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Sample records for comparative structural spectral

  1. [Comparative Study on the Molecular Structures and Spectral Properties of Ponceau 4R and Amaranth].

    PubMed

    Zhang, Yong; Chen, Guo-qing; Zhu, Chun; Hu, Yang-jun

    2015-11-01

    The Edinburgh FLS920P steady-instantaneous fluorescence spectrometer was applied on the detection of the absorption and the emission spectra of ponceau 4R and amaranth, which are isomers to each other. After that, the spectral parameters of them were compared. Then, the density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used on the optimization of ponceau 4R and amaranth under the ground and excited state, respectively, in order to compare the differences in configurations of them under different states. On the base of the results above, the absorption and emission spectra of the two isomers were calculated with TD-DFT, and the polarized continuum model (PCM) was applied on the base of 6-311++G (d, p). The fluorescence mechanism, the relationships between the properties of fluorescence spectra and the molecular geometry were all analyzed. The results shows that, the structures of the two molecules are non-planar, these two naphthalene rings are not co-planar, respectively, and there's hydrogen bond in amaranth. When the two isomers were on the ground state, the planarity of the naphthalene ring which exists the hydrogen bond mentioned above in amaranth is better than the corresponding part of ponceau 4R. The two isomers are nearly co-planar when they're on the excited state. The molecular structures of ponceau 4R and amaranth optimized above are basically reasonable, for the quantum chemistry calculation spectral results are agree with the experiments. The planarity of the naphthalene rings on the right side in ponceau 4R is worse than that in amaranth, the ponceau 4R molecule experienced more vibration and rotation from the excited to the ground state, lost more energy, which lead to the reduction of energy for emitting fluorescent photons. So ponceau 4R has longer fluorescence emission wave- length than amaranth. In this paper, the molecular structure information of ponceau 4R and amaranth were obtained, and the differences

  2. Non-traditional spectral clustering algorithms for the detection of community structure in complex networks: a comparative analysis

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoke; Gao, Lin

    2011-05-01

    The detection of community structure in complex networks is crucial since it provides insight into the substructures of the whole network. Spectral clustering algorithms that employ the eigenvalues and eigenvectors of an appropriate input matrix have been successfully applied in this field. Despite its empirical success in community detection, spectral clustering has been criticized for its inefficiency when dealing with large scale data sets. This is confirmed by the fact that the time complexity for spectral clustering is cubic with respect to the number of instances; even the memory efficient iterative eigensolvers, such as the power method, may converge slowly to the desired solutions. In efforts to improve the complexity and performance, many non-traditional spectral clustering algorithms have been proposed. Rather than using the real eigenvalues and eigenvectors as in the traditional methods, the non-traditional clusterings employ additional topological structure information characterized by the spectrum of a matrix associated with the network involved, such as the complex eigenvalues and their corresponding complex eigenvectors, eigenspaces and semi-supervised labels. However, to the best of our knowledge, no work has been devoted to comparison among these newly developed approaches. This is the main goal of this paper, through evaluating the effectiveness of these spectral algorithms against some benchmark networks. The experimental results demonstrate that the spectral algorithm based on the eigenspaces achieves the best performance but is the slowest algorithm; the semi-supervised spectral algorithm is the fastest but its performance largely depends on the prior knowledge; and the spectral method based on the complement network shows similar performance to the conventional ones.

  3. Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study

    PubMed Central

    Shawkataly, Omar bin; Goh, Chin-Ping; Tariq, Abu; Khan, Imthyaz Ahmad; Fun, Hoong-Kun; Rosli, Mohd Mustaqim

    2015-01-01

    A series of complexes of the type LAuCl where L = tris(p-tolylarsane), tris(m-tolylarsane), bis(diphenylarsano)ethane, and tris(naphthyl)arsane have been synthesized. All of the new complexes, 1-4, have been fully characterized by means of 1H NMR and 13C NMR spectroscopy and single crystal X-ray crystallography. The structures of complexes 1-4 have been determined from X-ray diffraction data. The linear molecules have an average bond distance between gold-arsenic and gold-chlorine of 2.3390Å and 2.2846Å, respectively. Aurophilic interaction was prominent in complex 1 and 3, whereas complex 2 and 4 do not show any such interaction. The intermolecular gold interaction bond length was affected by the electronegativity of the molecule. The computed values calculated at DFT level using B3LYP function are in good agreement with the experimental results. PMID:25798915

  4. Identification of structural and spectral features of synthesized cyano-stilbene dye derivatives: a comparative experimental and DFT study.

    PubMed

    Karabacak, M; Asiri, A M; Al-Youbi, A O; Qusti, A H; Cinar, M

    2014-01-01

    The synthesized three dye derivatives of cyano-stilbene monomer were identified by experimental spectroscopic techniques and density functional approach. The optimized geometrical structure, vibrational and electronic transitions along with the nonlinear optical (NLO) properties of those compounds were presented in this study. The vibrational spectra of investigated compounds were recorded in solid state with FT-IR and FT-Raman spectrometry in the range of 4000-400 cm(-1) and 3600-50 cm(-1), respectively. The theoretical ground state equilibrium conformations and vibrational wavenumbers were carried out by using density functional method with 6-311G(d,p) basis set. Assignments of the fundamental vibrational modes were examined on the basis of the measured data and total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method. The UV absorption spectra of monomers were observed in the range of 200-600 nm in chloroform, acetonitrile and toluene, and time dependent DFT method was used to obtain the electronic properties. The linear polarizability and first hyperpolarizability of the studied molecules indicates that the title compounds can be used as a good nonlinear optical material. A detailed description of spectroscopic behaviors of compounds was given based on the comparison of experimental measurements and theoretical computations. PMID:24177881

  5. Thematic Mapper Spectral Dimensionality and Data Structure

    NASA Technical Reports Server (NTRS)

    Crist, E. P.; Cicone, R. C.

    1985-01-01

    A simulated LANDSAT 4 TM and MSS data set, representing three crops over three growing seasons and a wide variety of soil types, was used to evaluate the structure of TM data and to compare its characteristics to those of MSS data. TM bands 2, 3, and 4, transformed to tasseled cap-like coordinates, provide an equivalent data space to MSS tasseled cap data, with greater dynamic range and no apparent loss of information resulting from the exclusion of the 0.9 to 1.1 micron region. Data from the six reflective TM bands (excluding the thermal band) primarily occupy two planes and a transition zone between them. The plane of vegetation is comparable to the MSS tasseled cap plane, while the plane of soils and transition zone provide a new dimension of information unavailable from the MSS. This added dimension offers promise of improved ability to determine the relative mix of vegetation and soil in the sensor field of view and to estimate soil moisture status. The improvement in spectral characteristics of the TM over the MSS, not to mention the greater spatial resolution, have resulted in a significant increase in the information content of the data.

  6. Spectral Response of Multilayer Optical Structures to Dynamic Loading

    NASA Astrophysics Data System (ADS)

    Scripka, David; Lecroy, Garrett; Lee, Gyuhyon; Sun, Changyan; Kang, Zhitao; Summers, Christopher J.; Thadhani, Naresh N.

    2015-06-01

    Distributed Bragg Reflectors and optical microcavities are multilayer optical structures with spectral properties that are intrinsically sensitive to external perturbations. With nanometer to micrometer dimensions and near instantaneous optical response, these structures show significant potential as the basis for mesoscale time-resolved diagnostics that can be used to probe the dynamic behavior of mesoscale heterogeneous materials. In order to characterize the optical and mechanical behavior of the multilayer structures, a coupled computational-experimental study is underway. A mechanistic analysis of the spectral response of the structures to dynamic loading will be presented, along with computational simulations illustrating the observable spectral effects of 1D shock compression. Results from fabrication of specific multilayer designs and initial laser-driven shock loading experiments will be shown and compared to the simulation results. Preliminary results indicate that the magnitude of dynamic loading can be directly correlated to the altered spectral response. Potential applications of the theoretical diagnostics and challenges associated with spatially resolved data collection methodology will also be discussed. DTRA grant HDTRA-1-12-1-0052 is acknowledged. David Scripka is supported by the Department of Defense through the National Defense Science and Engineering Graduate Fellowship Program.

  7. Instrumentation considerations in spectral imaging for tissue demarcation: comparing three methods of spectral resolution

    NASA Astrophysics Data System (ADS)

    Gebhart, Steven C.; Stokes, David L.; Vo-Dinh, Tuan; Mahadevan-Jansen, Anita

    2005-03-01

    Multiple methodologies exist to implement spectral imaging for tissue demarcation and disease diagnosis. In this paper, benchtop acousto-optic tunable filter (AOTF), liquid-crystal tunable filter (LCTF) and Fourier interferometric spectral imaging systems were quantitatively compared in terms of imaging speed of soft tissue autofluorescence. Optical throughput, image signal-to-noise ratio (SNR), and collagen autofluorescence imaging in chicken breast were assessed. Within this comparison, the Fourier system possessed the largest optical throughput (~50%) relative to the tunable-filter imaging systems; however, its throughput advantage failed to correlate to improved image SNR over the LCTF system. Further, while the autofluorescence imaging capability of the Fourier system exceeded that of the LCTF system for comparable total image integration times, the LCTF is capable of producing equivalent autofluorescence SNR with superior SNR when interrogations at only a few wavelengths are required and the random access filter tuning of the LCTF can be exploited. Therefore, the simple, rugged design and random-access filter-tuning capability of LCTF-based spectral imaging makes it best-suited for clinical development of soft tissue autofluorescence imaging.

  8. Spectrally formulated modeling of a cable-harnessed structure

    NASA Astrophysics Data System (ADS)

    Choi, Jiduck; Inman, Daniel J.

    2014-07-01

    To obtain predictive modeling of the spacecraft, we investigate the effects of adding cables to a simple structure with the goal of developing an understanding of the effects of cables interacting with a structure. In this paper, we present modeling of a cable-harnessed structure by means of the Spectral Element Method (SEM). A double beam model is used to emulate a cable-harnessed structure. SEM modeling can define the location and the number of connections between the two beams in a convenient fashion. The presented modeling is applied and compared with the conventional FEM. The modeling approach was compared and validated with experimental measurements. The validated modeling was implemented to investigate the effect of the number of connections and of the spring stiffness of interconnections. The results show that the proposed modeling can be used as an accurate and efficient solution methodology for a cable-harnessed structure.

  9. Spectral response of multilayer optical structures to dynamic mechanical loading

    NASA Astrophysics Data System (ADS)

    Scripka, David; LeCroy, Garrett; Summers, Christopher J.; Thadhani, Naresh N.

    2015-05-01

    A computational study of Distributed Bragg Reflectors (DBR) and Optical Microcavities (OMC) was conducted to ascertain their potential as time-resolved mesoscale sensors due to their unique structure-driven spectral characteristics. Shock wave propagation simulations of polymer-based DBRs and glass/ceramic-based OMCs were coupled with spectral response calculations to demonstrate the combined dynamic mechanical and spectral response of the structures. Clear spectral shifts in both structures are predicted as a function of dynamic loading magnitude. Potential applications of the structures include high spatial and temporal resolution surface maps of material states, and in-situ probing of material interfaces during dynamic loading.

  10. Spectral differences in real-space electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Jordan, D. K.; Mazziotti, D. A.

    2004-01-01

    Real-space grids for electronic structure calculations are efficient because the potential is diagonal while the second derivative in the kinetic energy may be sparsely evaluated with finite differences or finite elements. In applications to vibrational problems in chemical physics a family of methods known as spectral differences has improved finite differences by several orders of magnitude. In this paper the use of spectral differences for electronic structure is studied. Spectral differences are implemented in two electronic structure programs PARSEC and HARES which currently employ finite differences. Applications to silicon clusters and lattices indicate that spectral differences achieve the same accuracy as finite differences with less computational work.

  11. Passive Microwave Spectral Imaging of Amospheric Structure

    NASA Technical Reports Server (NTRS)

    Staelin, David H.; Rosenkranz, Philip W.

    1998-01-01

    The primary objective of this research was to improve the scientific foundation necessary to full realization of the meteorological potential of the NOAA Advanced Microwave Sounding Unit (AMSU) recently first launched on the NOAA-15 satellite in May, 1998. These advances were made in four main areas: (1) improvements, based on aircraft observations, in the atmospheric transmittance expressions used for interpreting AMSU and similar data; (2) development of neural network retrieval methods for cloud top altitude estimates of approximately 1-km accuracy under cirrus shields--the altitude is that of the larger ice particles aloft, which is related to precipitation rate; (3) analysis of early AMSU flight data with respect to its precipitation sensitivity and fine-scale thermal structure; and (4) improvements to the 54-GHz and 118-GHz MTS aircraft imaging spectrometer now operating on the NASA ER-2 aircraft. More specifically, the oxygen transmittance expressions near 118 GHz were in better agreement with aircraft data when the temperature dependence exponent of the 118.75-GHz linewidth was increased from the MPM92 value (Liebe et al., 1992) of 0.8 to 0.97+/-0.03. In contrast, the observations 52.5-55.8 GHz were consistent with the MPM92 model. Neural networks trained on comparisons of 118-GHz spectral data and coincident stereoscopic video images of convective cells observed from 20-km altitude yielded agreement in their peak altitudes within as little as 1.36 km rms, much of which is stereoscopic error. Imagery using these methods produced useful characterizations for Cyclone Oliver in 1993 and other storms (Schwartz et al., 1996; Spina et al., 1998). Similar neural network techniques yielded simulated rms errors in relative humidity retrievals of 6-14 percent over ocean and 6-15 percent over land at pressure levels from 1013 to 131 mbar (Cabrera-Mercader and Staelin, 1995).

  12. Spectral entropy criteria for structural segmentation in genomic DNA sequences

    NASA Astrophysics Data System (ADS)

    Chechetkin, V. R.; Lobzin, V. V.

    2004-07-01

    The spectral entropy is calculated with Fourier structure factors and characterizes the level of structural ordering in a sequence of symbols. It may efficiently be applied to the assessment and reconstruction of the modular structure in genomic DNA sequences. We present the relevant spectral entropy criteria for the local and non-local structural segmentation in DNA sequences. The results are illustrated with the model examples and analysis of intervening exon-intron segments in the protein-coding regions.

  13. Thematic Mapper Spectral Dimensionality and Data Structure

    NASA Technical Reports Server (NTRS)

    Crist, E. P.; Cicone, R. C.

    1984-01-01

    Thematic Mapper data, simulated from field and laboratory spectrometer measurements of a variety of agricultural crops and a wide range of soils, are analyzed to determine their dispersion in the six space defined by the reflective TM bands (i.e., excluding the thermal band). While similar analyses of MSS data from agricultural scenes show that the vast majority of the MSS data occupy a single plane, the simulated TM data primarily occupy three dimensions, defining two intersecting planes and a zone of transition between the two. Viewing the plane of Vegetation head on provides a projection comparable to the single plane of MSS data. The Plane of Soils and transition zone represent new information made available largely as a result of the longer infrared bands included in the Thematic Mapper. A transformation, named the Thematic Mapper Tasseled Cap, is presented which rotates the TM data such that the described data structure is most readily accessible to view.

  14. The 10 micron spectral structure in comets

    NASA Technical Reports Server (NTRS)

    Lynch, David K.; Russell, Ray W.; Campins, Humberto

    1989-01-01

    The 10 micron spectra of comets Halley (1982i), Wilson (1986l), Kohoutek (1973f) and Bradfield (1987s) are presented and compared. The silicate emission profiles of Halley and Bradfield are seen to be remarkably similar in that both contain a sharp break in the spectrum at 11.3 microns. Comet Bradfield does not show the same double peak structure seen in olivine and reported in Comet Halley be Campins and Ryan (1988) and Bregman, et al. (1987). The authors interpret the 11.3 micron signature as being due to olivine-type dust grains with at least some degree of crystallinity. Olivine alone is not enough to reproduce the shape of the 10 micron structure. However, in view of the authors' past success in fitting interstellar dust features with the emissivity profile obtained from amorphous grains produced by laser-vaporizing olivine, this is a very appealing identification. They note that there are significant variations in olivine spectra due to compositional differences, grain size distribution and related grain temperature variations to make the olivine identification tentative. They further tentatively identify the 9.8 micron feature in Halley as being due to either amorphorous olivine or a phyllosilicate (layer lattice). Neither the spectra of Halley, Kohoutek, nor Bradfield exhibited the 12.2 micron feature seen in Comet Wilson, which may prove diagnostic of the composition or thermal history differences between these comets. IR spectra of various mineral samples are discussed in terms of their match to cometary spectra.

  15. Spectral structure and stability studies on microstructure-fiber continuum

    NASA Astrophysics Data System (ADS)

    Gu, Xun; Kimmel, Mark; Zeek, Erik; Shreenath, Aparna P.; Trebino, Rick P.; Windeler, Robert S.

    2003-07-01

    Although previous direct measurements of the microstructure-fiber continuum have all showed a smooth and stable spectrum, our cross-correlation frequency-resolved optical gating (XFROG) full-intensity-and-phase characterization of the continuum pulse, utilizing sum-frequency-generation with a pre-characterized reference pulse and the angle-dithered-crystal technique, indicates that fine-scale spectral structure exists on a single-shot basis, contrary to previous observations. In particular, deep and fine oscillations are found in the retrieved spectrum, and the retrieved trace contains a "measles" pattern, whereas the measured trace and the independently-measured spectrum are rather smooth. The discrepancy is shown to be the result of unstable single-shot spectral structure. Although the XFROG measurement is not able to directly measure the single-shot fine structure in the trace, the redundancy of information in FROG traces enables the retrieval algorithm to correctly recognize the existence of the spectral fine structure, and restore the structure in the retrieved trace and spectrum. Numerical simulations have supported our hypothesis, and we directly observed the fine spectral structure in single-shot measurements of the continuum spectrum and the structure was seen to be highly unstable, the continuum spectrum appearing smooth only when many shots are averaged. Despite the structure and instability in the continuum spectrum, coherence experiments also reveal that the spectral phase is rather stable, being able to produce well-defined spectral fringes across the entire continuum bandwidth.

  16. A comparative study of the thematic mapper and Landsat spectral bands from field measurement data

    NASA Technical Reports Server (NTRS)

    Badhwar, G. D.; Henderson, K. E.

    1982-01-01

    Principal component and factor analysis techniques were applied to the spectral data collected over 27 field plots of various crops under varying agronomic conditions. The spectral data was integrated over the proposed thematic mapper bands and Landsat MSS spectral bands. The results were examined to compare the discrimination power of the thematic mapper. Previously announced in STAR as N81-33549

  17. Construction of an Ultrahigh Pressure Liquid Chromatography-Tandem Mass Spectral Library of Plant Natural Products and Comparative Spectral Analyses.

    PubMed

    Lei, Zhentian; Jing, Li; Qiu, Feng; Zhang, Hua; Huhman, David; Zhou, Zhiqin; Sumner, Lloyd W

    2015-07-21

    A plant natural product tandem mass spectral library has been constructed using authentic standards and purified compounds. Currently, the library contains 1734 tandem mass spectra for 289 compounds, with the majority (76%) of the compounds being plant phenolics such as flavonoids, isoflavonoids, and phenylpropanoids. Tandem mass spectra and chromatographic retention data were acquired on a triple quadrupole mass spectrometer coupled to an ultrahigh pressure liquid chromatograph using six different collision energies (CEs) (10-60 eV). Comparative analyses of the tandem mass spectral data revealed that the loss of ring substituents preceded the C-ring opening during the fragmentation of flavonoids and isoflavonoids. At lower CE (i.e., 10 and 20 eV), the flavonoids and isoflavonoid central ring structures typically remained intact, and fragmentation was characterized by the loss of the substituents (i.e., methyl and glycosyl groups). At higher CE, the flavonoid and isoflavonoid core ring systems underwent C-ring cleavage and/or rearrangement depending on the structure, particularly hydroxylation patterns. In-source electrochemical oxidation was observed for phenolics that had ortho-diphenol moieties (i.e., vicinal hydroxyl groups on the aromatic rings). The ortho-diphenols were oxidized to ortho-quinones, yielding an intensive and, in most cases, a base ion peak corresponding to a [(M - 2H) - H](-) ion in their mass spectra. The library also contains reverse-phase retention times, allowing for the construction, validation, and testing of an artificial neural network retention prediction of other flavonoids and isoflavonoids not contained within the library. The library is freely available for nonprofit, academic use and it can be downloaded at http://www.noble.org/apps/Scientific/WebDownloadManager/DownloadArea.aspx. PMID:26107650

  18. Comparative analysis of spectral coherence in microresonator frequency combs.

    PubMed

    Torres-Company, Victor; Castelló-Lurbe, David; Silvestre, Enrique

    2014-02-24

    Microresonator combs exploit parametric oscillation and nonlinear mixing in an ultrahigh-Q cavity. This new comb generator offers unique potential for chip integration and access to high repetition rates. However, time-domain studies reveal an intricate spectral coherence behavior in this type of platform. In particular, coherent, partially coherent or incoherent combs have been observed using the same microresonator under different pumping conditions. In this work, we provide a numerical analysis of the coherence dynamics that supports the above experimental findings and verify particular design rules to achieve spectrally coherent microresonator combs. A particular emphasis is placed in understanding the differences between so-called Type I and Type II combs. PMID:24663786

  19. Analysis of InAsSb nBn spectrally filtering photon-trapping structures.

    PubMed

    Schuster, Jonathan; D'Souza, Arvind; Bellotti, Enrico

    2014-08-11

    We have numerically analyzed the electromagnetic and electrical characteristics of InAsSb nBn infrared detectors employing a photon-trapping (PT) structure realized with a periodic array of pyramids intended to provide broadband operation. The three-dimensional numerical simulation model was verified by comparing the simulated dark current and quantum efficiency to experimental data. Then, the power and flexibility of the nBn PT design was used to engineer spectrally filtering PT structures. That is, detectors that have a predetermined spectral response to be more sensitive in certain spectral ranges and less sensitive in others. PMID:25320985

  20. Ion spectral structures observed by the Van Allen Probes

    NASA Astrophysics Data System (ADS)

    Ferradas, C.; Zhang, J.; Spence, H. E.; Kistler, L. M.; Larsen, B.; Reeves, G. D.; Skoug, R. M.; Funsten, H. O.

    2015-12-01

    During the last decades several missions have recorded the presence of dynamic spectral features of energetic ions in the inner magnetosphere. Previous studies have reported single "nose-like" structures occurring alone and simultaneous nose-like structures (up to three). These ion structures are named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. They constitute the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. The HOPE mass spectrometer onboard the Van Allen Probes measures energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet, where these ion structures are observed. We present a statistical study of nose-like structures, using 2-years measurements from the HOPE instrument. The results provide important details about the spatial distribution (dependence on geocentric distance), spectral features of the structures (differences among species), and geomagnetic conditions under which these structures occur.

  1. Statistical shape analysis of subcortical structures using spectral matching.

    PubMed

    Shakeri, Mahsa; Lombaert, Herve; Datta, Alexandre N; Oser, Nadine; Létourneau-Guillon, Laurent; Lapointe, Laurence Vincent; Martin, Florence; Malfait, Domitille; Tucholka, Alan; Lippé, Sarah; Kadoury, Samuel

    2016-09-01

    Studying morphological changes of subcortical structures often predicate neurodevelopmental and neurodegenerative diseases, such as Alzheimer's disease and schizophrenia. Hence, methods for quantifying morphological variations in the brain anatomy, including groupwise shape analyses, are becoming increasingly important for studying neurological disorders. In this paper, a novel groupwise shape analysis approach is proposed to detect regional morphological alterations in subcortical structures between two study groups, e.g., healthy and pathological subjects. The proposed scheme extracts smoothed triangulated surface meshes from segmented binary maps, and establishes reliable point-to-point correspondences among the population of surfaces using a spectral matching method. Mean curvature features are incorporated in the matching process, in order to increase the accuracy of the established surface correspondence. The mean shapes are created as the geometric mean of all surfaces in each group, and a distance map between these shapes is used to characterize the morphological changes between the two study groups. The resulting distance map is further analyzed to check for statistically significant differences between two populations. The performance of the proposed framework is evaluated on two separate subcortical structures (hippocampus and putamen). Furthermore, the proposed methodology is validated in a clinical application for detecting abnormal subcortical shape variations in Alzheimer's disease. Experimental results show that the proposed method is comparable to state-of-the-art algorithms, has less computational cost, and is more sensitive to small morphological variations in patients with neuropathologies. PMID:27025904

  2. Spectral evolution of pulse structures in gamma-ray bursts

    NASA Technical Reports Server (NTRS)

    Norris, J. P.; Share, G. H.; Messina, D. C.; Dennis, B. R.; Desai, U. D.; Cline, T. L.

    1986-01-01

    The Hard X-Ray Burst Spectrometer (HXRBS) and Gamma-Ray Spectrometer (GRS) data from the Solar Maximum Mission satellite have been searched for gamma-ray bursts with sufficient intensities and relatively simple time profiles such that their spectral behavior may be studied on a time scale of about 1 s. Ten such events were observed with the GRS experiment, and four of these were also detected within the HXRBS field of view. Details are presented for two moderately intense bursts with relatively simple structure. The spectral evolutions of the remaining events are summarized briefly. Results suggest a pattern in the spectral evolution within burst pulses: a tendency for the high-energy emission to lead the low-energy emission, in contrast to the correlation of intensity and spectral hardness reported by Golenetskii et al. (1983).

  3. Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds

    NASA Astrophysics Data System (ADS)

    Knyazev, Yu. V.; Lukoyanov, A. V.; Kuz'min, Yu. I.; Gupta, Sachin; Suresh, K. G.

    2016-04-01

    We report a joint experimental and theoretical investigation of optical properties and electronic structure of NdCuSi and GdCuSi compounds. Optical characteristics have been studied employing ellipsometry in a spectral range 0.22-15 μm. Spin-polarized calculations of the electronic structure have been performed using LSDA+U method accounting for electronic correlations in the 4f shell of rare earth elements. Additionally, we probe our electronic structures by calculating the interband optical conductivities and comparing them with spectral measurement. We find that all main features of the experimental curves have been qualitative interpreted using the calculated densities of states.

  4. Comparing passive and active hearing: spectral analysis of transient sounds in bats.

    PubMed

    Goerlitz, Holger R; Hübner, Mathias; Wiegrebe, Lutz

    2008-06-01

    In vision, colour constancy allows the evaluation of the colour of objects independent of the spectral composition of a light source. In the auditory system, comparable mechanisms have been described that allows the evaluation of the spectral shape of sounds independent of the spectral composition of ambient background sounds. For echolocating bats, the evaluation of spectral shape is vitally important both for the analysis of external sounds and the analysis of the echoes of self-generated sonar emissions. Here, we investigated how the echolocating bat Phyllostomus discolor evaluates the spectral shape of transient sounds both in passive hearing and in echolocation as a specialized mode of active hearing. Bats were trained to classify transients of different spectral shape as low- or highpass. We then assessed how the spectral shape of an ambient background noise influenced the spontaneous classification of the transients. In the passive-hearing condition, the bats spontaneously changed their classification boundary depending on the spectral shape of the background. In the echo-acoustic condition, the classification boundary did not change although the background- and spectral-shape manipulations were identical in the two conditions. These data show that auditory processing differs between passive and active hearing: echolocation represents an independent mode of active hearing with its own rules of auditory spectral analysis. PMID:18515714

  5. Spectral properties of a metal-dielectric sensor structure

    NASA Astrophysics Data System (ADS)

    Goldina, N. D.; Terent'ev, V. S.; Simonov, V. A.

    2016-05-01

    Numerical analysis of the spectral characteristics of a two-layer structure is performed in the processes of fabrication, measurement, and application of this structure as a sensor of the refractive index of the external medium. The effect of environmental conditions and parameters of the metal and dielectric layers on the sensor sensitivity is discussed. The results of model calculations are confirmed by experimental studies.

  6. Terahertz time-gated spectral imaging for content extraction through layered structures.

    PubMed

    Redo-Sanchez, Albert; Heshmat, Barmak; Aghasi, Alireza; Naqvi, Salman; Zhang, Mingjie; Romberg, Justin; Raskar, Ramesh

    2016-01-01

    Spatial resolution, spectral contrast and occlusion are three major bottlenecks for non-invasive inspection of complex samples with current imaging technologies. We exploit the sub-picosecond time resolution along with spectral resolution provided by terahertz time-domain spectroscopy to computationally extract occluding content from layers whose thicknesses are wavelength comparable. The method uses the statistics of the reflected terahertz electric field at subwavelength gaps to lock into each layer position and then uses a time-gated spectral kurtosis to tune to highest spectral contrast of the content on that specific layer. To demonstrate, occluding textual content was successfully extracted from a packed stack of paper pages down to nine pages without human supervision. The method provides over an order of magnitude enhancement in the signal contrast and can impact inspection of structural defects in wooden objects, plastic components, composites, drugs and especially cultural artefacts with subwavelength or wavelength comparable layers. PMID:27610926

  7. Dynamic Spectral Structure Specifies Vowels for Adults and Children

    PubMed Central

    Nittrouer, Susan; Lowenstein, Joanna H.

    2014-01-01

    The dynamic specification account of vowel recognition suggests that formant movement between vowel targets and consonant margins is used by listeners to recognize vowels. This study tested that account by measuring contributions to vowel recognition of dynamic (i.e., time-varying) spectral structure and coarticulatory effects on stationary structure. Adults and children (four-and seven-year-olds) were tested with three kinds of consonant-vowel-consonant syllables: (1) unprocessed; (2) sine waves that preserved both stationary coarticulated and dynamic spectral structure; and (3) vocoded signals that primarily preserved that stationary, but not dynamic structure. Sections of two lengths were removed from syllable middles: (1) half the vocalic portion; and (2) all but the first and last three pitch periods. Adults performed accurately with unprocessed and sine-wave signals, as long as half the syllable remained; their recognition was poorer for vocoded signals, but above chance. Seven-year-olds performed more poorly than adults with both sorts of processed signals, but disproportionately worse with vocoded than sine-wave signals. Most four-year-olds were unable to recognize vowels at all with vocoded signals. Conclusions were that both dynamic and stationary coarticulated structures support vowel recognition for adults, but children attend to dynamic spectral structure more strongly because early phonological organization favors whole words. PMID:25536845

  8. Smearing of Observables and Spectral Measures on Quantum Structures

    NASA Astrophysics Data System (ADS)

    Dvurečenskij, Anatolij

    2013-02-01

    An observable on a quantum structure is any σ-homomorphism of quantum structures from the Borel σ-algebra of the real line into the quantum structure which is in our case a monotone σ-complete effect algebra with the Riesz Decomposition Property. We show that every observable is a smearing of a sharp observable which takes values from a Boolean σ-subalgebra of the effect algebra, and we prove that for every element of the effect algebra there corresponds a spectral measure.

  9. Comprehensive spectral approach for community structure analysis on complex networks

    NASA Astrophysics Data System (ADS)

    Danila, Bogdan

    2016-02-01

    A simple but efficient spectral approach for analyzing the community structure of complex networks is introduced. It works the same way for all types of networks, by spectrally splitting the adjacency matrix into a "unipartite" and a "multipartite" component. These two matrices reveal the structure of the network from different perspectives and can be analyzed at different levels of detail. Their entries, or the entries of their lower-rank approximations, provide measures of the affinity or antagonism between the nodes that highlight the communities and the "gateway" links that connect them together. An algorithm is then proposed to achieve the automatic assignment of the nodes to communities based on the information provided by either matrix. This algorithm naturally generates overlapping communities but can also be tuned to eliminate the overlaps.

  10. Refining comparative proteomics by spectral counting to account for shared peptides and multiple search engines

    PubMed Central

    Chen, Yao-Yi; Dasari, Surendra; Ma, Ze-Qiang; Vega-Montoto, Lorenzo J.; Li, Ming

    2013-01-01

    Spectral counting has become a widely used approach for measuring and comparing protein abundance in label-free shotgun proteomics. However, when analyzing complex samples, the ambiguity of matching between peptides and proteins greatly affects the assessment of peptide and protein inventories, differentiation, and quantification. Meanwhile, the configuration of database searching algorithms that assign peptides to MS/MS spectra may produce different results in comparative proteomic analysis. Here, we present three strategies to improve comparative proteomics through spectral counting. We show that comparing spectral counts for peptide groups rather than for protein groups forestalls problems introduced by shared peptides. We demonstrate the advantage and flexibility of this new method in two datasets. We present four models to combine four popular search engines that lead to significant gains in spectral counting differentiation. Among these models, we demonstrate a powerful vote counting model that scales well for multiple search engines. We also show that semi-tryptic searching outperforms tryptic searching for comparative proteomics. Overall, these techniques considerably improve protein differentiation on the basis of spectral count tables. PMID:22552787

  11. Refining comparative proteomics by spectral counting to account for shared peptides and multiple search engines.

    PubMed

    Chen, Yao-Yi; Dasari, Surendra; Ma, Ze-Qiang; Vega-Montoto, Lorenzo J; Li, Ming; Tabb, David L

    2012-09-01

    Spectral counting has become a widely used approach for measuring and comparing protein abundance in label-free shotgun proteomics. However, when analyzing complex samples, the ambiguity of matching between peptides and proteins greatly affects the assessment of peptide and protein inventories, differentiation, and quantification. Meanwhile, the configuration of database searching algorithms that assign peptides to MS/MS spectra may produce different results in comparative proteomic analysis. Here, we present three strategies to improve comparative proteomics through spectral counting. We show that comparing spectral counts for peptide groups rather than for protein groups forestalls problems introduced by shared peptides. We demonstrate the advantage and flexibility of this new method in two datasets. We present four models to combine four popular search engines that lead to significant gains in spectral counting differentiation. Among these models, we demonstrate a powerful vote counting model that scales well for multiple search engines. We also show that semi-tryptic searching outperforms tryptic searching for comparative proteomics. Overall, these techniques considerably improve protein differentiation on the basis of spectral count tables. PMID:22552787

  12. Morphological, structural, and spectral characteristics of amorphous iron sulfates

    NASA Astrophysics Data System (ADS)

    Sklute, E. C.; Jensen, H. B.; Rogers, A. D.; Reeder, R. J.

    2015-04-01

    Current or past brine hydrologic activity on Mars may provide suitable conditions for the formation of amorphous ferric sulfates. Once formed, these phases would likely be stable under current Martian conditions, particularly at low- to mid-latitudes. Therefore, we consider amorphous iron sulfates (AIS) as possible components of Martian surface materials. Laboratory AIS were created through multiple synthesis routes and characterized with total X-ray scattering, thermogravimetric analysis, scanning electron microscopy, visible/near-infrared (VNIR), thermal infrared (TIR), and Mössbauer techniques. We synthesized amorphous ferric sulfates (Fe(III)2(SO4)3 · ~ 6-8H2O) from sulfate-saturated fluids via vacuum dehydration or exposure to low relative humidity (<11%). Amorphous ferrous sulfate (Fe(II)SO4 · ~ 1H2O) was synthesized via vacuum dehydration of melanterite. All AIS lack structural order beyond 11 Å. The short-range (<5 Å) structural characteristics of amorphous ferric sulfates resemble all crystalline reference compounds; structural characteristics for the amorphous ferrous sulfate are similar to but distinct from both rozenite and szomolnokite. VNIR and TIR spectral data for all AIS display broad, muted features consistent with structural disorder and are spectrally distinct from all crystalline sulfates considered for comparison. Mössbauer spectra are also distinct from crystalline phase spectra available for comparison. AIS should be distinguishable from crystalline sulfates based on the position of their Fe-related absorptions in the visible range and their spectral characteristics in the TIR. In the NIR, bands associated with hydration at ~1.4 and 1.9 µm are significantly broadened, which greatly reduces their detectability in soil mixtures. AIS may contribute to the amorphous fraction of soils measured by the Curiosity rover.

  13. [Comparative investigation of locust's phototactic visual spectrum effect and phototactic response to spectral illumination].

    PubMed

    Liu, Qi-Hang; Zhou, Qiang

    2014-07-01

    To provide theoretical support for determining locust's phototactic spectrum, and explore locust's phototactic mechanism stimulated by light, utilizing AvaSpec fiber-optic spectrometer system and AvaLight-DHS, the investigation of locust's phototactic visual spectrum effect after light energy stimulated locust's vision system was carried out and on this basis, utilizing the investigated device of locust's phototactic response to spectral illumination, the discrepancy of locust's phototactic response to spectral illumination was certificated comparatively. The results show that the degree of locust's vision system absorbing the single spectrum photon of 430, 545 and 610 nm is significant and there exists difference, and the behavioral response to orange, violet, green, and blue spectral light has the difference in selective sensitivity, with the intensity of response to violet light being the strongest. The degree of response to orange light is the maximum, simultaneously, locust's vision system absorbing spectral photon energy has selective difference and requirement of illumination time, moreover, the sensitive degree of locust's visual system to spectrum and the strength of the lighting energy, influencing locust's phototactic response degree, and the micro-response of locust's phototactic vision physiology, led by the photoelectric effect of locust absorbing sensitive photon and converting photon energy, is the reason for locust's phototactic orientation response. In addition, locust's phototactic visual spectrum effect, only when the biological photoelectric effect of locust's visual system is stimulated by spectral illumination, can present the sensitivity of the spectral absorption effect, so, using the stronger ultraviolet stimulation characteristic of violet light, the different sensitive stimulation of orange, green, blue spectral light on locust's phototactic vision, and combining orange, violet, green, blue spectral light field mechanism reasonably, can

  14. Urban, Forest, and Agricultural AIS Data: Fine Spectral Structure

    NASA Technical Reports Server (NTRS)

    Vanderbilt, V. C.

    1985-01-01

    Spectra acquired by the Airborne Imaging Spectrometer (AIS) near Lafayette, IN, Ely, MN, and over the Stanford University campus, CA were analyzed for fine spectral structure using two techniques: the ratio of radiance of a ground target to the radiance of a standard and also the correlation coefficient of radiances at adjacent wavelengths. The results show ramp like features in the ratios. These features are due to the biochemical composition of the leaf and to the optical scattering properties of its cuticle. The size and shape of the ramps vary with ground cover.

  15. Comparative study on the spectral properties of boron clusters Bn0/−1(n = 38–40)

    PubMed Central

    Li, Shixiong; Zhang, Zhengping; Long, Zhengwen; Sun, Guangyu; Qin, Shuijie

    2016-01-01

    The all-boron fullerenes B40−1 and B39−1 discovered in recent experiments are characterized and revealed using photoelectron spectroscopy. Except for the photoelectron spectroscopy, one may identify such boron clusters with other spectroscopic techniques, such as infrared spectra and Raman spectra. Insight into the spectral properties of boron clusters is important to understand the boron clusters and find their potential applications. In this work, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to comparatively study the vibrational frequencies, infrared spectra, Raman spectra and electronic absorption spectra of boron clusters Bn0/−1(n = 38–40). The numerical simulations show that such boron clusters have different and meaningful spectral features. These spectral features are readily compared with future spectroscopy measurements and can be used as fingerprints to distinguish the boron clusters Bn0/−1 with different structures (cage structure or quasi-planar structure) and with different sizes (n = 38–40). PMID:27113504

  16. Comparative study on the spectral properties of boron clusters Bn(0/-1)(n = 38-40).

    PubMed

    Li, Shixiong; Zhang, Zhengping; Long, Zhengwen; Sun, Guangyu; Qin, Shuijie

    2016-01-01

    The all-boron fullerenes B40(-1) and B39(-1) discovered in recent experiments are characterized and revealed using photoelectron spectroscopy. Except for the photoelectron spectroscopy, one may identify such boron clusters with other spectroscopic techniques, such as infrared spectra and Raman spectra. Insight into the spectral properties of boron clusters is important to understand the boron clusters and find their potential applications. In this work, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to comparatively study the vibrational frequencies, infrared spectra, Raman spectra and electronic absorption spectra of boron clusters Bn(0/-1)(n = 38-40). The numerical simulations show that such boron clusters have different and meaningful spectral features. These spectral features are readily compared with future spectroscopy measurements and can be used as fingerprints to distinguish the boron clusters Bn(0/-1) with different structures (cage structure or quasi-planar structure) and with different sizes (n = 38-40). PMID:27113504

  17. Comparative study on the spectral properties of boron clusters Bn0/‑1(n = 38–40)

    NASA Astrophysics Data System (ADS)

    Li, Shixiong; Zhang, Zhengping; Long, Zhengwen; Sun, Guangyu; Qin, Shuijie

    2016-04-01

    The all-boron fullerenes B40‑1 and B39‑1 discovered in recent experiments are characterized and revealed using photoelectron spectroscopy. Except for the photoelectron spectroscopy, one may identify such boron clusters with other spectroscopic techniques, such as infrared spectra and Raman spectra. Insight into the spectral properties of boron clusters is important to understand the boron clusters and find their potential applications. In this work, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to comparatively study the vibrational frequencies, infrared spectra, Raman spectra and electronic absorption spectra of boron clusters Bn0/‑1(n = 38–40). The numerical simulations show that such boron clusters have different and meaningful spectral features. These spectral features are readily compared with future spectroscopy measurements and can be used as fingerprints to distinguish the boron clusters Bn0/‑1 with different structures (cage structure or quasi-planar structure) and with different sizes (n = 38–40).

  18. SOLAR RADIO BURSTS WITH SPECTRAL FINE STRUCTURES IN PREFLARES

    SciTech Connect

    Zhang, Yin; Tan, Baolin; Huang, Jing; Tan, Chengming; Karlický, Marian; Mészárosová, Hana; Simões, Paulo J.A.

    2015-01-20

    Good observations of preflare activities are important for us to understand the origin and triggering mechanism of solar flares, and to predict the occurrence of solar flares. This work presents the characteristics of microwave spectral fine structures as preflare activities of four solar flares observed by the Ondřejov radio spectrograph in the frequency range of 0.8-2.0 GHz. We found that these microwave bursts which occurred 1-4 minutes before the onset of flares have spectral fine structures with relatively weak intensities and very short timescales. They include microwave quasi-periodic pulsations with very short periods of 0.1-0.3 s and dot bursts with millisecond timescales and narrow frequency bandwidths. Accompanying these microwave bursts are filament motions, plasma ejection or loop brightening in the EUV imaging observations, and non-thermal hard X-ray emission enhancements observed by RHESSI. These facts may reveal certain independent, non-thermal energy releasing processes and particle acceleration before the onset of solar flares. They may help us to understand the nature of solar flares and to predict their occurrence.

  19. Zebra spectral structures in Jovian decametric radio emissions

    NASA Astrophysics Data System (ADS)

    Rošker, S.; Panchenko, M.; Rucker, H. O.; Brazhenko, A. I.

    2015-10-01

    Jupiter with the largest planetary magnetosphere in the solar system emits intense coherent non-thermal radiation in a wide frequency range. This emission is a result of complicated interactions between the dynamic Jovian magnetosphere and energetic particles supplying free energy from planetary rotation and the interaction between Jupiter and the Galilean moon Io. Decametric radio emission (DAM) is the strongest component of Jovian radiation observed in a frequency range from a few MHz up to 40 MHz. Depending on the time scales the Jovian DAM exhibits different complex spectral structures. Recent observations of the Jovian decametric radio emission using the large ground-based radio telescope URAN-2 (Poltava, Ukraine) enabled the detection of fine spectral structures, specifically zebra stripe-like patterns, never reported before in the Jovian decametric wavelength regime (Figure 1). In this presentation we describe and analyse these new observations by investigating the characteristics of the Jovian decametric zebra patterns. On basis of these findings the possible mechanism of wave generation is discussed and in particular the value of the determination of local plasma densities within the Jovian magnetosphere by remote radio sensing is emphasized.

  20. Dynamic spectral structure specifies vowels for children and adultsa

    PubMed Central

    Nittrouer, Susan

    2008-01-01

    When it comes to making decisions regarding vowel quality, adults seem to weight dynamic syllable structure more strongly than static structure, although disagreement exists over the nature of the most relevant kind of dynamic structure: spectral change intrinsic to the vowel or structure arising from movements between consonant and vowel constrictions. Results have been even less clear regarding the signal components children use in making vowel judgments. In this experiment, listeners of four different ages (adults, and 3-, 5-, and 7-year-old children) were asked to label stimuli that sounded either like steady-state vowels or like CVC syllables which sometimes had middle sections masked by coughs. Four vowel contrasts were used, crossed for type (front/back or closed/open) and consonant context (strongly or only slightly constraining of vowel tongue position). All listeners recognized vowel quality with high levels of accuracy in all conditions, but children were disproportionately hampered by strong coarticulatory effects when only steady-state formants were available. Results clarified past studies, showing that dynamic structure is critical to vowel perception for all aged listeners, but particularly for young children, and that it is the dynamic structure arising from vocal-tract movement between consonant and vowel constrictions that is most important. PMID:17902868

  1. Photon counting spectral CT versus conventional CT: comparative evaluation for breast imaging application

    NASA Astrophysics Data System (ADS)

    Shikhaliev, Polad M.; Fritz, Shannon G.

    2011-04-01

    Spectral CT systems with photon counting detectors have more advantages compared to conventional CT systems. However, clinical applications have been hampered for a long time due to the high demands of clinical systems and limitations of spectroscopic x-ray detectors. Photon counting detector technology has gained considerable improvements in the past decade, and spectral CT has become a hot topic. Several experimental spectral CT systems are under investigation. The purpose of this work was to perform the first direct, side-by-side comparison of existing spectral CT technology with a mature clinical CT system based on a conventional energy integrating detector. We have built an experimental spectral CT system whose main parameters are similar to the parameters of a clinical CT system. The system uses a spectroscopic cadmium zinc telluride (CZT) detector. The detector includes two rows of CZT pixels with 256 pixels in each row. The pixel size is 1 × 1 mm2, and the maximum count rate is 2 Mcounts/pixel/s. The spectral CT system has a magnification factor of 1.62 and the source to detector and source to image distances of 85 and 53 cm, respectively. The above parameters are similar to those of the clinical CT system, Siemens Sensation 16, used for comparison. The two systems were compared by imaging spatial resolution and contrast resolution phantoms made from acrylic cylinders with 14 cm diameters. The resolution phantom included Al wires with 0.3, 0.6, and 1 mm diameters, and 0.25 g cc-1 CaCO3 contrast. The contrast phantom included contrast elements with 1.7, 5, and 15 mg cc-1 iodine, and 1.1, 3.3, and 10 mg cc-1 gadolinium. The phantoms were imaged with the two systems using 120 kVp tube voltage and 470 mR total skin exposure. The spectral CT showed CT numbers, image noise, and spatial and contrast resolutions to be similar within 10% compared to the Siemens 16 system, and provided an average of 10% higher CNR. However, the spectral CT system had a major

  2. Community structure from spectral properties in complex networks

    NASA Astrophysics Data System (ADS)

    Servedio, V. D. P.; Colaiori, F.; Capocci, A.; Caldarelli, G.

    2005-06-01

    We analyze the spectral properties of complex networks focusing on their relation to the community structure, and develop an algorithm based on correlations among components of different eigenvectors. The algorithm applies to general weighted networks, and, in a suitably modified version, to the case of directed networks. Our method allows to correctly detect communities in sharply partitioned graphs, however it is useful to the analysis of more complex networks, without a well defined cluster structure, as social and information networks. As an example, we test the algorithm on a large scale data-set from a psychological experiment of free word association, where it proves to be successful both in clustering words, and in uncovering mental association patterns.

  3. Comparing spatial tuning curves, spectral ripple resolution, and speech perception in cochlear implant users

    PubMed Central

    Anderson, Elizabeth S.; Nelson, David A.; Kreft, Heather; Nelson, Peggy B.; Oxenham, Andrew J.

    2011-01-01

    Spectral ripple discrimination thresholds were measured in 15 cochlear-implant users with broadband (350–5600 Hz) and octave-band noise stimuli. The results were compared with spatial tuning curve (STC) bandwidths previously obtained from the same subjects. Spatial tuning curve bandwidths did not correlate significantly with broadband spectral ripple discrimination thresholds but did correlate significantly with ripple discrimination thresholds when the rippled noise was confined to an octave-wide passband, centered on the STC’s probe electrode frequency allocation. Ripple discrimination thresholds were also measured for octave-band stimuli in four contiguous octaves, with center frequencies from 500 Hz to 4000 Hz. Substantial variations in thresholds with center frequency were found in individuals, but no general trends of increasing or decreasing resolution from apex to base were observed in the pooled data. Neither ripple nor STC measures correlated consistently with speech measures in noise and quiet in the sample of subjects in this study. Overall, the results suggest that spectral ripple discrimination measures provide a reasonable measure of spectral resolution that correlates well with more direct, but more time-consuming, measures of spectral resolution, but that such measures do not always provide a clear and robust predictor of performance in speech perception tasks. PMID:21786905

  4. Structural and Spectral Characteristics of Amorphous Iron Sulfates

    NASA Astrophysics Data System (ADS)

    Sklute, E.; Jensen, H. B.; Rogers, D.; Reeder, R. J.

    2014-12-01

    Substantial evidence points to the existence of hydrated sulfate phases on the Martian surface1-3. In addition, the discovery of recurring slope lineae could point to an active brine hydrologic cycle on the surface4,5. The rapid dehydration of both hydrated sulfates and sulfate-rich brines can lead to the formation of amorphous sulfates. Evidence suggests that the Rocknest soil target and the Sheepbed mudstone interrogated by the Mars Science Laboratory at Gale crater contain ~30 wt.% XRD amorphous material that is rich in both sulfur and iron6. These factors have led us to consider hydrated amorphous iron sulfates as possible components in Martian surface materials. Amorphous iron sulfates were created through multiple synthesis routes, and then characterized with total x-ray scattering, TGA, SEM, visible/near-infrared (VNIR), thermal infrared (TIR), and Mössbauer techniques. We synthesized amorphous ferric sulfates (Fe(III)2(SO4)3•~5-8H2O) from sulfate-saturated fluids via two pathways: vacuum dehydration and exposure to low relative humidity (<11%) using a LiCl buffer. Amorphous ferrous sulfate (Fe(II)SO4•~1H2O) was synthesized via vacuum dehydration of melanterite (Fe(II) SO4•7H2O). We find that both the ferric and ferrous sulfates synthesized from these methods lack long-range (>10Å) order, and thus are truly amorphous. VNIR and TIR spectral data for the amorphous sulfates display broad, muted features consistent with structural disorder and are spectrally distinct from all crystalline sulfates considered for comparison. Mössbauer spectra are also distinct from all crystalline phase spectra available for comparison. The amorphous sulfates should be distinguishable based on the position of their Fe-related absorptions in the visible range and their spectral characteristics in the TIR. In the NIR, which is the spectral range that has primarily been used to detect sulfates on Mars, the bands associated with hydration at ~1.4 and 1.9 μm are significantly

  5. Structural Documentation of Glycan Epitopes: Sequential Mass Spectrometry and Spectral Matching

    NASA Astrophysics Data System (ADS)

    Ashline, David J.; Hanneman, Andrew J. S.; Zhang, Hailong; Reinhold, Vernon N.

    2014-03-01

    Documenting mass spectral data is a fundamental aspect of accepted protocols. In this report, we contrast MSn sequential disassembly spectra obtained from natural and synthetic glycan epitopes. The epitopes considered are clusters found on conjugate termini of lipids and N- and O-glycans of proteins. The latter are most frequently pendant through a CID-labile HexNAc glycosidic linkage. The synthetic samples were supplied by collaborating colleagues and commercial sources and usually possessed a readily released reducing-end linker, a by-product of synthesis. All samples were comparably methylated, extracted, and MSn disassembled to compare their linkage and branching spectral details. Both sample types provide B-ion type fragments early in a disassembly pathway and their compositions are a suggestion of structure. Further steps of disassembly are necessary to confirm the details of linkage and branching. Included in this study were various Lewis and H antigens, 3- and 6-linked sialyl-lactosamine, NeuAc-2,8-NeuAc dimer, and Galα1,3Gal. Sample infusion provided high quality spectral data whereas disassembly to small fragments generates reproducible high signal/noise spectra for spectral matching. All samples were analyzed as sodium adducted positive ions. This study includes comparability statistics and evaluations on several mass spectrometers.

  6. Comparing auditory filter bandwidths, spectral ripple modulation detection, spectral ripple discrimination, and speech recognition: Normal and impaired hearinga)

    PubMed Central

    Davies-Venn, Evelyn; Nelson, Peggy; Souza, Pamela

    2015-01-01

    Some listeners with hearing loss show poor speech recognition scores in spite of using amplification that optimizes audibility. Beyond audibility, studies have suggested that suprathreshold abilities such as spectral and temporal processing may explain differences in amplified speech recognition scores. A variety of different methods has been used to measure spectral processing. However, the relationship between spectral processing and speech recognition is still inconclusive. This study evaluated the relationship between spectral processing and speech recognition in listeners with normal hearing and with hearing loss. Narrowband spectral resolution was assessed using auditory filter bandwidths estimated from simultaneous notched-noise masking. Broadband spectral processing was measured using the spectral ripple discrimination (SRD) task and the spectral ripple depth detection (SMD) task. Three different measures were used to assess unamplified and amplified speech recognition in quiet and noise. Stepwise multiple linear regression revealed that SMD at 2.0 cycles per octave (cpo) significantly predicted speech scores for amplified and unamplified speech in quiet and noise. Commonality analyses revealed that SMD at 2.0 cpo combined with SRD and equivalent rectangular bandwidth measures to explain most of the variance captured by the regression model. Results suggest that SMD and SRD may be promising clinical tools for diagnostic evaluation and predicting amplification outcomes. PMID:26233047

  7. Comparative Protein Structure Modeling Using Modeller

    PubMed Central

    Eswar, Narayanan; Marti-Renom, Marc A.; Madhusudhan, M.S.; Eramian, David; Shen, Min-yi; Pieper, Ursula

    2014-01-01

    Functional characterization of a protein sequence is one of the most frequent problems in biology. This task is usually facilitated by accurate three-dimensional (3-D) structure of the studied protein. In the absence of an experimentally determined structure, comparative or homology modeling can sometimes provide a useful 3-D model for a protein that is related to at least one known protein structure. Comparative modeling predicts the 3-D structure of a given protein sequence (target) based primarily on its alignment to one or more proteins of known structure (templates). The prediction process consists of fold assignment, target-template alignment, model building, and model evaluation. This unit describes how to calculate comparative models using the program MODELLER and discusses all four steps of comparative modeling, frequently observed errors, and some applications. Modeling lactate dehydrogenase from Trichomonas vaginalis (TvLDH) is described as an example. The download and installation of the MODELLER software is also described. PMID:18428767

  8. Spectral analysis and structure preserving preconditioners for fractional diffusion equations

    NASA Astrophysics Data System (ADS)

    Donatelli, Marco; Mazza, Mariarosa; Serra-Capizzano, Stefano

    2016-02-01

    Fractional partial order diffusion equations are a generalization of classical partial differential equations, used to model anomalous diffusion phenomena. When using the implicit Euler formula and the shifted Grünwald formula, it has been shown that the related discretizations lead to a linear system whose coefficient matrix has a Toeplitz-like structure. In this paper we focus our attention on the case of variable diffusion coefficients. Under appropriate conditions, we show that the sequence of the coefficient matrices belongs to the Generalized Locally Toeplitz class and we compute the symbol describing its asymptotic eigenvalue/singular value distribution, as the matrix size diverges. We employ the spectral information for analyzing known methods of preconditioned Krylov and multigrid type, with both positive and negative results and with a look forward to the multidimensional setting. We also propose two new tridiagonal structure preserving preconditioners to solve the resulting linear system, with Krylov methods such as CGNR and GMRES. A number of numerical examples show that our proposal is more effective than recently used circulant preconditioners.

  9. Tunable filter comparator for spectral calibration of near-ambient temperature blackbodies

    NASA Astrophysics Data System (ADS)

    Khromchenko, V. B.; Mekhontsev, S. N.; Hanssen, L. M.

    2007-09-01

    The calibration of infrared (IR) radiometers, thermal imagers and electro-optical systems relies on use of extended area blackbodies (BB) operating in the ambient environment. "Flat plate" designs, typically using a thermoelectric heat pump backed with an air- or liquid-cooled radiator, allow one to adequately meet the requirements of geometrical size and temperature span. The tradeoff comes in the form of limited temperature uniformity and lower emissivity that such an approach can provide given the limitations in achievable thermal conductivity of the plate and reflectance of the black paint, respectively. The availability of spectrally resolved radiance temperature data for infrared calibrators has become especially vital in the last few years with the widespread use of multi- and hyper-spectral electro-optical systems that enable better detection and identification of targets. In an effort to increase the measurement accuracy of IR spectral radiance of near-ambient BB calibrators, NIST has recently built a dedicated capability which is a part of its new AIRI (Advanced Infrared Radiometry and Imaging) facility. The Tunable Filter Comparator (TFC) is a key new element in this setup, allowing us to perform a precise comparison of the unit under test (UUT) with two reference blackbodies of known temperatures and emissivity. The report describes the major design features of the TFC comparator, the algorithm used for signal processing, and results of a performance evaluation of the TFC. The TFC development has enabled us to achieve BB radiance temperature comparisons with a standard deviation of 5 to 15 mK at temperatures of 15-150 C across the 3 to 5 µm and 8 to 12 µm atmospheric band ranges with a relative spectral resolution of 2 to 3%.

  10. Structural investigations of human hairs by spectrally resolved ellipsometry

    NASA Astrophysics Data System (ADS)

    Schulz, Benjamin; Chan, D.; Ruebhausen, M.; Wessel, S.; Wepf, R.

    2006-03-01

    Human hair is a biological layered system composed of two major layers, the cortex and the cuticle. We show spectrally resolved ellipsometry measurements of the ellipsometric parameters ψ and δ of single human hairs. The spectra reflect the layered nature of hair and the optical anisotropy of the hair’s structure. In addition, measurements on strands of human hair show a high reproducibility of the ellipsometric parameters for different hair fiber bundles from the same person. Based on the measurements, we develop a model of the dielectric function of hair that explains the spectra. This model includes the dielectric properties of the cuticle and cortex as well as their associated layer thicknesses. In addition, surface roughness effects modelled by a roughness layer with an complex refractive index given by an effective medium approach can have a significant effect on the measurements. We derive values for the parameters of the cuticle surface roughness layer of the thickness dACu= 273-360 nm and the air inclusion fA= 0.6 -5.7%. [1] accepted for publication in J. Biomed Opt., 2005

  11. Spectral control of spin qubits in diamond photonic structures

    NASA Astrophysics Data System (ADS)

    Acosta, Victor; Santori, Charles; Faraon, Andrei; Huang, Zhihong; Beausoleil, Raymond

    2012-06-01

    Integrated photonic networks based on cavity-coupled spin impurities offer a promising platform for scalable quantum computing. A key ingredient for this technology involves heralding entanglement by interfering indistinguishable photons emitted by pairs of identical spin qubits. The nitrogen-vacancy (NV) center in diamond is an attractive candidate for such a spin-photon interface, as it exhibits long-lived electronic spin coherence, rapid spin manipulation and readout, and the coexistence of both robust cycling and spin-altering Lambda-type transitions. We discuss current research in our lab to control the spectral properties of single NV centers by dynamic Stark tuning [1] and cavity Purcell enhancement [2]. In particular, we report progress on fabricating photonic structures in ultra-pure diamond, where NV centers are likely to have favorable optical properties. [4pt] [1] V. M. Acosta et al., Dynamic stabilization of the optical resonances of single nitrogen-vacancy centers in diamond, arXiv:1112.5490v1 [quant-ph]. [0pt] [2] A. Faraon et al., Coupling of nitrogen-vacancy centers to photonic crystal cavities in monocrystalline diamond, Submitted.

  12. Structure and spectral properties of truxene dye S5

    NASA Astrophysics Data System (ADS)

    Baryshnikov, G. V.; Minaev, B. F.; Minaeva, V. A.; Ning, Z.; Zhang, Q.

    2012-02-01

    On the ground of functional theory with the B3LYP and BMK functionals, we have studied the structure and optical properties of a truxene dye sensitizer S5 for photoelectric transducers. Based on the calculations of the vertical excitations energy of the dye molecule and accounting the influence of the solvent, we have revealed a positive solvatochromic effect that is weak compared to results obtained in the vacuum approximation. We have studied new features describing stabilization of the planar structure of the cyanothiophene-acrylic fragment of the S5 dye.

  13. Comparing spectral resolvability in chinchillas and human listeners using phase discrimination

    NASA Astrophysics Data System (ADS)

    Shofner, William P.; Sparks, Kathryn; Wu, Yuanxing Esther; Pham, Ellen

    2001-05-01

    A tone complex made of harmonic components that are added in cosine-starting phase can be discriminated from complexes comprised of identical harmonics that are added with random-starting phases. Phase discrimination occurs when unresolved harmonics interact within a single auditory channel. When harmonics are resolved, there is less interaction among components resulting in poorer phase discrimination performance. Thus, phase discrimination indirectly reflects spectral resolvability. Performance in a phase discrimination task was measured in chinchillas and human listeners to compare spectral resolvability between the two groups. Subjects discriminated a cosine-phase tone complex from random-phase tone complexes in a go/no-go behavioral paradigm. Tone complexes were comprised of a 250-Hz fundamental frequency and N consecutive higher harmonics, where N was 5, 10, 20, and 40. Performance was evaluated in terms of d'. The results show that the measured d' increased as N increased, and values of d' for each N condition were similar between chinchillas and human listeners. Values of the criterion for each N condition were also similar between chinchillas and humans. The results do not support the hypothesis that spectral resolvability is poorer in chinchillas, but suggest that resolvability is similar between the two groups. [Work supported by NIH/NIDCD.

  14. A comparative study of rhodopsin function in the great bowerbird (Ptilonorhynchus nuchalis): Spectral tuning and light-activated kinetics.

    PubMed

    van Hazel, Ilke; Dungan, Sarah Z; Hauser, Frances E; Morrow, James M; Endler, John A; Chang, Belinda S W

    2016-07-01

    Rhodopsin is the visual pigment responsible for initiating the phototransduction cascade in vertebrate rod photoreceptors. Although well-characterized in a few model systems, comparative studies of rhodopsin function, particularly for nonmammalian vertebrates are comparatively lacking. Bowerbirds are rare among passerines in possessing a key substitution, D83N, at a site that is otherwise highly conserved among G protein-coupled receptors. While this substitution is present in some dim-light adapted vertebrates, often accompanying another unusual substitution, A292S, its functional relevance in birds is uncertain. To investigate functional effects associated with these two substitutions, we use the rhodopsin gene from the great bowerbird (Ptilonorhynchus nuchalis) as a background for site-directed mutagenesis, in vitro expression and functional characterization. We also mutated these sites in two additional rhodopsins that do not naturally possess N83, chicken and bovine, for comparison. Both sites were found to contribute to spectral blue-shifts, but had opposing effects on kinetic rates. Substitutions at site 83 were found to primarily affect the kinetics of light-activated rhodopsin, while substitutions at site 292 had a larger impact on spectral tuning. The contribution of substitutions at site 83 to spectral tuning in particular depended on genetic background, but overall, the effects of substitutions were otherwise surprisingly additive, and the magnitudes of functional shifts were roughly similar across all three genetic backgrounds. By employing a comparative approach with multiple species, our study provides new insight into the joint impact of sites 83 and 292 on rhodopsin structure-function as well as their evolutionary significance for dim-light vision across vertebrates. PMID:26889650

  15. Comparative study of the photopic spectral sensitivity of domestic ducks (Anas platyrhynchos domesticus), turkeys (Meleagris gallopavo gallopavo) and humans.

    PubMed

    Barber, C L; Prescott, N B; Jarvis, J R; Le Sueur, C; Perry, G C; Wathes, C M

    2006-06-01

    1. The photopic spectral sensitivity of domestic ducks and turkeys was determined using an operant psychophysical technique. Spectral sensitivity was determined over a range of specified wavelengths, including UVA, between 326 < lambda < 694 nm and the results were directly compared with human spectral sensitivity measured under similar experimental conditions. 2. Domestic ducks and turkeys had similar spectral sensitivities to each other, and could perceive UVA radiation, although turkeys were more sensitive to UVA than ducks. For both species, peak sensitivity was between 544 < lambda < 577 nm, with reduced sensitivity at lambda = 508 and 600 nm. Both ducks and turkeys had a very different and broader range of spectral sensitivity than the human subjects tested. 3. Spectral sensitivity and UVA perception in these avian species are discussed in relation to their visual ecology and the mechanisms controlling neural processing of colour information. PMID:16787862

  16. A modular approach to the analytic calculation of spectral phase for grisms and other refractive/diffractive structures.

    PubMed

    Durfee, Charles G; Squier, Jeff A; Kane, Steve

    2008-10-27

    Analytic expressions for spectral phase for optical systems are very important for the design of wide-bandwidth optical systems. We describe a general formalism for analytically calculating the spectral phase for arbitrary optical structure made up of nested pairs of plane-parallel interfaces that can be diffractive or refractive. Our primary application is the calculation of the spectral phase of a grism pair, which is then used to analyze the behavior of higher-order phase terms. The analytic expressions for the grism spectral phase provide insight into the tunability of the third-order phase of grisms as well as the fourth-order limits. Our exact and approximate expressions are compared with a raytracing model. PMID:18958079

  17. Structural and spectral comparisons between isomeric benzisothiazole and benzothiazole based aromatic heterocyclic dyes

    NASA Astrophysics Data System (ADS)

    Wang, Yin-Ge; Wang, Yue-Hua; Tao, Tao; Qian, Hui-Fen; Huang, Wei

    2015-09-01

    A pair of isomeric heterocyclic compounds, namely 3-amino-5-nitro-[2,1]-benzisothiazole and 2-amino-6-nitrobenzothiazole, are used as the diazonium components to couple with two N-substituted 4-aminobenzene derivatives. As a result, two pairs of isomeric aromatic heterocyclic azo dyes have been produced and they are structurally and spectrally characterized and compared including single-crystal structures, electronic spectra, solvatochromism and reversible acid-base discoloration, thermal stability and theoretically calculations. It is concluded that both benzisothiazole and benzothiazole based dyes show planar molecular structures and offset π-π stacking interactions, solvatochromism and reversible acid-base discoloration. Furthermore, benzisothiazole based aromatic heterocyclic dyes exhibit higher thermal stability, larger solvatochromic effects and maximum absorption wavelengths than corresponding benzothiazole based ones, which can be explained successfully by the differences of their calculated isomerization energy, dipole moment and molecular band gaps.

  18. Structural templates for comparative protein docking

    PubMed Central

    Anishchenko, Ivan; Kundrotas, Petras J.; Tuzikov, Alexander V.; Vakser, Ilya A.

    2014-01-01

    Structural characterization of protein-protein interactions is important for understanding life processes. Because of the inherent limitations of experimental techniques, such characterization requires computational approaches. Along with the traditional protein-protein docking (free search for a match between two proteins), comparative (template-based) modeling of protein-protein complexes has been gaining popularity. Its development puts an emphasis on full and partial structural similarity between the target protein monomers and the protein-protein complexes previously determined by experimental techniques (templates). The template-based docking relies on the quality and diversity of the template set. We present a carefully curated, non-redundant library of templates containing 4,950 full structures of binary complexes and 5,936 protein-protein interfaces extracted from the full structures at 12Å distance cut-off. Redundancy in the libraries was removed by clustering the PDB structures based on structural similarity. The value of the clustering threshold was determined from the analysis of the clusters and the docking performance on a benchmark set. High structural quality of the interfaces in the template and validation sets was achieved by automated procedures and manual curation. The library is included in the Dockground resource for molecular recognition studies at http://dockground.bioinformatics.ku.edu. PMID:25488330

  19. Spectral analysis of the Forel-Ule Ocean colour comparator scale

    NASA Astrophysics Data System (ADS)

    Wernand, M. R.; van der Woerd, H. J.

    2010-04-01

    François Alphonse Forel (1890) and Willi Ule (1892) composed a colour comparator scale, with tints varying from indigo-blue to coca-cola brown, to quantify the colour of natural waters, like seas, lakes and rivers. For each measurement, the observer compares the colour of the water above a submersed white disc (Secchi disc) with the hand-held scale of pre-defined colours. The scale can be well reproduced from a simple recipe for twenty-one coloured chemical solutions and because the ease of its use, the Forel-Ule (FU) scale has been applied globally and intensively by oceanographers and limnologists from the year 1890. Indeed, the archived FU data belong to the oldest oceanographic data sets and do contain information on the changes in geobiophysical properties of natural waters during the last century. In this article we describe the optical properties of the FU-scale and its ability to cover the colours of natural waters, as observed by the human eye. The recipe of the scale and its reproduction is described. The spectral transmission of the tubes, with belonging chromaticity coordinates, is presented. The FU scale, in all its simplicity, is found to be an adequate ocean colour comparator scale. The scale is well characterized, is stable and observations are reproducible. This supports the idea that the large historic data base of FU measurements is coherent and well calibrated. Moreover, the scale can be coupled to contemporary multi-spectral observations with hand-held and satellite-based spectrometers.

  20. A spectral-structural bag-of-features scene classifier for very high spatial resolution remote sensing imagery

    NASA Astrophysics Data System (ADS)

    Zhao, Bei; Zhong, Yanfei; Zhang, Liangpei

    2016-06-01

    results show that the whole image as the scope of the pooling operator performs better than the scope generated by SP. In addition, SSBFC codes and pools the spectral and structural features separately to avoid mutual interruption between the spectral and structural features. The coding vectors of spectral and structural features are then concatenated into a final coding vector. Finally, SSBFC classifies the final coding vector by support vector machine (SVM) with a histogram intersection kernel (HIK). Compared with the latest scene classification methods, the experimental results with three VHSR datasets demonstrate that the proposed SSBFC performs better than the other classification methods for VHSR image scenes.

  1. Using a spectral approach to compare dynamic and static head driven hyporheic exchange

    NASA Astrophysics Data System (ADS)

    Wörman, Anders; Morén, Ida; Riml, Joakim

    2016-04-01

    Hyporheic exchange is an important process controlling the transportation and fate of solutes in natural streams. The exchange is driven by the hydraulic head gradients over the stream bottom and occurs on a wide range of spatial scales. The hydraulic head gradient is either dominated by the static head, originating from water surface elevation differences or it is dominated by the dynamic head that is created when the velocity head of the stream is transformed to pressure variations along an uneven bed surface. This article uses a power spectral approach to compare the exchange due to the static and dynamic head occurring over a range of spatial scales in the Tullstorps Brook. Prediction of hyporheic exchange is restrained by the complications of performing measurements of high quality and quantity in the field. In this study bottom elevation and water depth was measured with a levelling instrument every 2.56 - 16.83 m along a 500 m long reach of the Tullstorps Brook. The velocity head was calculated at the same sections based on the measured cross section area of the stream and the average discharge during the day when the measurements were done. Parallel to the head investigations a Rhodamine WT tracer test was performed in the reach and the parameters controlling hyporheic exchange was estimated through inverse modelling. These tracer test parameters were compared with theoretical parameters obtained from a spectral model. Hyporheic exchange is often modelled by assuming the head variations to be harmonic with a certain wavelength and amplitude. In the reality the head variation cannot be represented by a single harmonic function, but the representation of head geometry can be improved by superimposing a large number of harmonic functions. Here, to be able to include the whole range of harmonics, we used a power spectral approach to analyse the hydraulic head measurements from the field. The Fourier power spectrum of the data was calculated for the water

  2. Spectral structure of electron antineutrinos from nuclear reactors.

    PubMed

    Dwyer, D A; Langford, T J

    2015-01-01

    Recent measurements of the positron energy spectrum obtained from inverse beta decay interactions of reactor electron antineutrinos show an excess in the 4 to 6 MeV region relative to current predictions. First-principles calculations of fission and beta decay processes within a typical pressurized water reactor core identify prominent fission daughter isotopes as a possible origin for this excess. These calculations also predict percent-level substructures in the antineutrino spectrum due to Coulomb effects in beta decay. Precise measurement of these substructures can elucidate the nuclear processes occurring within reactors. These substructures can be a systematic issue for measurements utilizing the detailed spectral shape. PMID:25615462

  3. Spectral properties of the temporal evolution of brain network structure

    NASA Astrophysics Data System (ADS)

    Wang, Rong; Zhang, Zhen-Zhen; Ma, Jun; Yang, Yong; Lin, Pan; Wu, Ying

    2015-12-01

    The temporal evolution properties of the brain network are crucial for complex brain processes. In this paper, we investigate the differences in the dynamic brain network during resting and visual stimulation states in a task-positive subnetwork, task-negative subnetwork, and whole-brain network. The dynamic brain network is first constructed from human functional magnetic resonance imaging data based on the sliding window method, and then the eigenvalues corresponding to the network are calculated. We use eigenvalue analysis to analyze the global properties of eigenvalues and the random matrix theory (RMT) method to measure the local properties. For global properties, the shifting of the eigenvalue distribution and the decrease in the largest eigenvalue are linked to visual stimulation in all networks. For local properties, the short-range correlation in eigenvalues as measured by the nearest neighbor spacing distribution is not always sensitive to visual stimulation. However, the long-range correlation in eigenvalues as evaluated by spectral rigidity and number variance not only predicts the universal behavior of the dynamic brain network but also suggests non-consistent changes in different networks. These results demonstrate that the dynamic brain network is more random for the task-positive subnetwork and whole-brain network under visual stimulation but is more regular for the task-negative subnetwork. Our findings provide deeper insight into the importance of spectral properties in the functional brain network, especially the incomparable role of RMT in revealing the intrinsic properties of complex systems.

  4. Structure and spectral properties of L-histidinium dipicrate dihydrate.

    PubMed

    Sethuram, M; Dhandapani, M; Sethu Raman, M; Amirthaganesan, G; Senthilkumar, K

    2014-01-24

    Non-linear optical active L-histidinium dipicrate dihydrate (LHDD) single crystals were grown by slow evaporation method. The Fourier transform FT-IR, FT-Raman, (1)H and (13)C NMR spectra of the crystal have been recorded and analysed. The spectral analyses confirm the formation of the compound and the stoichiometry. The geometry and spectral characteristics were examined using the density functional theory (DFT) method, B3LYP with 6-31G(d,p) basis set. The first-order hyperpolarisability, energies of frontier molecular orbitals and the Mulliken population analysis were also calculated. The HOMO-LUMO energy gap value 2.73 eV indicates the charge transfer from picrate to histidinium through the hydrogen bond. The second-order NLO properties of the molecule are studied by Kurtz-Perry powder technique. SHG efficiency of the compound is nearly 2.5 times greater than KDP. Theoretical calculations indicate hyperpolarisability of LHDD is 39 times greater than urea. The results show that the title molecule can be used for opto-electronic applications. PMID:24044988

  5. Spectral properties of the temporal evolution of brain network structure.

    PubMed

    Wang, Rong; Zhang, Zhen-Zhen; Ma, Jun; Yang, Yong; Lin, Pan; Wu, Ying

    2015-12-01

    The temporal evolution properties of the brain network are crucial for complex brain processes. In this paper, we investigate the differences in the dynamic brain network during resting and visual stimulation states in a task-positive subnetwork, task-negative subnetwork, and whole-brain network. The dynamic brain network is first constructed from human functional magnetic resonance imaging data based on the sliding window method, and then the eigenvalues corresponding to the network are calculated. We use eigenvalue analysis to analyze the global properties of eigenvalues and the random matrix theory (RMT) method to measure the local properties. For global properties, the shifting of the eigenvalue distribution and the decrease in the largest eigenvalue are linked to visual stimulation in all networks. For local properties, the short-range correlation in eigenvalues as measured by the nearest neighbor spacing distribution is not always sensitive to visual stimulation. However, the long-range correlation in eigenvalues as evaluated by spectral rigidity and number variance not only predicts the universal behavior of the dynamic brain network but also suggests non-consistent changes in different networks. These results demonstrate that the dynamic brain network is more random for the task-positive subnetwork and whole-brain network under visual stimulation but is more regular for the task-negative subnetwork. Our findings provide deeper insight into the importance of spectral properties in the functional brain network, especially the incomparable role of RMT in revealing the intrinsic properties of complex systems. PMID:26723151

  6. Earlier timbre processing of instrumental tones compared to equally complex spectrally rotated sounds as revealed by the mismatch negativity.

    PubMed

    Christmann, Corinna A; Lachmann, Thomas; Berti, Stefan

    2014-10-01

    Harmonically rich sounds have been shown to be processed more efficiently by the human brain compared to single sinusoidal tones. To control for stimulus complexity as a potentially confounding factor, tones and equally complex spectrally rotated sounds, have been used in the present study to investigate the role of the overtone series in sensory auditory processing in non-musicians. Timbre differences in instrumental tones with equal pitch elicited a MMN which was earlier compared to that elicited by the spectrally rotated sounds, indicating that harmonically rich tones are processed faster compared to non-musical sounds without an overtone series, even when pitch is not the relevant information. PMID:25173970

  7. Structural, spectral and thermal analysis of some metallocephradines

    NASA Astrophysics Data System (ADS)

    Masoud, Mamdouh S.; Ali, Alaa E.; Ghareeb, Doaa A.; Nasr, Nessma M.

    2015-11-01

    A series of cephradine metal complexes were prepared and investigated by elemental analysis, IR, electronic spectra, magnetic susceptibility, ESR spectra, 1HNMR spectral studies and mass spectra. EDX patterns were carried out to emphasis the nature of the particles and the purity of products, while SEM is a sensitive tool used to justify on the microstructure and surface morphology. Thermal behavior of the synthesized complexes was illustrated by different techniques (TGA, DTA and DSC). The thermal decomposition of all the complexes ended with the formation of metal oxides and carbon residue as a final product. Also, the thermodynamic parameters and thermal transitions, such as glass transitions, crystallization and melting temperatures for cephradine and its metal complexes were evaluated and discussed. The entropy change values, ΔS#, showed that the transition states are more ordered than the reacting complexes.

  8. Introducing Spectral Proper Orthogonal Decomposition: Superior identification of coherent structures in turbulent flows

    NASA Astrophysics Data System (ADS)

    Sieber, Moritz; Oberleithner, Kilian; Paschereit, C. Oliver

    2015-11-01

    The identification of coherent structures from experimental or numerical data is an essential task in fluid dynamics. Today's commonly used approaches employ the construction of a modal base that captures the dominant flow structures. Typically, these modes are either energy (POD) or frequency (Fourier decomposition) ranked. However, there are numerous examples where the relevant coherent structures occur at low energies or at multiple frequencies. To overcome the shortcoming of the current ``rigid'' approaches, we propose a new method - Spectral Proper Orthogonal Decomposition (SPOD). It is based on classical POD and it applies to spatially and temporally resolved data. The new method involves an additional temporal constraint that enables a clear separation of phenomena that occur at multiple frequencies and energies. It allows for a continuous shifting from the energy ranked POD to the frequency ranked Fourier decomposition by changing a single parameter. In this presentation we demonstrate the SPOD on experimental data of some flow cases, where the commonly used methods fail to assign the relevant coherent structures to single modes. The SPOD, however, achieves a proper separation of spatially and temporally coherent structures that might be hidden in noise or spread over a wide frequency range. In spite of all these benefits, the algorithmic complexity and computational cost of the SPOD is still comparable to the snapshot POD.

  9. Fold assessment for comparative protein structure modeling.

    PubMed

    Melo, Francisco; Sali, Andrej

    2007-11-01

    Accurate and automated assessment of both geometrical errors and incompleteness of comparative protein structure models is necessary for an adequate use of the models. Here, we describe a composite score for discriminating between models with the correct and incorrect fold. To find an accurate composite score, we designed and applied a genetic algorithm method that searched for a most informative subset of 21 input model features as well as their optimized nonlinear transformation into the composite score. The 21 input features included various statistical potential scores, stereochemistry quality descriptors, sequence alignment scores, geometrical descriptors, and measures of protein packing. The optimized composite score was found to depend on (1) a statistical potential z-score for residue accessibilities and distances, (2) model compactness, and (3) percentage sequence identity of the alignment used to build the model. The accuracy of the composite score was compared with the accuracy of assessment by single and combined features as well as by other commonly used assessment methods. The testing set was representative of models produced by automated comparative modeling on a genomic scale. The composite score performed better than any other tested score in terms of the maximum correct classification rate (i.e., 3.3% false positives and 2.5% false negatives) as well as the sensitivity and specificity across the whole range of thresholds. The composite score was implemented in our program MODELLER-8 and was used to assess models in the MODBASE database that contains comparative models for domains in approximately 1.3 million protein sequences. PMID:17905832

  10. Mineralogical and spectral analysis of Vesta's Gegania and Lucaria quadrangles and comparative analysis of their key features

    NASA Astrophysics Data System (ADS)

    Longobardo, Andrea; Palomba, Ernesto; De Sanctis, Maria Cristina; Zinzi, Angelo; Scully, Jennifer E. C.; Capaccioni, Fabrizio; Tosi, Federico; Zambon, Francesca; Ammannito, Eleonora; Combe, Jean-Philippe; Raymond, Carol A.; Russell, Cristopher T.

    2015-10-01

    This work is aimed at developing and interpreting infrared albedo, pyroxene and OH band depths, and pyroxene band center maps of Vesta's Gegania and Lucaria quadrangles, obtained from data provided by the Visible and InfraRed (VIR) mapper spectrometer on board NASA's Dawn spacecraft. The Gegania and Lucaria quadrangles span latitudes from 22°S to 22°N and longitudes from 0°E to 144°E. The mineralogical and spectral maps identify two large-scale units on this area of Vesta, which extend eastwards and westward of about 60°E, respectively. The two regions are not associated to large-scale geological units, which have a latitudinal distribution rather than longitudinal, but are defined by different contents of carbonaceous chondrites (CC): the eastern region, poor in CCs, is brighter and OH-depleted, whereas the western one, rich in CCs, is darker and OH-enriched. A detailed analysis of the small-scale units in these quadrangles is also performed. Almost all the units show the typical correspondence between high albedo, deep pyroxene bands, short band centers and absence of OH and vice versa. Only a few exceptions occur, such as the ejecta from the Aelia crater, where dark and bright materials are intimately mixed. The most characteristic features of these quadrangles are the equatorial troughs and the Lucaria tholus. The equatorial troughs consist of graben, i.e. a depression limited by two conjugate faults. The graben do not present their own spectral signatures, but spectral parameters similar to their surroundings, in agreement to their structural origin. This is observed also in graben outside the Gegania and Lucaria quadrangles. However, it is possible to observe other structural features, such as tectonic grooves, characterized by a changing composition and hence an albedo variation. This result is confirmed not only by mineralogical maps of Vesta, but also by analyzing the VIRTIS-Rosetta observations of Lutetia. The albedo change is instead a typical

  11. 2D Spatial Frequency Considerations in Comparing 1D Power Spectral Density Measurements

    SciTech Connect

    Takacs, P.Z.; Barber, S.; Church, E.L.; Kaznatcheev, K.; McKinney, W.R.; Yashchuk, V.Y.

    2010-06-14

    The frequency footprint of ID and 2D profiling instruments needs to be carefully considered in comparing ID surface roughness spectrum measurements made by different instruments. Contributions from orthogonal direction frequency components can not be neglected. The use of optical profiling instruments is ubiquitous in the measurement of the roughness of optical surfaces. Their ease-of-use and non-contact measurement method found widespread use in the optics industry for measuring the quality of delicate optical surfaces. Computerized digital data acquisition with these instruments allowed for quick and easy calculation of surface roughness statistics, such as root-mean-square (RMS) roughness. The computing power of the desktop computer allowed for the rapid conversion of spatial domain data into the frequency domain, enabling the application of sophisticated signal processing techniques to be applied to the analysis of surface roughness, the most powerful of which is the power spectral density (PSP) function. Application of the PSD function to surface statistics introduced the concept of 'bandwidth-limited' roughness, where the value of the RMS roughness depends critically upon the spatial frequency response of the instrument. Different instruments with different spatial frequency response characteristics give different answers when measuring the same surface.

  12. The complex ion structure of warm dense carbon measured by spectrally resolved x-ray scattering

    SciTech Connect

    Kraus, D.; Barbrel, B.; Falcone, R. W.; Vorberger, J.; Helfrich, J.; Frydrych, S.; Ortner, A.; Otten, A.; Roth, F.; Schaumann, G.; Schumacher, D.; Siegenthaler, K.; Wagner, F.; Roth, M.; Gericke, D. O.; Wünsch, K.; Bachmann, B.; Döppner, T.; Bagnoud, V.; Blažević, A.; and others

    2015-05-15

    We present measurements of the complex ion structure of warm dense carbon close to the melting line at pressures around 100 GPa. High-pressure samples were created by laser-driven shock compression of graphite and probed by intense laser-generated x-ray sources with photon energies of 4.75 keV and 4.95 keV. High-efficiency crystal spectrometers allow for spectrally resolving the scattered radiation. Comparing the ratio of elastically and inelastically scattered radiation, we find evidence for a complex bonded liquid that is predicted by ab-initio quantum simulations showing the influence of chemical bonds under these conditions. Using graphite samples of different initial densities we demonstrate the capability of spectrally resolved x-ray scattering to monitor the carbon solid-liquid transition at relatively constant pressure of 150 GPa. Showing first single-pulse scattering spectra from cold graphite of unprecedented quality recorded at the Linac Coherent Light Source, we demonstrate the outstanding possibilities for future high-precision measurements at 4th Generation Light Sources.

  13. A Comparative Lab-field-aerial Spectral Study of the Painted Desert, AZ: Implications for CRISM Data Interpretation

    NASA Astrophysics Data System (ADS)

    McKeown, N. K.; Bishop, J. L.; Noe Dobrea, E. Z.

    2011-12-01

    The Painted Desert, AZ has been proposed as an analog site for Mawrth Vallis, Mars [1]. In this study, we compare spectra of the Painted Desert from HyMap, from an ASD spectrometer in the field, and of Painted Desert samples measured in the lab. This comparison will aid in the interpretation of CRISM data by identifying consistent differences between lab measurements, field measurements, and aerial measurements of the same site. Our field sites were located near Five Buttes on Navajo land and at the Teepee site of the Petrified Forest National Park. Rocks in these areas are composed of feldspar, chert, smectite, kaolinite, calcite and dolomite. In comparing our three datasets, the most consistent difference is that the absorption band near 2.2 μm is weaker in the aerial (HyMap) data than both the field and lab data, which are of similar magnitude (Figs. 1 and 2). The weaker bands could be due to the larger footprint of the aerial data (4 m x 4 m), resulting in spectra that may sample a larger variety of materials. The spectral features in the 2-2.5 μm region are due to combinations and overtones of the metal-OH vibration within the mineral structure. That the bands are consistently weaker in the aerial data than the lab and field data could mean that modal estimates based on satellite data from Mars could be underestimating the percentage of phyllosilicates.

  14. Investigation on spectral response of micro-cavity structure by symmetrical tapered fiber tips

    NASA Astrophysics Data System (ADS)

    Liu, Yan; Li, Yang; Yan, Xiaojun; Li, Weidong

    2016-06-01

    We proposed and experimentally demonstrated a micro-cavity structure made of symmetrical tapered fiber tips. The waist of a conventional fiber taper fabricated from heating and stretching technique is symmetrically cleaved, and the aligned fiber tips with air gap constitute a Fabry-Perot micro-cavity due to the reflection at the tip facet. The spectral responses of such micro-cavity structure have been investigated both in beam propagation models and experiments. The multibeam interference in the micro-cavity and the impact of the waist diameter and cavity length on the spectral response has been successfully demonstrated. And a micro-cavity structure with 45 μm waist diameter was experimentally achieved, the measured spectra agree well with the simulation ones, indicating that the spectral response of the micro-cavity structure is contributed by both the multibeam interference and the Fabry-Perot micro-cavity.

  15. [Comparative hierarchic structure of the genetic language].

    PubMed

    Ratner, V A

    1993-05-01

    The genetical texts and genetic language are built according to hierarchic principle and contain no less than 6 levels of coding sequences, separated by marks of punctuation, separation and indication: codons, cistrons, scriptons, replicons, linkage groups, genomes. Each level has all the attributes of the language. This hierarchic system expresses some general properties and regularities. The rules of genetic language being determined, the variability of genetical texts is generated by block-modular combinatorics on each level. Between levels there are some intermediate sublevels and module types capable of being combined. The genetic language is compared with two different independent linguistic systems: human natural languages and artificial programming languages. Genetic language is a natural one by its origin, but it is a typical technical language of the functioning genetic regulatory system--by its predestination. All three linguistic systems under comparison have evident similarity of the organization principles and hierarchical structures. This argues for similarity of their principles of appearance and evolution. PMID:8335232

  16. A Better Sunscreen: Structural Effects on Spectral Properties

    ERIC Educational Resources Information Center

    Huck, Lawrence A.; Leigh, William J.

    2010-01-01

    A modification of the mixed-aldol synthesis of dibenzylideneacetone, prepared from acetone and benzaldehyde, is described wherein acetone is replaced with a series of cyclic ketones with ring sizes of 5-7 carbons. The structural variations in the resulting conjugated ketones produce regular variations in the UV-vis absorption spectra. The choice…

  17. Structural and spectral investigation of terbium molybdate nanophosphor.

    PubMed

    Mani, Kamal P; Vimal, G; Biju, P R; Joseph, Cyriac; Unnikrishnan, N V; Ittyachen, M A

    2015-09-01

    Terbium molybdate nanophosphors were synthesized through a facile sol-gel route. The structure of the phosphors was characterized by X-ray diffraction, Raman spectra and Fourier transform infrared spectroscopy analysis. The X-ray diffraction studies revealed that the structure of the nanophosphor gradually changes from monoclinic to orthorhombic phase as heated from 700 to 900 °C. High resolution transmission electron microscopy, SAED and EDS were also employed to characterize the size, crystallinity and composition of the samples. Detailed spectroscopic investigations were carried out by Judd-Ofelt analysis based on UV-Visible-NIR absorption and emission spectra. The luminescence spectra suggest that phosphors with orthorhombic structure have better luminescence properties than the monoclinic structure. The phosphors showed intense green emission under near-UV excitation due to the energy transfer from the host lattice to Tb(3+) ions. The CIE coordinates suggest enhanced color purity for green emission and short fluorescence decay values proposes the suitability for LED applications. These phosphors can be applied as promising candidates for blue and near-UV excited WLEDs. PMID:25919330

  18. Structural and spectral investigation of terbium molybdate nanophosphor

    NASA Astrophysics Data System (ADS)

    Mani, Kamal P.; Vimal, G.; Biju, P. R.; Joseph, Cyriac; Unnikrishnan, N. V.; Ittyachen, M. A.

    2015-09-01

    Terbium molybdate nanophosphors were synthesized through a facile sol-gel route. The structure of the phosphors was characterized by X-ray diffraction, Raman spectra and Fourier transform infrared spectroscopy analysis. The X-ray diffraction studies revealed that the structure of the nanophosphor gradually changes from monoclinic to orthorhombic phase as heated from 700 to 900 °C. High resolution transmission electron microscopy, SAED and EDS were also employed to characterize the size, crystallinity and composition of the samples. Detailed spectroscopic investigations were carried out by Judd-Ofelt analysis based on UV-Visible-NIR absorption and emission spectra. The luminescence spectra suggest that phosphors with orthorhombic structure have better luminescence properties than the monoclinic structure. The phosphors showed intense green emission under near-UV excitation due to the energy transfer from the host lattice to Tb3+ ions. The CIE coordinates suggest enhanced color purity for green emission and short fluorescence decay values proposes the suitability for LED applications. These phosphors can be applied as promising candidates for blue and near-UV excited WLEDs.

  19. Spectral and structural comparison between bright and dim green fluorescent proteins in Amphioxus

    PubMed Central

    Bomati, Erin K.; Haley, Joy E.; Noel, Joseph P.; Deheyn, Dimitri D.

    2014-01-01

    The cephalochordate Amphioxus naturally co-expresses fluorescent proteins (FPs) with different brightness, which thus offers the rare opportunity to identify FP molecular feature/s that are associated with greater/lower intensity of fluorescence. Here, we describe the spectral and structural characteristics of green FP (bfloGFPa1) with perfect (100%) quantum efficiency yielding to unprecedentedly-high brightness, and compare them to those of co-expressed bfloGFPc1 showing extremely-dim brightness due to low (0.1%) quantum efficiency. This direct comparison of structure-function relationship indicated that in the bright bfloGFPa1, a Tyrosine (Tyr159) promotes a ring flipping of a Tryptophan (Trp157) that in turn allows a cis-trans transformation of a Proline (Pro55). Consequently, the FP chromophore is pushed up, which comes with a slight tilt and increased stability. FPs are continuously engineered for improved biochemical and/or photonic properties, and this study provides new insight to the challenge of establishing a clear mechanistic understanding between chromophore structural environment and brightness level. PMID:24968921

  20. Spectral and total temperature-dependent emissivities of few-layer structures on a metallic substrate.

    PubMed

    Blandre, Etienne; Chapuis, Pierre-Olivier; Vaillon, Rodolphe

    2016-01-25

    We investigate the thermal radiative emission of few-layer structures deposited on a metallic substrate and its dependence on temperature with the Fluctuational Electrodynamics approach. We highlight the impact of the variations of the optical properties of metallic layers on their temperature-dependent emissivity. Fabry-Pérot spectral selection involving at most two transparent layers and one thin reflective layer leads to well-defined peaks and to the amplification of the substrate emission. For a single Fabry-Pérot layer on a reflective substrate, an optimal thickness that maximizes the emissivity of the structure can be determined at each temperature. A thin lossy layer deposited on the previous structure can enhance interference phenomena, and the analysis of the participation of each layer to the emission shows that the thin layer is the main source of emission. Eventually, we investigate a system with two Fabry-Pérot layers and a metallic thin layer, and we show that an optimal architecture can be found. The total hemispherical emissivity can be increased by one order of magnitude compared to the substrate emissivity. PMID:26832589

  1. Spectral and structural comparison between bright and dim green fluorescent proteins in Amphioxus.

    PubMed

    Bomati, Erin K; Haley, Joy E; Noel, Joseph P; Deheyn, Dimitri D

    2014-01-01

    The cephalochordate Amphioxus naturally co-expresses fluorescent proteins (FPs) with different brightness, which thus offers the rare opportunity to identify FP molecular feature/s that are associated with greater/lower intensity of fluorescence. Here, we describe the spectral and structural characteristics of green FP (bfloGFPa1) with perfect (100%) quantum efficiency yielding to unprecedentedly-high brightness, and compare them to those of co-expressed bfloGFPc1 showing extremely-dim brightness due to low (0.1%) quantum efficiency. This direct comparison of structure-function relationship indicated that in the bright bfloGFPa1, a Tyrosine (Tyr159) promotes a ring flipping of a Tryptophan (Trp157) that in turn allows a cis-trans transformation of a Proline (Pro55). Consequently, the FP chromophore is pushed up, which comes with a slight tilt and increased stability. FPs are continuously engineered for improved biochemical and/or photonic properties, and this study provides new insight to the challenge of establishing a clear mechanistic understanding between chromophore structural environment and brightness level. PMID:24968921

  2. SPECTRAL PROPERTIES OF REGIONS AND STRUCTURES IN THE INTERSTELLAR BOUNDARY EXPLORER (IBEX) SKY MAPS

    SciTech Connect

    Dayeh, M. A.; McComas, D. J.; Livadiotis, G.; Ebert, R. W.; Schwadron, N. A.; Funsten, H. O.; Janzen, P.; Reisenfeld, D. B.

    2011-06-10

    We study the spectral properties of different regions and structures in the energetic neutral atom (ENA) maps at energies from {approx}0.5 keV to {approx}6 keV from the Interstellar Boundary Explorer (IBEX) mission. We find that (1) an ankle-shaped break (spectrum hardens) between {approx}1 keV and {approx}2 keV characterizes the polar spectra and the right flank, while a knee-shaped break (spectrum softens) describes the ribbon, nose, and the front region spectra; (2) the spectral indices across full latitudinal range (tail and poles) comprise a dependence reflecting a knee break at mid latitudes and an ankle break at high latitudes. This latitudinal evolution has inflection points at {approx}40 deg. S and {approx}36 deg. N, and is strongly correlated with the solar wind speed structure obtained by the Ulysses/SWOOPS instrument during its fast latitude scan in 2007. Our study confirms that the ecliptic latitude predominantly orders the spectral signatures of ENA distributions. This ordering may reflect the average solar wind properties that vary characteristically with latitude around solar minimum. We report on the spectral analyses of six regions and two structures in the IBEX maps. We also discuss the spectral asymmetries between the north and the south polar regions, their correlation with solar wind measurements, and the implications of these observations. Thus, we show detailed connections between the IBEX energy spectra and latitudinal properties of solar wind.

  3. Spectral Graph Analyses of Water Hydrogen-Bonding Network and Osmolyte Aggregate Structures in Osmolyte-Water Solutions.

    PubMed

    Lee, Hochan; Choi, Jun-Ho; Verma, Pramod Kumar; Cho, Minhaeng

    2015-11-12

    Recently, it was shown that the spectral graph theory is exceptionally useful for understanding not only morphological structural differences in ion aggregates but also similarities between an ion network and a water H-bonding network in highly concentrated salt solutions. Here, we present spectral graph analysis results on osmolyte aggregates and water H-bonding network structures in aqueous renal osmolyte solutions. The quantitative analyses of the adjacency matrices that are graph-theoretical representations of aggregates of osmolyte molecules and water H-bond structures provide the ensemble average eigenvalue spectra and degree distribution. We show that urea molecules form quite different morphological structures compared to other protecting renal osmolyte molecules in water, particularly sorbitol and trimethylglycine, which are well-known protecting osmolytes, and at high concentrations exhibit a strong propensity to form morphological structures that are graph-theoretically similar to that of the water H-bond network. Conversely, urea molecules, even at similarly high concentrations, form separated clusters instead of extended osmolyte-osmolyte networks. This difference in morphological structure of osmolyte-osmolyte aggregates between protecting and destabilizing osmolytes is considered to be an important observation that led us to propose a hypothesis on the osmolyte aggregate growth mechanism via either osmolyte network formation or segregated osmolyte cluster formation. We anticipate that the present spectral graph analyses of osmolyte aggregate structures and their interplay with the water H-bond network structure in highly concentrated renal osmolyte solutions could provide important information on the osmolyte effects of not only water structures but also protein stability in biologically relevant osmolyte solutions. PMID:26473387

  4. Comparing Factor Structures of Adolescent Psychopathology

    ERIC Educational Resources Information Center

    Verona, Edelyn; Javdani, Shabnam; Sprague, Jenessa

    2011-01-01

    Research on the structure of adolescent psychopathology can provide information on broad factors that underlie different forms of maladjustment in youths. Multiple studies from the literature on adult populations suggest that 2 factors, Internalizing and Externalizing, meaningfully comprise the factor structure of adult psychopathology (e.g.,…

  5. Molecular structure, spectral constants, and fermi resonances in chlorine nitrate

    NASA Astrophysics Data System (ADS)

    Petkie, Douglas T.; Butler, Rebecca A. H.; Helminger, Paul; De Lucia, Frank C.

    2004-06-01

    Chlorine nitrate has two low-lying vibrational modes that lead to a series of Fermi resonances in the 9 υ97 υ7 family of levels that include the 9 2⇔7 1 and 9 3⇔7 19 1 dyads and the 9 4⇔9 27 1⇔7 2 and 9 5⇔9 37 1⇔9 17 2 triads. These states, along with the ground and 9 1 vibrational states, have been previously analyzed with millimeter and submillimeter wave spectroscopy and provide a substantial body of data for the investigation of these resonances and their impact on calculated spectroscopic constants and structural parameters. Due to fitting indeterminacies, these previous analyses did not include the main Fermi resonance interaction term. Consequently, the fitted rotational constants are linear combinations of the unmixed rotational constants of the basis vibrational states. In this paper, we have calculated the contributions of the Fermi resonances to the observed rotational constants in a model that determines the vibrational-rotational constants, the Fermi term and the mixing between interacting vibrational states, the cubic potential constant ( φ997) that connects interacting levels through a Fermi resonance, and the inertial defects. These results agree with predictions from ab initio and harmonic force field calculations and provide further experimental information for the determination of the fundamental molecular properties of chlorine nitrate.

  6. Spectral structure near the 11.3 micron emission feature

    NASA Technical Reports Server (NTRS)

    Witteborn, Fred C.; Sandford, Scott A.; Bregman, Jesse D.; Allamandola, Louis J.; Cohen, M.; Wooden, Diane

    1989-01-01

    If the 11.3 micron emission feature seen in the spectra of many planetary nebulae, H II regions, and reflection nebulae is attributable to polycyclic aromatic hydrocarbons (PAHs), then additional features should be present between 11.3 and 13.0 microns. Moderate resolution spectra of NGC 7027, HD 44179, BD+30 deg 3639, and IRAS 21282+5050 are presented which show evidence for new emission features centered near 12.0 and 12.7 microns. These are consistent with an origin from PAHs and can be used to constrain the molecular structure of the family of PAHs responsible for the infrared features. There is an indication that coronene-like PAHs contribute far more to the emission from NGC 7027 than to the emission from HD 44179. The observed asymmetric profile of the 11.3 micron band in all the spectra is consistent with the slight anharmonicity expected in the C-H out-of-plane bending mode in PAHs. A series of repeating features between 10 and 11 microns in the spectrum of HD 44179 suggests a simple hydride larger than 2 atoms is present in the gas phase in this object.

  7. Protein structure, spectral properties, and photobiological function of lumazine protein

    NASA Astrophysics Data System (ADS)

    Lee, John W.; Bradley, Elizabeth A.; O'Kane, Dennis J.

    1992-04-01

    Protein sequence analysis, nuclear magnetic resonance, and fluorescence dynamics have been applied in a determination of the interactions of the lumazine derivative with the amino acid residues in the proposed ligand binding site of lumazine protein. It is these interactions that `tune' the excited state properties of the bound lumazine so that it can perform its photobiological function as the emitter of bioluminescence in Photobacterium species. A three- way sequence alignment shows that lumazine protein is homologous with the yellow- fluorescent protein of Vibrio fischeri and the riboflavin synthase from Bacillus subtilis. This last enzyme is ubiquitous in procaryotes, and utilizes two of these same lumazines as substrates for the production of riboflavin. By analogy with riboflavin synthase, a short sequence in the lumazine protein has been suggested as the ligand binding site. In riboflavin synthase there is a second binding site, but this is absent in lumazine protein, thus negating any synthase activity for this protein. Hydrogen bonds to the residues in this binding domain and `freeze' the lumazine structure into the highly polar tautomer deduced from NMR evidence. This also accounts for the rigidity of binding shown by the 23 ns (2 degree(s)C) rotational correlation time of the bound ligand as well as the strong blue shift of the fluorescence maximum, from 490 nm free to 475 nm when bound.

  8. Spectral structure across the syllable specifies final-stop voicing for adults and children alike

    PubMed Central

    Nittrouer, Susan; Lowenstein, Joanna H.

    2008-01-01

    Traditional accounts of speech perception generally hold that listeners use isolable acoustic “cues” to label phonemes. For syllable-final stops, duration of the preceding vocalic portion and formant transitions at syllable’s end have been considered the primary cues to voicing decisions. The current experiment tried to extend traditional accounts by asking two questions concerning voicing decisions by adults and children: (1) What weight is given to vocalic duration versus spectral structure, both at syllable’s end and across the syllable? (2) Does the naturalness of stimuli affect labeling? Adults and children (4, 6, and 8 years old) labeled synthetic stimuli that varied in vocalic duration and spectral structure, either at syllable’s end or earlier in the syllable. Results showed that all listeners weighted dynamic spectral structure, both at syllable’s end and earlier in the syllable, more than vocalic duration, and listeners performed with these synthetic stimuli as listeners had performed previously with natural stimuli. The conclusion for accounts of human speech perception is that rather than simply gathering acoustic cues and summing them to derive strings of phonemic segments, listeners are able to attend to global spectral structure, and use it to help recover explicitly phonetic structure. PMID:18177167

  9. Spectral structure across the syllable specifies final-stop voicing for adults and children alike.

    PubMed

    Nittrouer, Susan; Lowenstein, Joanna H

    2008-01-01

    Traditional accounts of speech perception generally hold that listeners use isolable acoustic "cues" to label phonemes. For syllable-final stops, duration of the preceding vocalic portion and formant transitions at syllable's end have been considered the primary cues to voicing decisions. The current experiment tried to extend traditional accounts by asking two questions concerning voicing decisions by adults and children: (1) What weight is given to vocalic duration versus spectral structure, both at syllable's end and across the syllable? (2) Does the naturalness of stimuli affect labeling? Adults and children (4, 6, and 8 years old) labeled synthetic stimuli that varied in vocalic duration and spectral structure, either at syllable's end or earlier in the syllable. Results showed that all listeners weighted dynamic spectral structure, both at syllable's end and earlier in the syllable, more than vocalic duration, and listeners performed with these synthetic stimuli as listeners had performed previously with natural stimuli. The conclusion for accounts of human speech perception is that rather than simply gathering acoustic cues and summing them to derive strings of phonemic segments, listeners are able to attend to global spectral structure, and use it to help recover explicitly phonetic structure. PMID:18177167

  10. Extracting structural features of rat sciatic nerve using polarization-sensitive spectral domain optical coherence tomography

    NASA Astrophysics Data System (ADS)

    Islam, M. Shahidul; Oliveira, Michael C.; Wang, Yan; Henry, Francis P.; Randolph, Mark A.; Park, B. Hyle; de Boer, Johannes F.

    2012-05-01

    We present spectral domain polarization-sensitive optical coherence tomography (SD PS-OCT) imaging of peripheral nerves. Structural and polarization-sensitive OCT imaging of uninjured rat sciatic nerves was evaluated both qualitatively and quantitatively. OCT and its functional extension, PS-OCT, were used to image sciatic nerve structure with clear delineation of the nerve boundaries to muscle and adipose tissues. A long-known optical effect, bands of Fontana, was also observed. Postprocessing analysis of these images provided significant quantitative information, such as epineurium thickness, estimates of extinction coefficient and birefringence of nerve and muscle tissue, frequency of bands of Fontana at different stretch levels of nerve, and change in average birefringence of nerve under stretched condition. We demonstrate that PS-OCT combined with regular-intensity OCT (compared with OCT alone) allows for a clearer determination of the inner and outer boundaries of the epineurium and distinction of nerve and muscle based on their birefringence pattern. PS-OCT measurements on normal nerves show that the technique is promising for studies on peripheral nerve injury.

  11. Recovery of forest structure and spectral properties after selective logging in lowland Bolivia.

    PubMed

    Broadbent, Eben N; Zarin, Daniel J; Asner, Gregory P; Peña-Claros, Marielos; Cooper, Amanda; Littell, Ramon

    2006-06-01

    Effective monitoring of selective logging from remotely sensed data requires an understanding of the spatial and temporal thresholds that constrain the utility of those data, as well as the structural and ecological characteristics of forest disturbances that are responsible for those constraints. Here we assess those thresholds and characteristics within the context of selective logging in the Bolivian Amazon. Our study combined field measurements of the spatial and temporal dynamics of felling gaps and skid trails ranging from <1 to 19 months following reduced-impact logging in a forest in lowland Bolivia with remote-sensing measurements from simultaneous monthly ASTER satellite overpasses. A probabilistic spectral mixture model (AutoMCU) was used to derive per-pixel fractional cover estimates of photosynthetic vegetation (PV), non-photosynthetic vegetation (NPV), and soil. Results were compared with the normalized difference in vegetation index (NDVI). The forest studied had considerably lower basal area and harvest volumes than logged sites in the Brazilian Amazon where similar remote-sensing analyses have been performed. Nonetheless, individual felling-gap area was positively correlated with canopy openness, percentage liana coverage, rates of vegetation regrowth, and height of remnant NPV. Both liana growth and NPV occurred primarily in the crown zone of the felling gap, whereas exposed soil was limited to the trunk zone of the gap. In felling gaps >400 m2, NDVI, and the PV and NPV fractions, were distinguishable from unlogged forest values for up to six months after logging; felling gaps <400 m2 were distinguishable for up to three months after harvest, but we were entirely unable to distinguish skid trails from our analysis of the spectral data. PMID:16827009

  12. Measurements of the spectral location of the structured target resonance for ultrarelativistic electrons

    NASA Astrophysics Data System (ADS)

    Andersen, K. K.; Andersen, S. L.; Knudsen, H.; Mikkelsen, R. E.; Thomsen, H. D.; Uggerhøj, U. I.; Wistisen, T. N.; Esberg, J.; Sona, P.; Mangiarotti, A.; Ketel, T. J.

    2014-05-01

    When an ultrarelativistic electron traverses two closely spaced foils, a radiation spectrum 'resonance' appears, arising from the photon formation length extending from one foil, across the gap and into the second foil. Several theoretical approaches yield quite different answers to the spectral location of this 'resonance', and we have therefore in the CERN NA63 collaboration addressed the question experimentally with a 178 GeV electron beam. The experimental technique used - where a variable gap separates two thin gold foils - allows for a direct measurement of a length that is closely related to the distance over which the photon formation takes place. These are the first measurements to observe the gap dependence of the energy of the 'resonance' in the radiation spectrum from a structured target on a truly macroscopic scale up to 0.5 mm. The results are compared with the theory of Baier and Katkov, with both the modified and unmodified theories of Blankenbecler as well as with a naïve, straightforward expectation. Surprisingly, the experiment shows a clear preference for the two latter, comparatively unsophisticated, approaches.

  13. Spectral structures and their generation mechanisms for solar radio type-I bursts

    SciTech Connect

    Iwai, K.; Miyoshi, Y.; Masuda, S.; Tsuchiya, F.; Morioka, A.; Misawa, H.

    2014-07-01

    The fine spectral structures of solar radio type-I bursts were observed by the solar radio telescope AMATERAS. The spectral characteristics, such as the peak flux, duration, and bandwidth, of the individual burst elements were satisfactorily detected by the highly resolved spectral data of AMATERAS with the burst detection algorithm that is improved in this study. The peak flux of the type-I bursts followed a power-law distribution with a spectral index of 2.9-3.3, whereas their duration and bandwidth were distributed more exponentially. There were almost no correlations between the peak flux, duration, and bandwidth. That means there was no similarity in the shapes of the burst spectral structures. We defined the growth rate of a burst as the ratio between its peak flux and duration. There was a strong correlation between the growth rate and peak flux. These results suggest that the free energy of type-I bursts that is originally generated by nonthermal electrons is modulated in the subsequent stages of the generation of nonthermal electrons, such as plasma wave generation, radio wave emissions, and propagation. The variation of the timescale of the growth rate is significantly larger than that of the coronal environments. These results can be explained by the situation wherein the source region may have the inhomogeneity of an ambient plasma environment, such as the boundary of open and closed field lines, and the superposition of entire emitted bursts was observed by the spectrometer.

  14. Reactance, Restoration, and Cognitive Structure: Comparative Statics

    ERIC Educational Resources Information Center

    Bessarabova, Elena; Fink, Edward L.; Turner, Monique

    2013-01-01

    This study (N = 143) examined the effects of freedom threat on cognitive structures, using recycling as its topic. The results of a 2(Freedom Threat: low vs. high) x 2(Postscript: restoration vs. filler) plus 1(Control) experiment indicated that, relative to the control condition, high freedom threat created a boomerang effect for the targeted…

  15. Uncertainty of Comparative Judgments and Multidimensional Structure

    ERIC Educational Resources Information Center

    Sjoberg, Lennart

    1975-01-01

    An analysis of preferences with respect to silhouette drawings of nude females is presented. Systematic intransitivities were discovered. The dispersions of differences (comparatal dispersons) were shown to reflect the multidimensional structure of the stimuli, a finding expected on the basis of prior work. (Author)

  16. Compare, Contrast, Comprehend: Using Compare-Contrast Text Structures with ELLs in K-3 Classrooms

    ERIC Educational Resources Information Center

    Dreher, Mariam Jean; Gray, Jennifer Letcher

    2009-01-01

    In this article, we describe how to help primary-grade English language learners use compare-contrast text structures. Specifically, we explain (a) how to teach students to identify the compare-contrast text structure, and to use this structure to support their comprehension, (b) how to use compare-contrast texts to activate and extend students'…

  17. Electronic structure and spectral-luminescent properties of 1,2,4,6-tetrasubstituted pyridinium salts

    SciTech Connect

    Korunova, A.F.; Krainov, I.P.; Protsenko, E.G.

    1985-09-01

    The structure of the electronic excitation of 1,2,4,6-tetrasubstituted pyridinium salts was studied by quantum-chemical calculations carried out by the SCF PPP CI method, using excitation-localization numbers on the atoms and fragments, and interfragmentary charge transfer numbers. The nature of the absorption bands observed in the spectra and certain structural factors causing the spectral-luminescent properties were established.

  18. Half-spectral unidirectional invisibility in non-Hermitian periodic optical structures.

    PubMed

    Longhi, Stefano

    2015-12-01

    The phenomenon of half-spectral unidirectional invisibility is introduced for one-dimensional periodic optical structures with tailored real and imaginary refractive index distributions in a non PT-symmetric configuration. The effect refers to the property in which the optical medium appears to be invisible, both in reflection and transmission, below the Bragg frequency when probed from one side and above the Bragg frequency when probed from the opposite side. Half-spectral invisibility is obtained by a combination of in-phase index and gain gratings whose spatial envelopes are related to each other by a Hilbert transform. PMID:26625084

  19. On comparing two structured RNA multiple alignments.

    PubMed

    Patel, Vandanaben; Wang, Jason T L; Setia, Shefali; Verma, Anurag; Warden, Charles D; Zhang, Kaizhong

    2010-12-01

    We present a method, called BlockMatch, for aligning two blocks, where a block is an RNA multiple sequence alignment with the consensus secondary structure of the alignment in Stockholm format. The method employs a quadratic-time dynamic programming algorithm for aligning columns and column pairs of the multiple alignments in the blocks. Unlike many other tools that can perform pairwise alignment of either single sequences or structures only, BlockMatch takes into account the characteristics of all the sequences in the blocks along with their consensus structures during the alignment process, thus being able to achieve a high-quality alignment result. We apply BlockMatch to phylogeny reconstruction on a set of 5S rRNA sequences taken from fifteen bacteria species. Experimental results showed that the phylogenetic tree generated by our method is more accurate than the tree constructed based on the widely used ClustalW tool. The BlockMatch algorithm is implemented into a web server, accessible at http://bioinformatics.njit.edu/blockmatch. A jar file of the program is also available for download from the web server. PMID:21121021

  20. Comparative analysis of combined spectral and optical tomography methods for detection of skin and lung cancers

    NASA Astrophysics Data System (ADS)

    Zakharov, Valery P.; Bratchenko, Ivan A.; Artemyev, Dmitry N.; Myakinin, Oleg O.; Kornilin, Dmitry V.; Kozlov, Sergey V.; Moryatov, Alexander A.

    2015-02-01

    Malignant skin tumors of different types were studied in vivo using optical coherence tomography (OCT), backscattering (BS), and Raman spectroscopy (RS). A multimodal method is proposed for early cancer detection based on complex analysis of OCT images by their relative alteration of scattered-radiation spectral intensities between malignant and healthy tissues. An increase in average accuracy of diagnosis was observed for a variety of cancer types (9% sensitivity, 8% specificity) by a multimodal RS-BS-OCT system in comparison with any of the three methods used separately. The proposed approach equalizes the processing rates for all methods and allows for simultaneous imaging and classification of tumors.

  1. Introducing Spectral Structure Activity Relationship (S-SAR) Analysis. Application to Ecotoxicology

    PubMed Central

    Putz, Mihai V.; Lacrămă, Ana-Maria

    2007-01-01

    A novel quantitative structure-activity (property) relationship model, namely Spectral-SAR, is presented in an exclusive algebraic way replacing the old-fashioned multi-regression one. The actual S-SAR method interprets structural descriptors as vectors in a generic data space that is further mapped into a full orthogonal space by means of the Gram-Schmidt algorithm. Then, by coordinated transformation between the data and orthogonal spaces, the S-SAR equation is given under simple determinant form for any chemical-biological interactions under study. While proving to give the same analytical equation and correlation results with standard multivariate statistics, the actual S-SAR frame allows the introduction of the spectral norm as a valid substitute for the correlation factor, while also having the advantage to design the various related SAR models through the introduced “minimal spectral path” rule. An application is given performing a complete S-SAR analysis upon the Tetrahymena pyriformis ciliate species employing its reported eco-toxicity activities among relevant classes of xenobiotics. By representing the spectral norm of the endpoint models against the concerned structural coordinates, the obtained S-SAR endpoints hierarchy scheme opens the perspective to further design the ecotoxicological test batteries with organisms from different species.

  2. a Comparative Study of Alto Saxophone Reeds Through Spectral and Subjective Analyses.

    NASA Astrophysics Data System (ADS)

    Henderson, Caroline Blythe

    The purpose of this study was to analyze six brands of cane reeds and five brands of synthetic reeds to determine the differences in tone quality produced by each. Spectral analysis was used to determine the individual reed which conformed most closely to the average profile of each brand. A panel of seven saxophone performers then presented their opinions of the each reed's tone quality upon hearing a live performance of an excerpt from Eugene Bozza's Aria for alto saxophone and piano performed on the reeds most representative of each brand. The evaluation form used by the judges included ten sets of bipolar adjectives: good-bad, harmonious-dissonant, clean-dirty, light-dark, pleasurable-painful, beautiful-ugly, strong-weak, complex -simple, masculine-feminine, and interesting-boring. The results indicated that the primary factors influencing the tone quality of a given reed were the strength of the overtones present regardless of their order and the dominance of either the fundamental or the first overtone. Although professional musicians normally hand-select their reeds for performance, this research based on both spectral and subjective analyses provides clear evidence for both musicians and music educators to refine and improve their reed selection process.

  3. Spectral ratio techniques as a tool for soil-structure interaction assessment

    NASA Astrophysics Data System (ADS)

    Ladina, C.; Lovati, S.; Marzorati, S.; Massa, M.

    2009-04-01

    structure, is built on lithological units characterized by alluvial deposits. All noise measurements, characterized by a minimum duration of 30 minutes (sampling rate 100 Hz), were performed using a Lennartz LE3D-5s seismometer (flat response 0.2 - 40 Hz) coupled with a 24 bits Reftek 130/01 digital recorder. To investigate the dynamic characterization of buildings both standard spectral ratio (SSR) and horizontal to vertical spectral ratio (HVNR) techniques were applied to the recorded data; in the first case two simultaneous measures, computed at the bottom and at the top of the structure were considered. For the stations where earthquakes recordings were available, the results from ambients noise were compared, to those obtained from earthquakes (HVSR). For all records the linear trend and the instrumental response were removed and a band-pass Butterworth 4 poles filter between 0.2 and 25 Hz was applied. Then each component of noise was windowed in time series of 120 s length (cosine taper 5%), the horizontal components were rotated between 0° and 175° with step of 5° and the power spectral density (PSD) were calculated using a Konno and Ohmachi (1998) window (b=20). Finally, for each considered azimuth average HVNRs were computed calculating for each time window the spectral ratio between the spectrum of the radial component over the spectrum of the vertical one. For earthquake the data processing were performed as described for noise but considering different portion of signal: 5 s and 15 s of S waves, starting 0.5 s before the S-waves picking, and 20 s of coda were selected. Also in this case for each selected window HVSR were calculated through a directional analysis as that described for HVNR. The results highlight the fundamental role of the installation. For BAG8 and AUL, where the sensors are directly installed on rock, the vibrations of the structure do not affect HVNR at the bottom, which show flat responses in the whole frequency range: in both cases the

  4. Comparative Analysis of Normalised Difference Spectral Indices Derived from MODIS for Detecting Surface Water in Flooded Rice Cropping Systems

    PubMed Central

    Boschetti, Mirco; Nutini, Francesco; Manfron, Giacinto; Brivio, Pietro Alessandro; Nelson, Andrew

    2014-01-01

    Identifying managed flooding in paddy fields is commonly used in remote sensing to detect rice. Such flooding, followed by rapid vegetation growth, is a reliable indicator to discriminate rice. Spectral indices (SIs) are often used to perform this task. However, little work has been done on determining which spectral combination in the form of Normalised Difference Spectral Indices (NDSIs) is most appropriate for surface water detection or which thresholds are most robust to separate water from other surfaces in operational contexts. To address this, we conducted analyses on satellite and field spectral data from an agronomic experiment as well as on real farming situations with different soil and plant conditions. Firstly, we review and select NDSIs proposed in the literature, including a new combination of visible and shortwave infrared bands. Secondly, we analyse spectroradiometric field data and satellite data to evaluate mixed pixel effects. Thirdly, we analyse MODIS data and Landsat data at four sites in Europe and Asia to assess NDSI performance in real-world conditions. Finally, we test the performance of the NDSIs on MODIS temporal profiles in the four sites. We also compared the NDSIs against a combined index previously used for agronomic flood detection. Analyses suggest that NDSIs using MODIS bands 4 and 7, 1 and 7, 4 and 6 or 1 and 6 perform best. A common threshold for each NDSI across all sites was more appropriate than locally adaptive thresholds. In general, NDSIs that use band 7 have a negligible increase in Commission Error over those that use band 6 but are more sensitive to water presence in mixed land cover conditions typical of moderate spatial resolution analyses. The best performing NDSI is comparable to the combined index but with less variability in performance across sites, suggesting a more succinct and robust flood detection method. PMID:24586381

  5. Comparative analysis of normalised difference spectral indices derived from MODIS for detecting surface water in flooded rice cropping systems.

    PubMed

    Boschetti, Mirco; Nutini, Francesco; Manfron, Giacinto; Brivio, Pietro Alessandro; Nelson, Andrew

    2014-01-01

    Identifying managed flooding in paddy fields is commonly used in remote sensing to detect rice. Such flooding, followed by rapid vegetation growth, is a reliable indicator to discriminate rice. Spectral indices (SIs) are often used to perform this task. However, little work has been done on determining which spectral combination in the form of Normalised Difference Spectral Indices (NDSIs) is most appropriate for surface water detection or which thresholds are most robust to separate water from other surfaces in operational contexts. To address this, we conducted analyses on satellite and field spectral data from an agronomic experiment as well as on real farming situations with different soil and plant conditions. Firstly, we review and select NDSIs proposed in the literature, including a new combination of visible and shortwave infrared bands. Secondly, we analyse spectroradiometric field data and satellite data to evaluate mixed pixel effects. Thirdly, we analyse MODIS data and Landsat data at four sites in Europe and Asia to assess NDSI performance in real-world conditions. Finally, we test the performance of the NDSIs on MODIS temporal profiles in the four sites. We also compared the NDSIs against a combined index previously used for agronomic flood detection. Analyses suggest that NDSIs using MODIS bands 4 and 7, 1 and 7, 4 and 6 or 1 and 6 perform best. A common threshold for each NDSI across all sites was more appropriate than locally adaptive thresholds. In general, NDSIs that use band 7 have a negligible increase in Commission Error over those that use band 6 but are more sensitive to water presence in mixed land cover conditions typical of moderate spatial resolution analyses. The best performing NDSI is comparable to the combined index but with less variability in performance across sites, suggesting a more succinct and robust flood detection method. PMID:24586381

  6. Differential visualisation of a spectrally selective structure of strongly scattering objects

    SciTech Connect

    Kuratov, A S; Rudenko, V N; Shuvalov, V V

    2014-07-31

    We describe a modification of the algorithm for the fast approximate solution of the diffuse optical tomography inverse problem. In this modification the amount of a priori (auxiliary) information necessary for the visualisation of the internal structure of the object is reduced by using a differential measurement scheme. The experiment is performed at two different wavelengths, and some a priori information, necessary to reconstruct only the spectrally selective component of the internal structure (the difference structure of the spatial distributions of the extinction coefficient at the wavelength employed), is replaced by the data of one of these measurements. (laser biophotonics)

  7. Structural and spectral characterizations of C1C2 channelrhodopsin and its mutants by molecular simulations

    NASA Astrophysics Data System (ADS)

    Kamiya, Motoshi; Kato, Hideaki E.; Ishitani, Ryuichiro; Nureki, Osamu; Hayashi, Shigehiko

    2013-01-01

    Molecular dynamics (MD) simulations and excitation energy calculations of C1C2 chimera channelrhodopsin, a light-gated ion channel protein utilized as a biotechnological tool for optogenetics, based on a protein structure determined recently by X-ray crystallography were performed to investigate its structural and spectral properties. The MD simulations showed stability of hydrogen-bonds responsible for the channel gating observed in the crystallographic structural model. Analysis of electrostatic contribution of the surrounding protein groups to the absorption energy proposes several site-specific mutations that shift absorption maxima significantly, and provides a clear and controlled guide for engineering design of color variant proteins utilized in optogenetics.

  8. Spectral and structural stability properties of charged particle dynamics in coupled lattices

    SciTech Connect

    Qin, Hong; Chung, Moses; Davidson, Ronald C.; Burby, Joshua W.

    2015-05-15

    It has been realized in recent years that coupled focusing lattices in accelerators and storage rings have significant advantages over conventional uncoupled focusing lattices, especially for high-intensity charged particle beams. A theoretical framework and associated tools for analyzing the spectral and structural stability properties of coupled lattices are formulated in this paper, based on the recently developed generalized Courant-Snyder theory for coupled lattices. It is shown that for periodic coupled lattices that are spectrally and structurally stable, the matrix envelope equation must admit matched solutions. Using the technique of normal form and pre-Iwasawa decomposition, a new method is developed to replace the (inefficient) shooting method for finding matched solutions for the matrix envelope equation. Stability properties of a continuously rotating quadrupole lattice are investigated. The Krein collision process for destabilization of the lattice is demonstrated.

  9. Spectral and structural stability properties of charged particle dynamics in coupled latticesa)

    NASA Astrophysics Data System (ADS)

    Qin, Hong; Chung, Moses; Davidson, Ronald C.; Burby, Joshua W.

    2015-05-01

    It has been realized in recent years that coupled focusing lattices in accelerators and storage rings have significant advantages over conventional uncoupled focusing lattices, especially for high-intensity charged particle beams. A theoretical framework and associated tools for analyzing the spectral and structural stability properties of coupled lattices are formulated in this paper, based on the recently developed generalized Courant-Snyder theory for coupled lattices. It is shown that for periodic coupled lattices that are spectrally and structurally stable, the matrix envelope equation must admit matched solutions. Using the technique of normal form and pre-Iwasawa decomposition, a new method is developed to replace the (inefficient) shooting method for finding matched solutions for the matrix envelope equation. Stability properties of a continuously rotating quadrupole lattice are investigated. The Krein collision process for destabilization of the lattice is demonstrated.

  10. Spectral properties of regions and structures in IBEX's global ENA sky maps

    NASA Astrophysics Data System (ADS)

    Dayeh, M. A.; Ebert, R. W.; Funsten, H. O.; Fuselier, S. A.; Janzen, P. H.; Livadiotis, G.; McComas, D. J.; Reisenfeld, D. B.; Schwadron, N. A.

    2010-12-01

    We study the spectral properties of different regions and structures in the Energetic Neutral Atom (ENA) maps at energies between ~0.5 keV and ~6 keV (FWHM) from the Interstellar Boundary Explorer (IBEX) mission. Our study confirms that the ecliptic latitude predominantly orders the spectral signatures of ENA distributions. This latitudinal ordering may reflect average solar wind properties that vary characteristically with latitude around solar minimum. The tail region shows the clearest latitudinal evolution with an inflection point between ~ 45° S and ~33° N latitude, which is strongly correlated with the solar wind speed variations obtained by Ulysses/SWOOPS instrument during its fast latitude scan in 2007. We report on the spectral analyses of nine regions in the IBEX maps. We also discuss the small-but-consistent spectral differences between the Northern and Southern polar regions in both the noseward and tailward directions, which also correlate with the time-evolution of the polar solar wind velocities reported earlier by Ulysses.

  11. Changes in Spectral Properties, Chlorophyll Content and Internal Mesophyll Structure of Senescing Populus balsamifera and Populus tremuloides Leaves

    PubMed Central

    Castro, Karen L.; Sanchez-Azofeifa, G. Arturo

    2008-01-01

    In this paper we compare leaf traits and spectral reflectance for sunlit and shafded leaves of Populus tremuloides and Populus balsamifera during autumn senescence using information derived from an Analytical Spectral Devise (ASD) Full Range spectrometer. The modified simple ratio (mSR705) and modified normalized difference index (mND705) were effective in describing changes in chlorophyll content over this period. Highly significant (P<0.01) correlation coefficients were found between the chlorophyll indices (mSR705, mND705)) and chlorophyll a, b, total chlorophyll and chlorophyll a/b. Changes in mesophyll structure were better described by the plant senescence reflectance index (PSRI) than by near-infrared wavebands. Overall, P. balsamifera exhibited lower total chlorophyll and earlier senescence than P. tremuloides. Leaves of P. balsamifera were also thicker, had a higher proportion of intercellular space in the spongy mesophyll, and higher reflectance at 800 nm. Further research, using larger sample sizes over a broader range of sites will extend our understanding of the spectral and temporal dynamics of senescence in P. tremuloides and P. balsamifera and will be particularly useful if species differences are detectable at the crown level using remotely sensed imagery.

  12. Spectral Barcoding of Quantum Dots: Deciphering Structural Motifs from the Excitonic Spectra

    SciTech Connect

    Mlinar, V.; Zunger, A.

    2009-01-01

    Self-assembled semiconductor quantum dots (QDs) show in high-resolution single-dot spectra a multitude of sharp lines, resembling a barcode, due to various neutral and charged exciton complexes. Here we propose the 'spectral barcoding' method that deciphers structural motifs of dots by using such barcode as input to an artificial-intelligence learning system. Thus, we invert the common practice of deducing spectra from structure by deducing structure from spectra. This approach (i) lays the foundation for building a much needed structure-spectra understanding for large nanostructures and (ii) can guide future design of desired optical features of QDs by controlling during growth only those structural motifs that decide given optical features.

  13. Rosetta/VIRTIS-M spectral data: Comet 67P/CG compared to other primitive small bodies.

    NASA Astrophysics Data System (ADS)

    De Sanctis, M. C.; Capaccioni, F.; Filacchione, G.; Erard, S.; Tosi, F.; Ciarniello, M.; Raponi, A.; Piccioni, G.; Leyrat, C.; Bockelée-Morvan, D.; Drossart, P.; Fornasier, S.

    2014-12-01

    VIRTIS-M, the Visible InfraRed Thermal Imaging Spectrometer, onboard the Rosetta Mission orbiter (Coradini et al., 2007) acquired data of the comet 67P/Churyumov-Gerasimenko in the 0.25-5.1 µm spectral range. The initial data, obtained during the first mission phases to the comet, allow us to derive albedo and global spectral properties of the comet nucleus as well as spectra of different areas on the nucleus. The characterization of cometary nuclei surfaces and their comparison with those of related populations such as extinct comet candidates, Centaurs, near-Earth asteroids (NEAs), trans-Neptunian objects (TNOs), and primitive asteroids is critical to understanding the origin and evolution of small solar system bodies. The acquired VIRTIS data are used to compare the global spectral properties of comet 67P/CG to published spectra of other cometary nuclei observed from ground or visited by space mission. Moreover, the spectra of 67P/Churyumov-Gerasimenko are also compared to those of primitive asteroids and centaurs. The comparison can give us clues on the possible common formation and evolutionary environment for primitive asteroids, centaurs and Jupiter-family comets. Authors acknowledge the funding from Italian and French Space Agencies. References: Coradini, A., Capaccioni, F., Drossart, P., Arnold, G., Ammannito, E., Angrilli, F., Barucci, A., Bellucci, G., Benkhoff, J., Bianchini, G., Bibring, J. P., Blecka, M., Bockelee-Morvan, D., Capria, M. T., Carlson, R., Carsenty, U., Cerroni, P., Colangeli, L., Combes, M., Combi, M., Crovisier, J., De Sanctis, M. C., Encrenaz, E. T., Erard, S., Federico, C., Filacchione, G., Fink, U., Fonti, S., Formisano, V., Ip, W. H., Jaumann, R., Kuehrt, E., Langevin, Y., Magni, G., McCord, T., Mennella, V., Mottola, S., Neukum, G., Palumbo, P., Piccioni, G., Rauer, H., Saggin, B., Schmitt, B., Tiphene, D., Tozzi, G., Space Science Reviews, Volume 128, Issue 1-4, 529-559, 2007.

  14. Quantitative and comparative examination of the spectral features characteristics of the surface reflectance information retrieved from the atmospherically corrected images of Hyperion

    NASA Astrophysics Data System (ADS)

    Kayadibi, Önder; Aydal, Doğan

    2013-01-01

    The retrieval of surface reflectance information from the same single pixel of the Hyperion image atmospherically corrected by using image-based [internal average relative reflectance (IARR), log residuals, and flat field] and radiative transfer model (RTM)-based [the fast line-of-sight atmospheric analysis of spectral hypercubes (FLAASH) and the Atmospheric and Topographic Correction 2 (ATCOR-2)] approaches and the spectral feature characteristics of this information were quantitatively and comparatively examined based on measured ground spectral reflectance data. The spectral features quantitative analysis results of the reflectance data showed that spectral reflectances that are suitable and best fitting to the ground spectral reflectances which were obtained from the pixels of FLAASH, ATCOR-2, and flat field-corrected images, respectively. The retrieval of surface reflectance from the FLAASH-corrected image pixels, in general, produced high scores in spectral parameter analyses. Of the image-based approaches, only in flat field-derived reflectance data, results were obtained which are high and nearest to those of RTM and ground spectral reflectance data. Generally, low scores obtained in the spectral parameter analyses of the surface reflectance values retrieved from single pixels of IARR and log residuals-corrected images showed the results that fit worst to the measured ground spectral reflectance.

  15. Structural, spectral-luminescent, and lasing properties of nanostructured Tm : CaF{sub 2} ceramics

    SciTech Connect

    Ryabochkina, P A; Lyapin, A A; Osiko, Vyacheslav V; Fedorov, Pavel P; Ushakov, S N; Kruglova, M V; Sakharov, N V; Garibin, E A; Gusev, P E; Krutov, M A

    2012-09-30

    The structure and the spectral-luminescent properties of CaF{sub 2} - TmF{sub 3} fluoride ceramics and single crystals are studied. AFM investigations revealed a layered nanostructure of grains, which was not observed in reference samples of single crystals. It is found that the spectral-luminescent properties of CaF{sub 2} - TmF{sub 3} ceramics and single crystals are similar. Lasing at the {sup 3}F{sub 4} {yields} {sup 3}H{sub 6} transition of Tm{sup 3+} ions in CaF{sub 2} - TmF{sub 3} ceramics (wavelength 1898 nm) under diode pimping is obtained for the first time. (laser applications and other topics in quantum electronics)

  16. Analysing flow structures around a blade using spectral/hp method and HPIV

    NASA Astrophysics Data System (ADS)

    Stoevesandt, Bernhard; Steigerwald, Christian; Shishkin, Andrei; Wagner, Claus; Peinke, Joachim

    2007-07-01

    A still difficult, yet pressing task for blade manufacturers and turbine producers is the correct prediction of the effects of turbulent winds on the blade. Reynolds Averaged Numerical Simulations (RANS) are a limited tool for calculating the effects. For large eddy simulations (LES) boundary layer calculation are still difficult therefore the spectral element method seems to be an approach to improve numerical calculations of flow separation. The flow field around an fx79-w151a airfoil has been calculated by the spectral element code Script NepsilonκScript Tαrusing a direct numerical simulation (DNS) solver. In a first step a laminar inflow on the airfoil at angle of attack of α = 12° and a Reynolds number of Re= 33000 was simulated using the 2D Version of the code. The flow pattern was compared to measurements using holographic particle induced velocimetry (HPIV) in a wind tunnel.

  17. Noninvasive in vivo structural and vascular imaging of human oral tissues with spectral domain optical coherence tomography

    PubMed Central

    Davoudi, Bahar; Lindenmaier, Andras; Standish, Beau A.; Allo, Ghassan; Bizheva, Kostadinka; Vitkin, Alex

    2012-01-01

    A spectral domain optical coherence tomography (SD-OCT) system and an oral imaging probe have been developed to visualize the microstructural morphology and microvasculature in the human oral cavity. Structural OCT images of ex vivo pig oral tissues with the histology of the same sites were acquired and compared for correlations. Structural in vivo OCT images of healthy human tissue as well as a pathologic site (ulcer) were obtained and analyzed based on the results of the ex vivo pig study, drawing on the similarity between human and swine oral tissues. In vivo Doppler and speckle variance OCT images of the oral cavity in human volunteers were also acquired, to demonstrate the feasibility of microvascular imaging of healthy and pathologic (scar) oral tissue. PMID:22567578

  18. Spectral and structural studies of the anti-cancer drug Flutamide by density functional theoretical method

    NASA Astrophysics Data System (ADS)

    Mariappan, G.; Sundaraganesan, N.

    2014-01-01

    A comprehensive screening of the more recent DFT theoretical approach to structural analysis is presented in this section of theoretical structural analysis. The chemical name of 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-propanamide is usually called as Flutamide (In the present study it is abbreviated as FLT) and is an important and efficacious drug in the treatment of anti-cancer resistant. The molecular geometry, vibrational spectra, electronic and NMR spectral interpretation of Flutamide have been studied with the aid of density functional theory method (DFT). The vibrational assignments of the normal modes were performed on the basis of the PED calculations using the VEDA 4 program. Comparison of computational results with X-ray diffraction results of Flutamide allowed the evaluation of structure predictions and confirmed B3LYP/6-31G(d,p) as accurate for structure determination. Application of scaling factors for IR and Raman frequency predictions showed good agreement with experimental values. This is supported the assignment of the major contributors of the vibration modes of the title compound. Stability of the molecule arising from hyperconjugative interactions leading to its bioactivity, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. NMR chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. The comparison of measured FTIR, FT-Raman, and UV-Visible data to calculated values allowed assignment of major spectral features of the title molecule. Besides, Frontier molecular orbital analyze was also investigated using theoretical calculations.

  19. Spectral characteristics of different structural modifications of Lu1 - x Eu x BO3

    NASA Astrophysics Data System (ADS)

    Shmurak, S. Z.; Kedrov, V. V.; Kiselev, A. P.; Smyt'ko, I. M.

    2015-01-01

    The spectral and structural characteristics of polycrystals of Eu3+-doped lutetium borates Lu1 - x Eu x BO3) annealed at different temperatures have been investigated over a wide range of europium concentrations. The conditions for the preparation of Lu1 - x Eu x BO3 in the calcite and vaterite phases have been determined. It has been found that there is a radical difference between the excitation spectra of the main emission bands of the calcite and vaterite phases of the Lu1 - x Eu x BO3 borates. The influence of the europium concentration on the structure of Lu1 - x Eu x BO3 has been analyzed. It has been established that, at europium concentrations of higher than 15 at %, only the vaterite structure is formed independently of the annealing temperature. Thus, by varying the Eu3+ concentration and the annealing temperature of Lu1 - x Eu x BO3, it is possible to directionally synthesize a specific structural modification and, consequently, to control the spectral characteristics of this compound.

  20. Mixed-Grass Prairie Canopy Structure and Spectral Reflectance Vary with Topographic Position

    NASA Astrophysics Data System (ADS)

    Phillips, Rebecca L.; Ngugi, Moffatt K.; Hendrickson, John; Smith, Aaron; West, Mark

    2012-11-01

    Managers of the nearly 0.5 million ha of public lands in North and South Dakota, USA rely heavily on manual measurements of canopy height in autumn to ensure conservation of grassland structure for wildlife and forage for livestock. However, more comprehensive assessment of vegetation structure could be achieved for mixed-grass prairie by integrating field survey, topographic position (summit, mid and toeslope) and spectral reflectance data. Thus, we examined the variation of mixed-grass prairie structural attributes (canopy leaf area, standing crop mass, canopy height, nitrogen, and water content) and spectral vegetation indices (VIs) with variation in topographic position at the Grand River National Grassland (GRNG), South Dakota. We conducted the study on a 36,000-ha herbaceous area within the GRNG, where randomly selected plots (1 km2 in size) were geolocated and included summit, mid and toeslope positions. We tested for effects of topographic position on measured vegetation attributes and VIs calculated from Landsat TM and Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) data collected in July 2010. Leaf area, standing crop mass, canopy height, nitrogen, and water content were lower at summits than at toeslopes. The simple ratio of Landsat Band 7/Band 1 (SR71) was the VI most highly correlated with canopy standing crop and height at plot and landscape scales. Results suggest field and remote sensing-based grassland assessment techniques could more comprehensively target low structure areas at minimal expense by layering modeled imagery over a landscape stratified into topographic position groups.

  1. Comparative spectral analysis of commercial fuel-ethanol blends using a low-cost prototype FT-Raman spectrometer

    NASA Astrophysics Data System (ADS)

    Ortega Clavero, Valentin; Weber, Andreas; Schröder, Werner; Meyrueis, Patrick; Javahiraly, Nicolas

    2012-06-01

    The use of bio-fuels and fuel blends, specially in automotive industry, has been increasing substantially in recent years due to market prices and trends on sustainable development policies. Different spectral analysis techniques for quality control, production, purity, and counterfeit detection have been reported as non-invasive, fast, and price accessible. Raman spectra from three different commercial binary E10 fuel-ethanol blends has been obtained by using a low-cost Fourier-Transform Raman spectrometer (FT-Raman). Qualitative comparison between the commercial fuel blends and a laboratory-prepared fuel blend have been performed. The characteristic Raman lines from some additives contained in the commercial gasoline have been also observed. The spectral information is presented in the range of 0 cm-1 to 3500 cm-1 with a resolution of 1.66 cm-1. These Raman spectra shows reduced frequency deviation (less than 0.4 cm-1 when compared to standard Raman spectra from cyclohexane and toluene without compensation for instrumental response). Higher resolution values are possible, since the greater optical path lengths of the FT-Raman are achievable before the instrumental physical effects appear. The robust and highly flexible FT-Raman prototype proposed for the spectral analysis, consisting mainly of a Michelson interferometer and a self-designed photon counter, is able to deliver high resolution and precise Raman spectra with no additional complex hardware or software control. The mechanical and thermal disturbances affecting the FT-Raman system are mathematically compensated by extracting the optical path information from the generated interference pattern of a λ=632.8 nm Helium-Neon laser (HeNe laser), which is used at the spectrum evaluation.

  2. Comparative statistical and spectral studies of seismic and non-seismic sub-ionospheric VLF anomalies

    NASA Astrophysics Data System (ADS)

    Wolbang, Daniel; Biernat, Helfried; Schwingenschuh, Konrad; Eichelberger, Hans; Prattes, Gustav; Besser, Bruno; Boudjada, Mohammed Y.; Rozhnoi, Alexander; Solovieva, Maria; Biagi, Pier Francesco; Friedrich, Martin

    2013-04-01

    We present a comparative study of seismic and non-seismic sub-ionospheric VLF anomalies. Our method is based on parameter variations of the sub-ionospheric VLF waveguide formed by the surface and the lower ionosphere. The used radio links working in the frequency range between 10 and 50 kHz, the receivers are part of the European and Russian networks. Various authors investigated the lithopsheric-atmospheric-ionospheric coupling and predicted the lowering of the ionosphere over earthquake preparation zones [1]. The received nighttime signal of a sub-ionospheric waveguide depends strongly on the height of the ionospheric E-layer, typically 80 to 85 km. This height is characterized by a typical gradient of the electron density near the atmospheric-ionospheric boundary [2]. In the last years it has been turned out that one of the major issues of sub-ionospheric seismo-electromagnetic VLF studies are the non-seismic influences on the links, which have to be carefully characterized. Among others this could be traveling ionospheric disturbances, geomagnetic storms as well as electron precipitation. Our emphasis is on the analysis of daily, monthly and annual variations of the VLF amplitude. To improve the statistics we investigate the behavior and typical variations of the VLF amplitude and phase over a period of more than 2 years. One important parameter considered is the rate how often the fluctuations are falling below a significant level derived from a mean value. The temporal variations and the amplitudes of these depressions are studied for several years for sub-ionospheric VLF radio links with the receivers in Graz and Kamchatka. In order to study the difference between seismic and non-seismic turbulences in the lower ionosphere a power spectrum analysis of the received signal is performed too. We are especially interested in variations T>6 min which are typical for atmospheric gravity waves causing the lithospheric-atmospheric-ionospheric coupling [3]. All

  3. Ultraviolet spectral distribution and erythema-weighted irradiance from indoor tanning devices compared with solar radiation exposures.

    PubMed

    Sola, Yolanda; Baeza, David; Gómez, Miguel; Lorente, Jerónimo

    2016-08-01

    Concern regarding the impact of indoor tanning devices on human health has led to different regulations and recommendations, which set limits on erythema-weighted irradiance. Here, we analyze spectral emissions from 52 tanning devices in Spanish facilities and compare them with surface solar irradiance for different solar zenith angles. Whereas most of the devices emitted less UV-B radiation than the midday summer sun, the unweighted UV-A irradiance was 2-6 times higher than solar radiation. Moreover, the spectral distributions of indoor devices were completely different from that of solar radiation, differing in one order of magnitude at some UV-A wavelengths, depending on the lamp characteristics. In 21% of the devices tested, the erythema-weighted irradiance exceeded 0.3Wm(-2): the limit fixed by the European standard and the Spanish regulation. Moreover, 29% of the devices fall within the UV type 4 classification, for which medical advice is required. The high variability in erythema-weighted irradiance results in a wide range of exposure times to reach 1 standard erythemal dose (SED: 100Jm(-2)), with 62% of devices requiring exposures of <10min to reach 1 SED. Nevertheless, the unweighted UV-A dose during this time period would be from 1.4 to 10.3 times more than the solar UV-A dose. PMID:27318601

  4. Comparative Analysis of Alternative Spectral Bands of CO2 and O2 for the Sensing of CO2 Mixing Ratios

    NASA Technical Reports Server (NTRS)

    Pliutau, Denis; Prasad, Narasimha S.

    2013-01-01

    We performed comparative studies to establish favorable spectral regions and measurement wavelength combinations in alternative bands of CO2 and O2, for the sensing of CO2 mixing ratios (XCO2) in missions such as ASCENDS. The analysis employed several simulation approaches including separate layers calculations based on pre-analyzed atmospheric data from the modern-era retrospective analysis for research and applications (MERRA), and the line-byline radiative transfer model (LBLRTM) to obtain achievable accuracy estimates as a function of altitude and for the total path over an annual span of variations in atmospheric parameters. Separate layer error estimates also allowed investigation of the uncertainties in the weighting functions at varying altitudes and atmospheric conditions. The parameters influencing the measurement accuracy were analyzed independently and included temperature sensitivity, water vapor interferences, selection of favorable weighting functions, excitations wavelength stabilities and other factors. The results were used to identify favorable spectral regions and combinations of on / off line wavelengths leading to reductions in interferences and the improved total accuracy.

  5. Time and spectral study of the internal structure of long Gamma Ray Bursts with z close to 1

    NASA Astrophysics Data System (ADS)

    Alejandro Vasquez, Nicolas; Quirola, Jonathan

    2015-08-01

    We investigated the internal structure of a sample of 5 long GRBs detected by Swift satellite with z close to one. We studied the high resolved temporal and spectral structure of the selected GRBs.. First, we determined the spectral lag applying an exponential model (Norris model, 2005). We fitted the pulses with Norris model in four different energy channels according to the sensitivity of the BAT detector (15-150 KeV) and calculated different lags using the 4 chosen bands. We concluded that high energy photons arrived before low energy photons in 88% of lags. Moreover, we performed spectral analysis in regions of 1 second width; the temporal evolution of spectral parameters such as photon index (α), energy peak (Ep ), among others were determined. In this analysis, we used two spectral models: power law and cutoff power law, thus we determined that the contribution of the synchrotron radiation inside the burst is important to the 45% of the GRBs’ regions. Finally, we investigated possible correlation between the spectral lag and spectral parameters associated to each pulse such as photon index and luminosity. Additionaly, we demostrated the anticorrelation between lag-luminosity. Nevertheless, we did not find a correlation between spectral lag and photon index.

  6. The impact of spatial and spectral frequencies in structured light imaging of thick tissues

    NASA Astrophysics Data System (ADS)

    Weber, Jessie Ruth

    This research focuses on development of structured light imaging (SLI), a new optical imaging technique based on spatial frequency domain modulation. The goal of this method is to quantitatively measure and map tissue optical properties, absorption and scattering, to determine tissue biochemical structure and composition. The work presented here extends the technology's spatial and spectral frequency impact. First, to expand the depth sectioning capability of spatial frequency modulation, a layered tissue model was developed, validated and shown to accurately recover in vivo parameters in skin (epidermis and dermis), effectively filtering out signal from the underlying subcutaneous tissue. Next, to expand the impact of spectral frequency information, the SLI system was combined with a Computed Tomography Imaging Spectrometer (CTIS), which eliminates the need to scan through wavelengths when gathering multispectral information. A single SLI-CTIS measurement gathers 36 absorption maps and 36 scattering maps, with a resulting measurement speed ˜30 times faster than the liquid crystal tunable filter method currently employed in multispectral SLI systems. The multispectral information can be used to determine the concentrations of multiple tissue chromophores and the relative density of the tissue. This is immediately useful for monitoring the brain for signs of trauma, including monitoring of oxygen delivery across the brain, mapping of hemoglobin concentration to detect hemorrhage, mapping of water content to monitor edema, and mapping of tissue density to monitor swelling. A simple in vivo brain injury example is presented to demonstrate recovery of these parameters. Finally, to demonstrate the spatial, spectral and temporal resolution of the SLI-CTIS system, measurements were performed on in vivo mouse brain during seizure with electroencephalography (EEG) confirmation.

  7. Use of spectral acceleration data for determination of three-dimensional attenuation structure in the Pithoragarh region of Kumaon Himalaya

    NASA Astrophysics Data System (ADS)

    Joshi, A.; Mohanty, M.; Bansal, A. R.; Dimri, V. P.; Chadha, R. K.

    2010-04-01

    Three-dimensional attenuation structures are related to the subsurface heterogeneities present in the earth crust. An algorithm for estimation of three-dimensional attenuation structure in the part of Garhwal Himalaya, India has been presented by Joshi (Curr Sci 90:581-585, 2006b; Nat Hazards 43:129-146, 2007). In continuation of our earlier approach, we have presented a method in which strong motion data have been used to estimate frequency-dependent three-dimensional attenuation structure of the region. The border district of Pithoragarh in the Higher Himalaya, India, lies in the central seismic gap region of Himalaya. This region falls in the seismic zones IV and V of the seismic zoning map of India. A dense network consisting of eight accelerographs has been installed in this region. This network has recorded several local events. An algorithm based on inversion of strong motion digital data is developed in this paper to estimate attenuation structure at different frequencies using the data recorded by this network. Twenty strong motion records observed at five stations have been used to estimate the site amplification factors using inversion algorithm defined in this paper. Site effects obtained from inversion has been compared with that obtained using Nakamura (1988) and Lermo et al. (Bull Seis Soc Am 83:1574-1594, 1993) approach. The obtained site amplification term has been used for correcting spectral acceleration data at different stations. The corrected spectral acceleration data have been used as an input to the developed algorithm to avoid effect of near-site soil amplification term. The attenuation structure is estimated by dividing the entire area in several three-dimensional block of different frequency-dependent shear wave quality factor Q β ( f). The input to this algorithm is the spectral acceleration of S phase of the corrected accelerogram. The outcome of the algorithm is given in terms of attenuation coefficient and source acceleration

  8. Study on structural and spectral properties of isobavachalcone and 4-hydroxyderricin by computational method

    NASA Astrophysics Data System (ADS)

    Rong, Yuzhi; Wu, Jinhong; Liu, Xing; Zhao, Bo; Wang, Zhengwu

    Isobavachalcone and 4-hydroxyderricin, two major chalcone constituents isolated from the roots of Angelica keiskei KOIDZUMI, exhibit numerous biological activities. Quantum chemical methods have been employed to investigate their structural and spectral properties. The ground state structures were optimized using density functional B3LYP method with 6-311G (d, p) basis set in both gas and solvent phases. Based on the optimized geometries, the harmonic vibrational frequency, the 1H and 13C nuclear magnetic resonance (NMR) chemical shift using the GIAO method were calculated at the same level of theory, with the aim of verifying the experimental values. Results reveal that B3LYP has been a good method to study their vibrational spectroscopic and NMR spectral properties of the two chalcones. The electronic absorption spectra were calculated using the time-dependent density functional theory (TDDFT) method. The solvent polarity effects were considered and calculated using the polarizable continuum model (PCM). Results also show that substitutions of different electron donating groups can alter the absorption properties and shift the spectra to a higher wavelength region.

  9. Structure of P3HT crystals, thin films, and solutions by UV/Vis spectral analysis.

    PubMed

    Böckmann, Marcus; Schemme, Thomas; de Jong, Djurre H; Denz, Cornelia; Heuer, Andreas; Doltsinis, Nikos L

    2015-11-21

    Optical absorption spectra of poly(3-hexylthiophene) (P3HT) are calculated in solution, spin-coated thin films, and the bulk crystal using a multiscale simulation approach. The structure of the amorphous thin film is obtained from coarse grained molecular dynamics (MD) simulations and subsequent back-mapping onto an atomistic force field representation. The absorption spectra are computed using TDDFT by statistically averaging over an ensemble of molecules taken from the MD simulations. Experimental UV/Vis spectra of spin-coated thin films and solutions are recorded with varying ratios of 'good' versus 'poor' solvent. The theoretical approach is able to faithfully predict the spectral position in the various phases and offers fundamental insight into the cause of any spectral shifts. The position of the main absorption peak is found to be chiefly determined by the level of torsion between the thiophene rings inside each molecule, while intermolecular effects are less important. Hence, optical absorption spectra hold valuable clues about the microscopic structure of disordered P3HT phases. PMID:26443229

  10. Structure and spectral properties of triphenylamine dye functionalized with 3,4-propylenedioxythiophene

    NASA Astrophysics Data System (ADS)

    Minaev, B. F.; Baryshnikov, G. V.; Slepets, A. A.

    2012-06-01

    Based on the density functional theory with the B3LYP, BMK, and PBE1PBE hybrid functionals and 6-31G( d) atomic-orbital basis set, the structure and electronic-spectral properties of a triphenylamine dye sensitizer for photoelectric converters that is functionalized with 3,4-propylenedioxythiophene have been studied. The nature of an intense color of the sensitizer is elucidated. The relation of the orbital structure of the first excited state to the mechanism by which the intensity and polarization of the visible absorption band are formed, as well as the electron injection efficiency into the conduction band of titanium oxide, are explained. In terms of the Bader theory, a complete analysis of the electron density distribution in the dye molecule under study has been performed and the role played by nonvalent interactions in its stabilization has been determined.

  11. Spectral tuning of Amazon parrot feather coloration by psittacofulvin pigments and spongy structures.

    PubMed

    Tinbergen, Jan; Wilts, Bodo D; Stavenga, Doekele G

    2013-12-01

    The feathers of Amazon parrots are brightly coloured. They contain a unique class of pigments, the psittacofulvins, deposited in both barbs and barbules, causing yellow or red coloured feathers. In specific feather areas, spongy nanostructured barb cells exist, reflecting either in the blue or blue-green wavelength range. The blue-green spongy structures are partly enveloped by a blue-absorbing, yellow-colouring pigment acting as a spectral filter, thus yielding a green coloured barb. Applying reflection and transmission spectroscopy, we characterized the Amazons' pigments and spongy structures, and investigated how they contribute to the feather coloration. The reflectance spectra of Amazon feathers are presumably tuned to the sensitivity spectra of the visual photoreceptors. PMID:24031051

  12. Fine spectral structures in Jovian decametric radio emission observed by ground-based radio telescope.

    NASA Astrophysics Data System (ADS)

    Panchenko, M.; Brazhenko, A. I.; Shaposhnikov, V. E.; Konovalenko, A. A.; Rucker, H. O.

    2014-04-01

    Jupiter with the largest planetary magnetosphere in the solar system emits intense coherent non-thermal radio emission in a wide frequency range. This emission is a result of a complicated interaction between the dynamic Jovian magnetosphere and energetic particles supplying the free energy from planetary rotation and the interaction between Jupiter and the Galilean moons. Decametric radio emission (DAM) is the strongest component of Jovian radiation observed in a frequency range from few MHz up to 40 MHz. This emission is generated via cyclotron maser mechanism in sources located along Jovian magnetic field lines. Depending on the time scales the Jovian DAMexhibits different complex spectral structures. We present the observations of the Jovian decametric radio emission using the large ground-based radio telescope URAN- 2 (Poltava, Ukraine) operated in the decametric frequency range. This telescope is one of the largest low frequency telescopes in Europe equipped with high performance digital radio spectrometers. The antenna array of URAN-2 consists of 512 crossed dipoles with an effective area of 28 000m2 and beam pattern size of 3.5 x 7 deg. (at 25 MHz). The instrument enables continuous observations of the Jovian radio during long period of times. Jovian DAM was observed continuously since Sep. 2012 (depending on Jupiter visibility) with relatively high time-frequency resolution (4 kHz - 100ms) in the broad frequency range (8-32MHz). We have detected a big amount of the fine spectral structures in the dynamic spectra of DAM such as trains of S-bursts, quasi-continuous narrowband emission, narrow-band splitting events and zebra stripe-like patterns. We analyzed mainly the fine structures associated with non-Io controlled DAM. We discuss how the observed narrowband structures which most probably are related to the propagation of the decametric radiation in the Jupiter's ionosphere can be used to study the plasma parameters in the inner Jovian magnetosphere.

  13. Mixed-grass prairie canopy structure and spectral reflectance vary with topographic position.

    PubMed

    Phillips, Rebecca L; Ngugi, Moffatt K; Hendrickson, John; Smith, Aaron; West, Mark

    2012-11-01

    Managers of the nearly 0.5 million ha of public lands in North and South Dakota, USA rely heavily on manual measurements of canopy height in autumn to ensure conservation of grassland structure for wildlife and forage for livestock. However, more comprehensive assessment of vegetation structure could be achieved for mixed-grass prairie by integrating field survey, topographic position (summit, mid and toeslope) and spectral reflectance data. Thus, we examined the variation of mixed-grass prairie structural attributes (canopy leaf area, standing crop mass, canopy height, nitrogen, and water content) and spectral vegetation indices (VIs) with variation in topographic position at the Grand River National Grassland (GRNG), South Dakota. We conducted the study on a 36,000-ha herbaceous area within the GRNG, where randomly selected plots (1 km(2) in size) were geolocated and included summit, mid and toeslope positions. We tested for effects of topographic position on measured vegetation attributes and VIs calculated from Landsat TM and Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) data collected in July 2010. Leaf area, standing crop mass, canopy height, nitrogen, and water content were lower at summits than at toeslopes. The simple ratio of Landsat Band 7/Band 1 (SR71) was the VI most highly correlated with canopy standing crop and height at plot and landscape scales. Results suggest field and remote sensing-based grassland assessment techniques could more comprehensively target low structure areas at minimal expense by layering modeled imagery over a landscape stratified into topographic position groups. PMID:22961614

  14. Heat-induced changes to lipid molecular structure in Vimy flaxseed: Spectral intensity and molecular clustering

    NASA Astrophysics Data System (ADS)

    Yu, Peiqiang; Damiran, Daalkhaijav

    2011-06-01

    Autoclaving was used to manipulate nutrient utilization and availability. The objectives of this study were to characterize any changes of the functional groups mainly associated with lipid structure in flaxseed ( Linum usitatissimum, cv. Vimy), that occurred on a molecular level during the treatment process using infrared Fourier transform molecular spectroscopy. The parameters included lipid CH 3 asymmetric (ca. 2959 cm -1), CH 2 asymmetric (ca. 2928 cm -1), CH 3 symmetric (ca. 2871 cm -1) and CH 2 symmetric (ca. 2954 cm -1) functional groups, lipid carbonyl C dbnd O ester group (ca. 1745 cm -1), lipid unsaturation group (CH attached to C dbnd C) (ca. 3010 cm -1) as well as their ratios. Hierarchical cluster analysis (CLA) and principal components analysis (PCA) were conducted to identify molecular spectral differences. Flaxseed samples were kept raw for the control or autoclaved in batches at 120 °C for 20, 40 or 60 min for treatments 1, 2 and 3, respectively. Molecular spectral analysis of lipid functional group ratios showed a significant decrease ( P < 0.05) in the CH 2 asymmetric to CH 3 asymmetric stretching band peak intensity ratios for the flaxseed. There were linear and quadratic effects ( P < 0.05) of the treatment time from 0, 20, 40 and 60 min on the ratios of the CH 2 asymmetric to CH 3 asymmetric stretching vibration intensity. Autoclaving had no significant effect ( P > 0.05) on lipid carbonyl C dbnd O ester group and lipid unsaturation group (CH attached to C dbnd C) (with average spectral peak area intensities of 138.3 and 68.8 IR intensity units, respectively). Multivariate molecular spectral analyses, CLA and PCA, were unable to make distinctions between the different treatment original spectra at the CH 3 and CH 2 asymmetric and symmetric region (ca. 2988-2790 cm -1). The results indicated that autoclaving had an impact to the mid-infrared molecular spectrum of flaxseed to identify heat-induced changes in lipid conformation. A future study

  15. Comparative modeling of InP solar cell structures

    NASA Technical Reports Server (NTRS)

    Jain, R. K.; Weinberg, I.; Flood, D. J.

    1991-01-01

    The comparative modeling of p(+)n and n(+)p indium phosphide solar cell structures is studied using a numerical program PC-1D. The optimal design study has predicted that the p(+)n structure offers improved cell efficiencies as compared to n(+)p structure, due to higher open-circuit voltage. The various cell material and process parameters to achieve the maximum cell efficiencies are reported. The effect of some of the cell parameters on InP cell I-V characteristics was studied. The available radiation resistance data on n(+)p and p(+)p InP solar cells are also critically discussed.

  16. Estimating leaf chlorophyll of barley at different growth stages using spectral indices to reduce soil background and canopy structure effects

    NASA Astrophysics Data System (ADS)

    Yu, Kang; Lenz-Wiedemann, Victoria; Chen, Xinping; Bareth, Georg

    2014-11-01

    Monitoring in situ chlorophyll (Chl) content in agricultural crop leaves is of great importance for stress detection, nutritional state diagnosis, yield prediction and studying the mechanisms of plant and environment interaction. Numerous spectral indices have been developed for chlorophyll estimation from leaf- and canopy-level reflectance. However, in most cases, these indices are negatively affected by variations in canopy structure and soil background. The objective of this study was to develop spectral indices that can reduce the effects of varied canopy structure and growth stages for the estimation of leaf Chl. Hyperspectral reflectance data was obtained through simulation by a radiative transfer model, PROSAIL, and measurements from canopies of barley comprising different cultivars across growth stages using spectroradiometers. We applied a comprehensive band-optimization algorithm to explore five types of spectral indices: reflectance difference (RD), reflectance ratio (RR), normalized reflectance difference (NRD), difference of reflectance ratio (DRR) and ratio of reflectance difference (RRD). Indirectly using the multiple scatter correction (MSC) theory, we hypothesized that RRD can eliminate adverse effects of soil background, canopy structure and multiple scattering. Published indices and multivariate models such as optimum multiple band regression (OMBR), partial least squares regression (PLSR) and support vector machines for regression (SVR) were also employed. Results showed that the ratio of reflectance difference index (RRDI) optimized for simulated data significantly improved the correlation with Chl (R2 = 0.98, p < 0.0001) and was insensitive to LAI variations (1-8), compared to widely used indices such as MCARI/OSAVI (R2 = 0.64, p < 0.0001) and TCARI/OSAVI (R2 = 0.74, p < 0.0001). The RRDI optimized for barley explained 76% of the variation in Chl and outperformed multivariate models. However, the accuracy decreased when employing the indices

  17. Spectral Structure of Pc1 Geomagnetic Pulsations under Magnetically Quiet and Disturbed Conditions

    NASA Astrophysics Data System (ADS)

    Feygin, F. Z.; Khabazin, Yu. G.; Kleimenova, N. G.; Malysheva, L. M.

    2016-05-01

    The analysis of geomagnetic Pc1 pulsations recorded in 2006-2010 at the Scandinavian network of the induction magnetometers has been performed. It was found that the spectral structure of Pc1 pulsations was different under the quiet and disturbed magnetic conditions. Analysis of these data showed that in magnetically quiet conditions (Kp ~0-1), in more than 90% of cases, Pc1 pulsations were observed in a narrow frequency band of around 0.2-0.4 Hz with the central oscillation frequency in the series (wave packets) of ~ 0.5-0.7 Hz. Under the disturbed conditions (Kp ~ 2-3), the central frequency of Pc1 waves became almost twice greater (~ 1.0-1.2 Hz) and the spectral width increased up to ~ 0.5-0.7 Hz. The relation of the frequency spectrum width of Pc1 pulsations with magnetospheric parameters was theoretically studied. An analytical expression was obtained and the numerical calculations have been performed. The performed theoretical calculations showed that the evolution of the frequency width of the dynamic spectrum of the Pc1 wave packets depends on the magnetosphere plasma parameters. It was found that the Pc1 spectral width increases with decreasing of the proton thermal anisotropy. We suppose that under quiet conditions, the Pc1 generation can take place inside the plasmasphere but near the plasmapause located at higher L there were small VA values. During the disturbed periods, the Pc1 generation can take place outside the plasmasphere at lower L there were high VA values.

  18. Transregional zones of concentrated deformation: Structure, evolution, and comparative geodynamics

    NASA Astrophysics Data System (ADS)

    Leonov, M. G.

    2016-03-01

    The comparative tectonic characterization of transregional linear structures (zones of concentrated deformations) is given for the Pieniny Klippen Belt, the Main Mongolian Lineament, and the transregional Alpine Fault Zone. They represent significant geodynamic elements of the Earth's crust, which separate large crustal segments and reflect their interaction in time and space. The main features of the structure, evolution, and geodynamics inherent to zones of concentrated deformations are described. It is shown that the similarity of their outlines, morphology, internal structure, and kinematic features is combined with a clearly distinct structural position, set of rock associations, formation mechanism, and their role in the origin of mobile belts.

  19. Characterizing Woody Vegetation Spectral and Structural Parameters with a 3-D Scene Model

    NASA Astrophysics Data System (ADS)

    Qin, W.; Yang, L.

    2004-05-01

    Quantification of structural and biophysical parameters of woody vegetation is of great significance in understanding vegetation condition, dynamics and functionality. Such information over a landscape scale is crucial for global and regional land cover characterization, global carbon-cycle research, forest resource inventories, and fire fuel estimation. While great efforts and progress have been made in mapping general land cover types over large area, at present, the ability to quantify regional woody vegetation structural and biophysical parameters is limited. One approach to address this research issue is through an integration of physically based 3-D scene model with multiangle and multispectral remote sensing data and in-situ measurements. The first step of this work is to model woody vegetation structure and its radiation regime using a physically based 3-D scene model and field data, before a robust operational algorithm can be developed for retrieval of important woody vegetation structural/biophysical parameters. In this study, we use an advanced 3-D scene model recently developed by Qin and Gerstl (2000), based on L-systems and radiosity theories. This 3-D scene model has been successfully applied to semi-arid shrubland to study structure and radiation regime at a regional scale. We apply this 3-D scene model to a more complicated and heterogeneous forest environment dominated by deciduous and coniferous trees. The data used in this study are from a field campaign conducted by NASA in a portion of the Superior National Forest (SNF) near Ely, Minnesota during the summers of 1983 and 1984, and supplement data collected during our revisit to the same area of SNF in summer of 2003. The model is first validated with reflectance measurements at different scales (ground observations, helicopter, aircraft, and satellite). Then its ability to characterize the structural and spectral parameters of the forest scene is evaluated. Based on the results from this study

  20. Laser-induced fluorescence imaging of subsurface tissue structures with a volume holographic spatial-spectral imaging system.

    PubMed

    Luo, Yuan; Gelsinger-Austin, Paul J; Watson, Jonathan M; Barbastathis, George; Barton, Jennifer K; Kostuk, Raymond K

    2008-09-15

    A three-dimensional imaging system incorporating multiplexed holographic gratings to visualize fluorescence tissue structures is presented. Holographic gratings formed in volume recording materials such as a phenanthrenquinone poly(methyl methacrylate) photopolymer have narrowband angular and spectral transmittance filtering properties that enable obtaining spatial-spectral information within an object. We demonstrate this imaging system's ability to obtain multiple depth-resolved fluorescence images simultaneously. PMID:18794943

  1. Tertiary structure and spectral tuning of UV and violet pigments in vertebrates

    PubMed Central

    Yokoyama, Shozo; Starmer, William T.; Takahashi, Yusuke; Tada, Takashi

    2010-01-01

    Many vertebrate species use ultraviolet (UV) vision for such behaviors as mating, foraging, and communication. UV vision is mediated by UV-sensitive visual pigments, which have the wavelengths of maximal absorption (λmax) at ~360 nm, whereas violet (or blue) vision is mediated by orthologous pigments with λmax values of 390–440 nm. It is widely believed that amino acids in transmembrane (TM) I–III are solely responsible for the spectral tuning of these SWS1 pigments. Recent molecular analyses of SWS1 pigments, however, show that amino acids in TM IV–VII are also involved in the spectral tuning of these pigments through synergistic interactions with those in TM I–III. Comparisons of the tertiary structures of UV and violet pigments reveal that the distance between the counterion E113 in TM III and amino acid sites 87–93 in TM II is narrower for UV pigments than for violet pigments, which may restrict the access of water molecules to the Schiff base pocket and deprotonate the Schiff base nitrogen. Both mutagenesis analyses of E113Q and quantum chemical calculations strongly suggest that unprotonated Schiff base-linked chromophore is responsible for detecting UV light. PMID:16343816

  2. Asteroid surface archaeology: Identification of eroded impact structures by spectral properties on (4) Vesta

    NASA Astrophysics Data System (ADS)

    Hoffmann, M.; Nathues, A.; Schäfer, M.; Schmedemann, N.; Vincent, J.; Russell, C.

    2014-07-01

    excavation of deeper layers of Vesta's crust and gradients of space weathering, the latter showing up also at smaller highly eroded craters. As an example of the third type, a global mosaic demonstrates the relationship of reflectance level and band I depth. A non-uniform distribution appears, with an anomaly emerging from the large crater Albana in one of its sectors. This association seems to be caused by ejected material from this crater. Only the spectral signature has remained to identify the original pattern. The spectral properties appear to be related to an enhanced presence of shocked material [3] and impact glass [4]. Conclusions: Today's non-uniformity of impact structures, dominated by the Rheasilvia basin, reflects a singular event in a late stage of Vesta's surface evolution. Some earlier large impacts have left their footprints in specific remnants resembling the cases of lunar cryptomaria [5]. Vesta has escaped the fate of other differentiated protoplanets, which have been disrupted, but the crust has been shattered, which does not change the spatial distribution of the surface material entirely. This is associated with linear fragmentation features of various sizes (grabens, troughs, cracks, pit chains) which are correlated with some of the features described here.

  3. Comparative testing of nondestructive examination techniques for concrete structures

    NASA Astrophysics Data System (ADS)

    Clayton, Dwight A.; Smith, Cyrus M.

    2014-03-01

    A multitude of concrete-based structures are typically part of a light water reactor (LWR) plant to provide foundation, support, shielding, and containment functions. Concrete has been used in the construction of nuclear power plants (NPPs) because of three primary properties, its inexpensiveness, its structural strength, and its ability to shield radiation. Examples of concrete structures important to the safety of LWR plants include containment building, spent fuel pool, and cooling towers. Comparative testing of the various NDE concrete measurement techniques requires concrete samples with known material properties, voids, internal microstructure flaws, and reinforcement locations. These samples can be artificially created under laboratory conditions where the various properties can be controlled. Other than NPPs, there are not many applications where critical concrete structures are as thick and reinforced. Therefore, there are not many industries other than the nuclear power plant or power plant industry that are interested in performing NDE on thick and reinforced concrete structures. This leads to the lack of readily available samples of thick and heavily reinforced concrete for performing NDE evaluations, research, and training. The industry that typically performs the most NDE on concrete structures is the bridge and roadway industry. While bridge and roadway structures are thinner and less reinforced, they have a good base of NDE research to support their field NDE programs to detect, identify, and repair concrete failures. This paper will summarize the initial comparative testing of two concrete samples with an emphasis on how these techniques could perform on NPP concrete structures.

  4. Structural and Spectral Properties of Curcumin and Metal- Curcumin Complex Derived from Turmeric (Curcuma longa)

    NASA Astrophysics Data System (ADS)

    Bich, Vu Thi; Thuy, Nguyen Thi; Binh, Nguyen Thanh; Huong, Nguyen Thi Mai; Yen, Pham Nguyen Dong; Luong, Tran Thanh

    Structural and spectral properties of curcumin and metal- curcumin complex derived from turmeric (Curcuma longa) were studied by SEM and vibrational (FTIR and Raman) techniques. By comparison between curcumin commercial, fresh turmeric and a yellow powder obtained via extraction and purification of turmeric, we have found that this insoluble powder in water is curcumin. The yellow compound could complex with certain ion metal and this metal-curcumin coloring complex is water soluble and capable of producing varying hues of the same colors and having antimicrobial, cytotoxicity activities for use in foodstuffs and pharmacy. The result also demonstrates that Micro-Raman spec-troscopy is a valuable non-destructive tool and fast for investigation of a natural plant even when occurring in low concentrations.

  5. Attractors and Spectral Characteristics of Neural Structures Based on the Model of the Quantum Harmonic Oscillator

    SciTech Connect

    Rigatos, Gerasimos G.

    2007-09-06

    Neural computation based on principles of quantum mechanics can provide improved models of memory processes and brain functioning and is of importance for the realization of quantum computing machines. To this end, this paper studies neural structures with weights that follow the model of the quantum harmonic oscillator. These weights correspond to diffusing particles, which interact to each other as the theory of Brownian motion predicts. The learning of the stochastic weights (convergence of the diffusing particles to an equilibrium) is analyzed. In the case of associative memories the proposed neural model results in an exponential increase of the number of attractors. Spectral analysis shows that the stochastic weights satisfy an equation which is analogous to the principle of uncertainty.

  6. Growth, structure, spectral and optical properties of semiorganic crystal: Pyridine-1-ium-2-carboxylatehydrogenbromide.

    PubMed

    Gowri, S; Devi, T Uma; Priya, S; Dilip, C Surendra; Selvanayagam, S; Lawrence, N

    2015-05-15

    Pyridine-1-ium-2-carboxylatehydrogenbromide (PHBr) crystal was grown from aqueous solution by slow evaporation method. The calculated lattice parameters of single crystal X-ray diffraction have shown the triclinic crystal system with centrosymmetric space group of Pī. The interaction of functional groups and their importance in their application was identified by FTIR spectral analysis. The material is optically transparent and the grown crystal is having lower cut off wavelength as 294nm, thereby confirming the enhancement of non-linear optical (NLO) property and optical band gap of the PHBr have been determined as 2.49eV by UV-Vis-NIR studies. The (1)H NMR spectrum confirms the molecular structure and the presence of different kinds of protons. PMID:25727296

  7. Spectrally encoded optical fibre sensor systems and their application in process control, environmental and structural monitoring

    NASA Astrophysics Data System (ADS)

    Willsch, Reinhardt; Ecke, Wolfgang; Schwotzer, Gunter

    2005-09-01

    Different types of advanced optical fibre sensor systems using similar spectral interrogation principles and potential low-cost polychromator optoelectronic signal processing instrumentation will be presented, and examples of their industrial application are demonstrated. These are such sensors as multimode fibre based humidity, temperature, and pressure sensors with extrinsic microoptical Fabry-Perot transducers for process control in gas industry, UV absorption evanescent field sensors for organic pollution monitoring in groundwater, and single mode fibre Bragg grating (FBG) multiplexed strain & vibration and temperature sensor networks for structural health monitoring applications in electric power facilities, aerospace, railways, geotechnical and civil engineering. Recent results of current investigations applying FBGs and microstructured fibres for chemical sensing will be discussed.

  8. Structure and comparative morphology of camptotrichia of lungfish fins.

    PubMed

    Geraudie, J; Meunier, F J

    1984-01-01

    The present work is devoted to the organization and ultrastructure of the fin rays or camptotrichia of two living Dipnoi (lungfishes) Protopterus and Neoceratodus. In both species, these rods have a dual structure: only the superficial region facing the stratified epidermis is mineralized while the deep one is made of a dense unmineralized network of collagen fibrils forming a permanent pre-osseous tissue. Only the camptotrichia of Neoceratodus is made of cellular bone. This study confirms the structural peculiarities of these camptotrichia when compared to the dermal skeleton of the Actinopterygii constituted by the bony lepidotrichia and the actinotrichia. These results are discussed and compared to fossil dipnoan fin rays. PMID:6740649

  9. Shallow structure of the Cascadia subduction zone beneath western Washington from spectral ambient noise correlation

    NASA Astrophysics Data System (ADS)

    Calkins, Josh A.; Abers, Geoffrey A.; EkströM, GöRan; Creager, Kenneth C.; Rondenay, StéPhane

    2011-07-01

    High-resolution 3-D shear velocity (Vs) images of the western Washington lithosphere reveal structural segmentation above and below the plate interface correlating with transient deformation patterns. Using a spectral technique, phase velocities are extracted from cross-correlated ambient noise recorded by the densely spaced "CAFE" broadband array. The spectral approach resolves shear velocities at station offsets less than 1 wavelength, significantly shorter than typically obtained by standard group velocity approaches, increasing the number of useable paths and resolution. Tomographic images clearly illuminate the high Vs (>4.5 km/s) subducting slab mantle. The most prominent anomaly is a zone of low Vs (3.0-3.3 km/s) in the middle to lower continental crust, directly above the portion of the slab expected to be undergoing dehydration reactions. This low-velocity zone (LVZ), which is most pronounced beneath the Olympic Peninsula, covers an area both spatially coincident with and updip of the region of most intense episodic tremor and slip (ETS). The low Vs and comparison with published P wave velocity models indicate that Vp/Vs ratios in this region are greater than 1.9, suggesting a fluid-rich lower crust. The LVZ disappears southward, near 47°N, coincident with sharp decreases in intraslab seismicity and ETS activity as well as structural changes in the slab. The spatial coincidence of these features suggests that either underthrusting of hydrated low-velocity material or long-term fluid fluxing of the overriding plate via dewatering of a persistently hydrated patch of the Juan de Fuca slab may partially control slip on the plate interface and impact the rheology of the overriding continental crust.

  10. Synthesis, spectral characterization, crystal structure and molecular docking study of 2,7-diaryl-1,4-diazepan-5-ones

    NASA Astrophysics Data System (ADS)

    Sethuvasan, S.; Sugumar, P.; Maheshwaran, V.; Ponnuswamy, M. N.; Ponnuswamy, S.

    2016-07-01

    In this study, a series of variously substituted r-2,c-7-diaryl-1,4-diazepan-5-ones 9-16 have been synthesized using Schmidt rearrangement and are characterized by IR, mass and 1D & 2D NMR spectral data. The proton NMR coupling constant and estimated dihedral angles reveal that the compounds 9-16 prefer a chair conformation with equatorial orientation of alkyl and aryl groups. Single crystal X-ray structure has been solved for compounds 9 and 11 which also indicates the preference for distorted chair conformation with equatorial orientation of substituents. The compounds 9-16 have been docked with the structure of Methicillin-resistant Staphylococcus aureus (MRSA) and the results demonstrate that compound 10 is having better docking score and glide energy than others and it is comparable to co-crystal ligand. Furthermore, all the compounds have been evaluated for their antibacterial and antioxidant activities. All the compounds show moderate antibacterial activity and only 11 exhibits better activity against S. aures and Escherichia coli. The compounds 11, 13 and 14 exhibit half of the antioxidant power when compared to the BHT and the remaining compounds show moderate activity.

  11. Synthesis, spectral characterization, crystal structure and molecular docking study of 2,7-diaryl-1,4-diazepan-5-ones

    NASA Astrophysics Data System (ADS)

    Sethuvasan, S.; Sugumar, P.; Maheshwaran, V.; Ponnuswamy, M. N.; Ponnuswamy, S.

    2016-07-01

    In this study, a series of variously substituted r-2,c-7-diaryl-1,4-diazepan-5-ones 9-16 have been synthesized using Schmidt rearrangement and are characterized by IR, mass and 1D & 2D NMR spectral data. The proton NMR coupling constant and estimated dihedral angles reveal that the compounds 9-16 prefer a chair conformation with equatorial orientation of alkyl and aryl groups. Single crystal X-ray structure has been solved for compounds 9 and 11 which also indicates the preference for distorted chair conformation with equatorial orientation of substituents. The compounds 9-16 have been docked with the structure of Methicillin-resistant Staphylococcus aureus (MRSA) and the results demonstrate that compound 10 is having better docking score and glide energy than others and it is comparable to co-crystal ligand. Furthermore, all the compounds have been evaluated for their antibacterial and antioxidant activities. All the compounds show moderate antibacterial activity and only 11 exhibits better activity against S. aures and Escherichia coli. The compounds 11, 13 and 14 exhibit half of the antioxidant power when compared to the BHT and the remaining compounds show moderate activity.

  12. Micro- and nanophotonic structures in the visible and near infrared spectral region for optical devices

    NASA Astrophysics Data System (ADS)

    Pham, Van Hoi; Bui, Huy; Van Nguyen, Thuy; Nguyen, The Anh; Son Pham, Thanh; Cam Hoang, Thi Hong; Ngo, Quang Minh

    2013-06-01

    In this paper we present some research results on the micro and nano-photonic structures in the visible and near infrared spectral region for optical devices that have been done within the framework of Nanoscience and Nanotechnology Program of Institute of Materials Science. In the first part, we report the design and fabrication of 1D photonic structure based on porous silicon layers fabricated by electrochemical etching method and some of their potential applications such as optical filters, microcavity and optical sensors for distinguishing the content of bio-gasoline. In addition, we demonstrate some results on preparation of the 2D and 3D nanophotonic structures based on silica opal layers prepared by sol-gel and self-assembled methods. In the second part, we demonstrate the results of lasing emissions of erbium ions in the visible and near infrared zone from microcavity. The observation of emission of single-mode green light at the wavelength of 537 nm from erbium ions in the microcavity is interesting for the study of atom-photon interaction phenomenon. In the last part, we will show some new results of design and fabrication of nanocomposite based on nanoscale TiO2 and/or ZnO and nanoparticles of semiconductors and metals, which are oriented to the fabrication of energy conversion and photo-reactor devices. Invited talk at the 6th International Workshop on Advanced Materials Science and Nanotechnology IWAMSN2012, 30 October-2 November, 2012, Ha Long, Vietnam.

  13. Electrically tunable infrared filter based on the liquid crystal Fabry-Perot structure for spectral imaging detection.

    PubMed

    Zhang, Huaidong; Muhammmad, Afzal; Luo, Jun; Tong, Qing; Lei, Yu; Zhang, Xinyu; Sang, Hongshi; Xie, Changsheng

    2014-09-01

    An electrically tunable infrared (IR) filter based on the liquid crystal (LC) Fabry-Perot (FP) key structure, which works in the wavelength range from 5.5 to 12 μm, is designed and fabricated successfully. Both planar reflective mirrors with a very high reflectivity of ∼95%, which are shaped by depositing a layer of aluminum (Al) film over one side of a double-sided polished zinc selenide wafer, are coupled into a dual-mirror FP cavity. The LC materials are filled into the FP cavity with a thickness of ∼7.5  μm for constructing the LC-FP filter, which is a typical type of sandwich architecture. The top and bottom mirrors of the FP cavity are further coated by an alignment layer with a thickness of ∼100  nm over Al film. The formed alignment layer is rubbed strongly to shape relatively deep V-grooves to anchor LC molecules effectively. Common optical tests show some particular properties; for instance, the existing three transmission peaks in the measured wavelength range, the minimum full width at half-maximum being ∼120  nm, and the maximum adjustment extent of the imaging wavelength being ∼500  nm through applying the voltage driving signal with a root mean square (RMS) value ranging from 0 to ∼19.8  V. The experiment results are consistent with the simulation, according to our model setup. The spectral images obtained in the long-wavelength IR range, through the LC-FP device driven by the voltage signal with a different RMS value, demonstrates the prospect of the realization of smart spectral imaging and further integrating the LC-FP filter with IR focal plane arrays. The developed LC-FP filters show some advantages, such as electrically tunable imaging wavelength, very high structural and photoelectronic response stability, small size and low power consumption, and a very high filling factor of more than 95% compared with common MEMS-FP spectral imaging approaches. PMID:25321356

  14. Spectral stratigraphy

    NASA Technical Reports Server (NTRS)

    Lang, Harold R.

    1991-01-01

    A new approach to stratigraphic analysis is described which uses photogeologic and spectral interpretation of multispectral remote sensing data combined with topographic information to determine the attitude, thickness, and lithology of strata exposed at the surface. The new stratigraphic procedure is illustrated by examples in the literature. The published results demonstrate the potential of spectral stratigraphy for mapping strata, determining dip and strike, measuring and correlating stratigraphic sequences, defining lithofacies, mapping biofacies, and interpreting geological structures.

  15. Spectral Interaction of the LES subgrid-stress and coherent structures

    NASA Astrophysics Data System (ADS)

    Calaf, Marc; Hultmark, Marcus; Oldroyd, Holly; Parlange, Marc

    2013-04-01

    Over the last ten to fifteen years the existence of coherent structures in turbulent flows has been subject of many debates. Is turbulence as chaotic as it is thought to be, or does it exist some sort of order and hierarchy? Winter 2012 offered us the occasion to further investigate into this subject given that natural evaporation over lake Geneva acted as a direct PIV tracer of the wind flow. Given the unusual low temperatures over central and northern Europe, and the fact that lake Geneva's water was still warm after an intense summer, large amounts of evaporation took place over lake Geneva. These phenomena coupled with the strong predominating winds on that specific region, made the emanating fog a natural tracer of the turbulent flow. Coherent streaks of water vapor were observed with digital photography and captured together with the flow field by means of Wind LiDar measurements. Proper Orthogonal Decomposition (POD) technique has been used to treat the data. Results show a correlation between the water vapor modes and the turbulent flow field modes, a sign that turbulence might not be as random as we thought. Further, the turbulent spectra has been recomposed with the projection of POD modes back into the original signal, allowing to better understand the influence of these coherent structures into the turbulent energy cascade. The size and distribution of the measured structures overlaps with the spectral region modeled by means of the Large Eddy Simulations subgrid-stress (SGS). In the present study, the role and relevance of these coherent structures into the subgrid-stress will be presented.

  16. Temperature dependence of aggregated structure of β-carotene by absorption spectral experiment and simulation

    NASA Astrophysics Data System (ADS)

    Lu, Liping; Wu, Jie; Wei, Liangshu; Wu, Fang

    2016-12-01

    β-carotene can self-assemble to form J- or H-type aggregate in hydrophilic environments, which is crucial for the proper functioning of biological system. Although several ways controlling the formation of the two types of aggregate in hydrated ethanol have been investigated in recent years, our study provided another way to control whether J- or H- β-carotene was formed and presented a method to investigate the aggregated structure. For this purpose, the aggregates of β-carotene formed at different temperatures were studied by UV-Vis spectra and a computational method based on Frenkel exciton was applied to simulate the absorption spectra to obtain the aggregated structure of the β-carotene. The analysis showed that β-carotene formed weakly coupled H-aggregate at 15 °C in 1:1 ethanol-water solvent, and with the increase of temperature it tended to form J-type of aggregate. The absorption spectral simulation based on one-dimensional Frenkel exciton model revealed that good fit with the experiment was obtained with distance between neighbor molecules r = 0.82 nm, disorder of the system D = 1500 cm- 1 for H-type and r = 1.04 nm, D = 1800 cm- 1 for J-type.

  17. Spectrally tuned structural and pigmentary coloration of birdwing butterfly wing scales.

    PubMed

    Wilts, Bodo D; Matsushita, Atsuko; Arikawa, Kentaro; Stavenga, Doekele G

    2015-10-01

    The colourful wing patterns of butterflies play an important role for enhancing fitness; for instance, by providing camouflage, for interspecific mate recognition, or for aposematic display. Closely related butterfly species can have dramatically different wing patterns. The phenomenon is assumed to be caused by ecological processes with changing conditions, e.g. in the environment, and also by sexual selection. Here, we investigate the birdwing butterflies, Ornithoptera, the largest butterflies of the world, together forming a small genus in the butterfly family Papilionidae. The wings of these butterflies are marked by strongly coloured patches. The colours are caused by specially structured wing scales, which act as a chirped multilayer reflector, but the scales also contain papiliochrome pigments, which act as a spectral filter. The combined structural and pigmentary effects tune the coloration of the wing scales. The tuned colours are presumably important for mate recognition and signalling. By applying electron microscopy, (micro-)spectrophotometry and scatterometry we found that the various mechanisms of scale coloration of the different birdwing species strongly correlate with the taxonomical distribution of Ornithoptera species. PMID:26446560

  18. Temperature dependence of aggregated structure of β-carotene by absorption spectral experiment and simulation.

    PubMed

    Lu, Liping; Wu, Jie; Wei, Liangshu; Wu, Fang

    2016-12-01

    β-carotene can self-assemble to form J- or H-type aggregate in hydrophilic environments, which is crucial for the proper functioning of biological system. Although several ways controlling the formation of the two types of aggregate in hydrated ethanol have been investigated in recent years, our study provided another way to control whether J- or H- β-carotene was formed and presented a method to investigate the aggregated structure. For this purpose, the aggregates of β-carotene formed at different temperatures were studied by UV-Vis spectra and a computational method based on Frenkel exciton was applied to simulate the absorption spectra to obtain the aggregated structure of the β-carotene. The analysis showed that β-carotene formed weakly coupled H-aggregate at 15°C in 1:1 ethanol-water solvent, and with the increase of temperature it tended to form J-type of aggregate. The absorption spectral simulation based on one-dimensional Frenkel exciton model revealed that good fit with the experiment was obtained with distance between neighbor molecules r=0.82nm, disorder of the system D=1500cm(-1) for H-type and r=1.04nm, D=1800cm(-1) for J-type. PMID:27348046

  19. A Spectral Element Approach for Modeling of Wave-Based Structural Health Monitoring Systems

    SciTech Connect

    Schulte, Rolf T.; Fritzen, Claus-Peter

    2010-09-30

    During the last decades, guided waves have shown great potential for Structural Health Monitoring (SHM) applications. These waves can be excited and sensed by piezoelectric elements that can be permanently attached onto a structure offering online monitoring capability. As the setup of wave based SHM systems may be very difficult and time consuming there is a growing demand for efficient simulation tools providing the opportunity to design wave based SHM systems in a virtual environment. As usually high frequency waves are used, the associated short wavelength leads to the necessity of a very dense mesh, which makes conventional finite elements not well suited for this purpose. Therefore a flat shell spectral element approach is presented in this contribution. By including electromechanical coupling an SHM system can be simulated entirely from actuator voltage to sensor voltage. The focus of this contribution is the analysis of the effect of delaminations on propagating waves. A forward increment Lagrange multiplier method is used to simulate contact within the delaminated area. A model validation is performed using measured data of an anisotropic CFRP-plate.

  20. Accuracy of functional surfaces on comparatively modeled protein structures

    PubMed Central

    Zhao, Jieling; Dundas, Joe; Kachalo, Sema; Ouyang, Zheng; Liang, Jie

    2012-01-01

    Identification and characterization of protein functional surfaces are important for predicting protein function, understanding enzyme mechanism, and docking small compounds to proteins. As the rapid speed of accumulation of protein sequence information far exceeds that of structures, constructing accurate models of protein functional surfaces and identify their key elements become increasingly important. A promising approach is to build comparative models from sequences using known structural templates such as those obtained from structural genome projects. Here we assess how well this approach works in modeling binding surfaces. By systematically building three-dimensional comparative models of proteins using Modeller, we determine how well functional surfaces can be accurately reproduced. We use an alpha shape based pocket algorithm to compute all pockets on the modeled structures, and conduct a large-scale computation of similarity measurements (pocket RMSD and fraction of functional atoms captured) for 26,590 modeled enzyme protein structures. Overall, we find that when the sequence fragment of the binding surfaces has more than 45% identity to that of the tempalte protein, the modeled surfaces have on average an RMSD of 0.5 Å, and contain 48% or more of the binding surface atoms, with nearly all of the important atoms in the signatures of binding pockets captured. PMID:21541664

  1. Photovoltaic spectral responsivity measurements

    SciTech Connect

    Emery, K.; Dunlavy, D.; Field, H.; Moriarty, T.

    1998-09-01

    This paper discusses the various elemental random and nonrandom error sources in typical spectral responsivity measurement systems. The authors focus specifically on the filter and grating monochrometer-based spectral responsivity measurement systems used by the Photovoltaic (PV) performance characterization team at NREL. A variety of subtle measurement errors can occur that arise from a finite photo-current response time, bandwidth of the monochromatic light, waveform of the monochromatic light, and spatial uniformity of the monochromatic and bias lights; the errors depend on the light source, PV technology, and measurement system. The quantum efficiency can be a function of he voltage bias, light bias level, and, for some structures, the spectral content of the bias light or location on the PV device. This paper compares the advantages and problems associated with semiconductor-detector-based calibrations and pyroelectric-detector-based calibrations. Different current-to-voltage conversion and ac photo-current detection strategies employed at NREL are compared and contrasted.

  2. Comparative research on the transmission-mode GaAs photocathodes of exponential-doping structures

    NASA Astrophysics Data System (ADS)

    Chen, Liang; Qian, Yun-Sheng; Zhang, Yi-Jun; Chang, Ben-Kang

    2012-03-01

    Early research has shown that the varied doping structures of the active layer of GaAs photocathodes have been proven to have a higher quantum efficiency than uniform doping structures. On the basis of our early research on the surface photovoltage of GaAs photocathodes, and comparative research before and after activation of reflection-mode GaAs photocathodes, we further the comparative research on transmission-mode GaAs photocathodes. An exponential doping structure is the typical varied doping structure that can form a uniform electric field in the active layer. By solving the one-dimensional diffusion equation for no equilibrium minority carriers of transmission-mode GaAs photocathodes of the exponential doping structure, we can obtain the equations for the surface photovoltage (SPV) curve before activation and the spectral response curve (SRC) after activation. Through experiments and fitting calculations for the designed material, the body-material parameters can be well fitted by the SPV before activation, and proven by the fitting calculation for SRC after activation. Through the comparative research before and after activation, the average surface escape probability (SEP) can also be well fitted. This comparative research method can measure the body parameters and the value of SEP for the transmission-mode GaAs photocathode more exactly than the early method, which only measures the body parameters by SRC after activation. It can also help us to deeply study and exactly measure the parameters of the varied doping structures for transmission-mode GaAs photocathodes, and optimize the Cs-O activation technique in the future.

  3. Relation of Spectral and Physiological Properties to Leaf Structural Characteristics of Arsenic Treated Rice Plants

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Arsenic (As) is a widely spread soil contaminant which can cause toxicity in plants. Although many studies have investigated the spectral characteristics of affected plants, the extent to which different toxicities may result in correspondingly different spectral signatures has received little atte...

  4. Structural and Spectral Features of Selenium Nanospheres Produced by Se-Respiring Bacteria

    PubMed Central

    Oremland, Ronald S.; Herbel, Mitchell J.; Blum, Jodi Switzer; Langley, Sean; Beveridge, Terry J.; Ajayan, Pulickel M.; Sutto, Thomas; Ellis, Amanda V.; Curran, Seamus

    2004-01-01

    Certain anaerobic bacteria respire toxic selenium oxyanions and in doing so produce extracellular accumulations of elemental selenium [Se(0)]. We examined three physiologically and phylogenetically diverse species of selenate- and selenite-respiring bacteria, Sulfurospirillum barnesii, Bacillus selenitireducens, and Selenihalanaerobacter shriftii, for the occurrence of this phenomenon. When grown with selenium oxyanions as the electron acceptor, all of these organisms formed extracellular granules consisting of stable, uniform nanospheres (diameter, ∼300 nm) of Se(0) having monoclinic crystalline structures. Intracellular packets of Se(0) were also noted. The number of intracellular Se(0) packets could be reduced by first growing cells with nitrate as the electron acceptor and then adding selenite ions to washed suspensions of the nitrate-grown cells. This resulted in the formation of primarily extracellular Se nanospheres. After harvesting and cleansing of cellular debris, we observed large differences in the optical properties (UV-visible absorption and Raman spectra) of purified extracellular nanospheres produced in this manner by the three different bacterial species. The spectral properties in turn differed substantially from those of amorphous Se(0) formed by chemical oxidation of H2Se and of black, vitreous Se(0) formed chemically by reduction of selenite with ascorbate. The microbial synthesis of Se(0) nanospheres results in unique, complex, compacted nanostructural arrangements of Se atoms. These arrangements probably reflect a diversity of enzymes involved in the dissimilatory reduction that are subtly different in different microbes. Remarkably, these conditions cannot be achieved by current methods of chemical synthesis. PMID:14711625

  5. Methodology for assessment of structural vibrations by spectral domain optical coherence tomography

    NASA Astrophysics Data System (ADS)

    Gao, Simon S.; Raphael, Patrick; Xia, Anping; Park, Jesung; Carbajal, Esteban; Applegate, Brian E.; Oghalai, John S.

    2012-02-01

    Clinical diagnosis of cochlear dysfunction typically remains incomplete due to a lack of proper diagnostic methods. Medical imaging modalities can only detect gross changes in the cochlea, and non-invasive in vivo cochlear measurements are scarce. As a result, extensive efforts have been made to adapt optical coherence tomography (OCT) techniques to analyze and study the cochlea. Herein, we detail the methods for measuring vibration using OCT. We used spectral domain OCT with ~950 nm as the center wavelength and a bandwidth of ~80 nm. The custom spectrometer used was based on a high speed line scan camera which is capable of line rates up to 28 kHz. The signal-to- noise ratio of the system was ~90 dB. The data collection and processing software was written in LabVIEW and MATLAB. We tested whether streaming directly from the camera, writing the data to multiple hard drives in the RAID- 0 configuration, and processing using the GPU shortened experiment times. We then analyzed the A-line phase noise over several hundred milliseconds and growth curves from a piezoelectric element. We believe this is the first step towards a diagnostic device which generates vibration information of cochlear structures.

  6. Discrimination of the spectral structures of sound signals on the background of interference.

    PubMed

    Supin, A Ya

    2008-06-01

    Presentation of test signals consisting of sounds with rippled spectra allowed measurements of the frequency-resolving ability (FRA) of hearing to be performed in humans without using frequency-dependent masking techniques. This allowed studies of changes in FRA in the presence of noise interference. In conditions of diotic presentation (to both ears in parallel) of the test signal and noise, FRA decreased significantly if the interference frequency was lower or equal to the test signal frequency. The relationship between this effect and the sound intensity and noise:signal ratio varied for low-frequency noise and for noise at the same frequency as the test signal, which indicates that these two types of interference have different mechanisms. However, in both cases, noise of sufficient intensity led to a complete inability to discriminate the fine spectral structure of the test signal. In dichotic presentation (test signal to one ear, noise to the other), noise had virtually no effect on FRA over a wide range of test signal and noise frequencies and noise:signal ratios. Thus, there was essentially complete dichotic release of FRA from the effects noise, which has potential to be used in constructing prosthetic hearing devices. PMID:18607753

  7. Crustal Structure of the Iceland Region from Spectrally Correlated Free-air and Terrain Gravity Data

    NASA Technical Reports Server (NTRS)

    Leftwich, T. E.; vonFrese, R. R. B.; Potts, L. V.; Roman, D. R.; Taylor, P. T.

    2003-01-01

    Seismic refraction studies have provided critical, but spatially restricted constraints on the structure of the Icelandic crust. To obtain a more comprehensive regional view of this tectonically complicated area, we spectrally correlated free-air gravity anomalies against computed gravity effects of the terrain for a crustal thickness model that also conforms to regional seismic and thermal constraints. Our regional crustal thickness estimates suggest thickened crust extends up to 500 km on either side of the Greenland-Scotland Ridge with the Iceland-Faeroe Ridge crust being less extended and on average 3-5 km thinner than the crust of the Greenland-Iceland Ridge. Crustal thickness estimates for Iceland range from 25-35 km in conformity with seismic predictions of a cooler, thicker crust. However, the deepening of our gravity-inferred Moho relative to seismic estimates at the thermal plume and rift zones of Iceland suggests partial melting. The amount of partial melting may range from about 8% beneath the rift zones to perhaps 20% above the plume core where mantle temperatures may be 200-400 C above normal. Beneath Iceland, areally limited regions of partial melting may also be compositionally and mechanically layered and intruded. The mantle plume appears to be centered at (64.6 deg N, 17.4 deg W) near the Vatnajokull Glacier and the central Icelandic neovolcanic zones.

  8. Structural and Spectral Features of Selenium Nanospheres Produced by Se-Respiring Bacteria

    USGS Publications Warehouse

    Oremland, R.S.; Herbel, M.J.; Blum, J.S.; Langley, S.; Beveridge, T.J.; Ajayan, P.M.; Sutto, T.; Ellis, A.V.; Curran, S.

    2004-01-01

    Certain anaerobic bacteria respire toxic selenium oxyanions and in doing so produce extracellular accumulations of elemental selenium [Se(0)]. We examined three physiologically and phylogenetically diverse species of selenate- and selenite-respiring bacteria, Sulfurospirillum barnesii, Bacillus selenitireducens, and Selenihalanaerobacter shriftii, for the occurrence of this phenomenon. When grown with selenium oxyanions as the electron acceptor, all of these organisms formed extracellular granules consisting of stable, uniform nanospheres (diameter, ???300 nm) of Se(0) having monoclinic crystalline structures. Intracellular packets of Se(0) were also noted. The number of intracellular Se(0) packets could be reduced by first growing cells with nitrate as the electron acceptor and then adding selenite ions to washed suspensions of the nitrate-grown cells. This resulted in the formation of primarily extracellular Se nanospheres. After harvesting and cleansing of cellular debris, we observed large differences in the optical properties (UV-visible absorption and Raman spectra) of purified extracellular nanospheres produced in this manner by the three different bacterial species. The spectral properties in turn differed substantially from those of amorphous Se(0) formed by chemical oxidation of H2Se and of black, vitreous Se(0) formed chemically by reduction of selenite with ascorbate. The microbial synthesis of Se(0) nanospheres results in unique, complex, compacted nanostructural arrangements of Se atoms. These arrangements probably reflect a diversity of enzymes involved in the dissimilatory reduction that are subtly different in different microbes. Remarkably, these conditions cannot be achieved by current methods of chemical synthesis.

  9. Crustal Structure of the Iceland Region from Spectrally Correlated Free-air and Terrain Gravity Data

    NASA Technical Reports Server (NTRS)

    Leftwich, T. E.; vonFrese, R. R. R. B.; Potts, L. V.; Roman, D. R.; Taylor, Patrick T.

    2003-01-01

    Seismic refraction studies have provided critical, but spatially restricted constraints on the structure of the Icelandic crust. To obtain a more comprehensive regional view of this tectonically complicated area, we spectrally correlated free-air gravity anomalies against computed gravity effects of the terrain for a crustal thickness model that also conforms to regional seismic and thermal constraints. Our regional crustal thickness estimates suggest thickened crust extends up to 500 km on either side of the Greenland-Scotland Ridge with the Iceland-Faeroe Ridge crust being less extended and on average 3-5 km thinner than the crust of the Greenland-Iceland Ridge. Crustal thickness estimates for Iceland range from 25-35 km in conformity with seismic predictions of a cooler, thicker crust. However, the deepening of our gravity-inferred Moho relative to seismic estimates at the thermal plume and rift zones of Iceland suggests partial melting. The amount of partial melting may range from about 8% beneath the rift zones to perhaps 20% above the plume core where mantle temperatures may be 200-400 C above normal. Beneath Iceland, areally limited regions of partial melting may also be compositionally and mechanically layered

  10. a Comparative Study of the Timing and the Spectral Properties during Two Recent Outbursts (2010 and 2011) of H 1743-322

    NASA Astrophysics Data System (ADS)

    Debnath, Dipak; Chakrabarti, Sandip. K.; Nandi, Anuj

    2015-01-01

    The Galactic black hole candidate (BHC) H 1743-322 recently exhibited two outbursts in X-rays in August 2010 & April 2011. The nature (outburst profile, evolution of quasi-periodic oscillation (QPO) frequency and spectral states, etc.) of these two successive outbursts, which continued for around two months each, are very similar. We present the results obtained from a comparative study on the temporal and the spectral properties of the source during these two outbursts. The evolutions of QPOs observed in both the outbursts were well fitted with propagating oscillatory shock (POS) model. During both the outbursts, the observed spectral states (i.e, hard, hard-intermediate, soft-intermediate and soft) follow the `standard' type of hysteresis-loop, which could be explained with two component advective flow (TCAF) model.

  11. Whole-mantle radially anisotropic shear velocity structure from spectral-element waveform tomography

    NASA Astrophysics Data System (ADS)

    French, S. W.; Romanowicz, B. A.

    2014-12-01

    The radially anisotropic shear velocity structure of the Earth's mantle provides a critical window on the interior dynamics of the planet, with isotropic variations that are interpreted in terms of thermal and compositional heterogeneity and anisotropy in terms of flow. While significant progress has been made in the more than 30 yr since the advent of global seismic tomography, many open questions remain regarding the dual roles of temperature and composition in shaping mantle convection, as well as interactions between different dominant scales of convective phenomena. We believe that advanced seismic imaging techniques, such as waveform inversion using accurate numerical simulations of the seismic wavefield, represent a clear path forwards towards addressing these open questions through application to whole-mantle imaging. To this end, we employ a `hybrid' waveform-inversion approach, which combines the accuracy and generality of the spectral finite element method (SEM) for forward modelling of the global wavefield, with non-linear asymptotic coupling theory for efficient inverse modelling. The resulting whole-mantle model (SEMUCB-WM1) builds on the earlier successful application of these techniques for global modelling at upper mantle and transition-zone depths (≤800 km) which delivered the models SEMum and SEMum2. Indeed, SEMUCB-WM1 is the first whole-mantle model derived from fully numerical SEM-based forward modelling. Here, we detail the technical aspects of the development of our whole-mantle model, as well as provide a broad discussion of isotropic and radially anisotropic model structure. We also include an extensive discussion of model uncertainties, specifically focused on assessing our results at transition-zone and lower-mantle depths.

  12. Spectral and Structure Modeling of Low and High Mass Young Stars Using a Radiative Trasnfer Code

    NASA Astrophysics Data System (ADS)

    Robson Rocha, Will; Pilling, Sergio

    The spectroscopy data from space telescopes (ISO, Spitzer, Herchel) shows that in addition to dust grains (e.g. silicates), there is also the presence of the frozen molecular species (astrophysical ices, such as H _{2}O, CO, CO _{2}, CH _{3}OH) in the circumstellar environments. In this work we present a study of the modeling of low and high mass young stellar objects (YSOs), where we highlight the importance in the use of the astrophysical ices processed by the radiation (UV, cosmic rays) comes from stars in formation process. This is important to characterize the physicochemical evolution of the ices distributed by the protostellar disk and its envelope in some situations. To perform this analysis, we gathered (i) observational data from Infrared Space Observatory (ISO) related with low mass protostar Elias29 and high mass protostar W33A, (ii) absorbance experimental data in the infrared spectral range used to determinate the optical constants of the materials observed around this objects and (iii) a powerful radiative transfer code to simulate the astrophysical environment (RADMC-3D, Dullemond et al, 2012). Briefly, the radiative transfer calculation of the YSOs was done employing the RADMC-3D code. The model outputs were the spectral energy distribution and theoretical images in different wavelengths of the studied objects. The functionality of this code is based on the Monte Carlo methodology in addition to Mie theory for interaction among radiation and matter. The observational data from different space telescopes was used as reference for comparison with the modeled data. The optical constants in the infrared, used as input in the models, were calculated directly from absorbance data obtained in the laboratory of both unprocessed and processed simulated interstellar samples by using NKABS code (Rocha & Pilling 2014). We show from this study that some absorption bands in the infrared, observed in the spectrum of Elias29 and W33A can arises after the ices

  13. Imaging the crustal structure of the valley of Mexico and higher mode identification using H/V spectral ratio

    NASA Astrophysics Data System (ADS)

    Rivet, D.; Campillo, M.; Sanchez-Sesma, F.; Singh, S. K.

    2012-04-01

    We reconstruct Rayleigh and Love waves from cross-correlations of ambient seismic noise recorded at 19 broad-band stations of the MesoAmerica Seismic Experiment (MASE) and Valley of Mexico Experiment (VMEX). The cross-correlations are computed over 2 years of noise records for the 8 MASE stations and over 1 year for the 11 VMEX stations. We use surface waves with sufficient signal-to-noise ratio to measure group velocity dispersion curves at period of 0.5 to 3 seconds. For paths within the soft quaternary sediments basin, the maximum energy is observed at velocity higher than expected for the fundamental mode. This observation suggests the importance of higher modes as the main vectors of energy in such complex structures. To perform a reliable inversion of the velocity structure beneath the valley, an identification of these dominants modes is required. To identify the modes of surface waves we use the spectral ratio of the horizontal components over the vertical component (H/V) measured on seismic coda. We compare the observed values with the theoretical H/V for the velocity model deduced from surface wave dispersion when assuming a particular mode. H/V ratio in the coda is computed under the hypothesis of equipartition of a diffuse field in a layered medium following Margerin et al. [2009] and Sánchez-Sesma et al. [2011]. We processed several events to ensure that the observed H/V is stable. The comparison of the modelled dispersion and H/V ratio allows for mode identification, and consequently to recover the velocity model of the structure. We conclude on the predominance of higher modes in our observations. The excitation of higher modes is key element of explanation for the long duration and amplification of the seismic signals observed in the Valley of Mexico.

  14. Comparative study of medium damped and detuned linear accelerator structures

    SciTech Connect

    Jean-Francois Ostiguy et al.

    2001-08-22

    Long range wakefields are a serious concern for a future linear collider based on room temperature accelerating structures. They can be suppressed either by detuning and or local damping or with some combination of both strategies. Detuning relies on precisely phasing the contributions of the dipole modes excited by the passage of a single bunch. This is accomplished by controlling individual mode frequencies, a process which dictates individual cell dimensional tolerances. Each mode must be excited with the correct strength; this in turn, determines cell-to-cell alignment tolerances. In contrast, in a locally damped structure, the modes are attenuated at the cell level. Clearly, mode frequencies and relative excitation become less critical in that context; mechanical fabrication tolerances can be relaxed. While local damping is ideal from the stand-point of long range wakefield suppression, this comes at the cost of reducing the shunt impedance and possibly unacceptable localized heating. Recently, the Medium Damped Structure (MDS), a compromise between detuning and local damping, has generated some interest. In this paper, we compare a hypothetical MDS to the NLC Rounded Damped Detuned Structure (RDDS) and investigate possible advantages from the standpoint fabrication tolerances and their relation to beam stability and emittance preservation.

  15. A comparative structural study of wet and dried ettringite

    SciTech Connect

    Renaudin, G.; Filinchuk, Y.; Neubauer, J.; Goetz-Neunhoeffer, F.

    2010-03-15

    Two different techniques were used to compare structural characteristics of 'wet' ettringite (stored in the synthesis mother liquid) and 'dried' ettringite (dried to 35% relative humidity over saturated CaCl{sub 2} solution). Lattice parameters and the water content in the channel region of the structure (site occupancy factor of the water molecule not bonded to cations) as well as microstructure parameters (size and strain) were determined from a Rietveld refinement on synchrotron powder diffraction data. Local environment of sulphate anions and of the hydrogen bonding network was characterized by Raman spectroscopy. Both techniques led to the same conclusion: the 'wet' ettringite sample immersed in the mother solution from the synthesis presents similar structural features as ettringite dried to 35% relative humidity. An increase of the a lattice parameter combined with a decrease of the c lattice parameter occurs on drying. The amount of structural water, the point symmetry of sulphate and the hydrogen bond network are unchanged when passing from the wet to the dried ettringite powder. Ettringite does not form a high-hydrate polymorph in equilibrium with alkaline solution, in contrast to the AFm phases that lose water molecules on drying. According to these results we conclude that ettringite precipitated in aqueous solution at the early hydration stages is of the same chemical composition as ettringite present in the hardening concrete.

  16. Comparing molecules and solids across structural and alchemical space.

    PubMed

    De, Sandip; Bartók, Albert P; Csányi, Gábor; Ceriotti, Michele

    2016-05-18

    Evaluating the (dis)similarity of crystalline, disordered and molecular compounds is a critical step in the development of algorithms to navigate automatically the configuration space of complex materials. For instance, a structural similarity metric is crucial for classifying structures, searching chemical space for better compounds and materials, and driving the next generation of machine-learning techniques for predicting the stability and properties of molecules and materials. In the last few years several strategies have been designed to compare atomic coordination environments. In particular, the smooth overlap of atomic positions (SOAPs) has emerged as an elegant framework to obtain translation, rotation and permutation-invariant descriptors of groups of atoms, underlying the development of various classes of machine-learned inter-atomic potentials. Here we discuss how one can combine such local descriptors using a regularized entropy match (REMatch) approach to describe the similarity of both whole molecular and bulk periodic structures, introducing powerful metrics that enable the navigation of alchemical and structural complexities within a unified framework. Furthermore, using this kernel and a ridge regression method we can predict atomization energies for a database of small organic molecules with a mean absolute error below 1 kcal mol(-1), reaching an important milestone in the application of machine-learning techniques for the evaluation of molecular properties. PMID:27101873

  17. Direct Microlensing-Reverberation Observations of the Intrinsic Magnetic Structure of Active Galactic Nuclei in Different Spectral States: A Tale of Two Quasars

    NASA Astrophysics Data System (ADS)

    Schild, Rudolph E.; Leiter, Darryl J.; Robertson, Stanley L.

    2008-03-01

    We show how direct microlensing-reverberation analysis performed on two well-known quasars (Q2237, the Einstein Cross, and Q0957, the Twin) can be used to observe the inner structure of two quasars which are in significantly different spectral states. These observations allow us to measure the detailed internal structure of Q2237 in a radio-quiet high-soft state, and compare it to Q0957 in a radio-loud low-hard state. When taken together we find that the observed differences in the spectral states of these two quasars can be understood as being due to the location of the inner radii of their accretion disks relative to the co-rotation radii of the magnetospheric eternally collapsing objects (MECO) in the centers of these quasars. The radiating structures observed in these quasars are associated with standard accretion disks and outer outflow structures, where the latter are the major source of UV-optical continuum radiation. While the observed inner accretion disk structure of the radio-quiet quasar Q2237 is consistent with either a MECO or a black hole, the observed inner structure of the radio-loud quasar Q0957 can only be explained by the action of the intrinsic magnetic propeller of a MECO with its accretion disk. Hence a simple and unified answer to the long-standing question: "Why are some quasars radio loud?" is found if the central objects of quasars are MECO, with radio-loud and radio-quiet spectral states similar to the case of galactic black hole candidates.

  18. Comparative population structure of cavity-nesting sea ducks

    USGS Publications Warehouse

    Pearce, John M.; Eadie, John M.; Savard, Jean-Pierre L.; Christensen, Thomas K.; Berdeen, James; Taylor, Eric J.; Boyd, Sean; Einarsson, Árni

    2014-01-01

    A growing collection of mtDNA genetic information from waterfowl species across North America suggests that larger-bodied cavity-nesting species exhibit greater levels of population differentiation than smaller-bodied congeners. Although little is known about nest-cavity availability for these species, one hypothesis to explain differences in population structure is reduced dispersal tendency of larger-bodied cavity-nesting species due to limited abundance of large cavities. To investigate this hypothesis, we examined population structure of three cavity-nesting waterfowl species distributed across much of North America: Barrow's Goldeneye (Bucephala islandica), Common Goldeneye (B. clangula), and Bufflehead (B. albeola). We compared patterns of population structure using both variation in mtDNA control-region sequences and band-recovery data for the same species and geographic regions. Results were highly congruent between data types, showing structured population patterns for Barrow's and Common Goldeneye but not for Bufflehead. Consistent with our prediction, the smallest cavity-nesting species, the Bufflehead, exhibited the lowest level of population differentiation due to increased dispersal and gene flow. Results provide evidence for discrete Old and New World populations of Common Goldeneye and for differentiation of regional groups of both goldeneye species in Alaska, the Pacific Northwest, and the eastern coast of North America. Results presented here will aid management objectives that require an understanding of population delineation and migratory connectivity between breeding and wintering areas. Comparative studies such as this one highlight factors that may drive patterns of genetic diversity and population trends.

  19. Structure, thermal and spectral study of 16α,17-epoxypregn-4-ene-3,11,20-trione monohydate

    NASA Astrophysics Data System (ADS)

    Nie, Qiang; Wang, JingKang

    2005-10-01

    16α,17-epoxypregn-4-ene-3,11,20-trione is an important steroid intermediate in synthesis of many hormone pharmaceuticals, such as cortisone acetate and betamethason. It does not dissolve in water, but the single crystals grown from acetone with some water shows evident hydration behavior. The thermal analyses by DSC and TG-DTA and the IR spectra characterization of the anhydrous and hydrous crystals were performed and compared. The hydrate was also proved by IR spectral and thermal analyses. Single crystal structure of the hydrate indicates one water molecule per host molecule is included into the host lattice. The incorporation of water molecules does not change the crystal cell dimensions significantly, except for some increment of the cell along the axis b. In the crystal cell, two steroid molecules are linked through the water molecules as a bridge by forming two different hydrogen bonds. The incorporation of one water molecule makes some conformation changes of the molecules in the crystal unit cell.

  20. Control of spectral interference patterns in broad Rabi sidebands toward quasi-comb structures.

    PubMed

    Romanov, D A; Filin, A I; Levis, R J

    2015-03-01

    The pattern of spectral interference fringes in broad dynamic Rabi sidebands allows for a considerable degree of control by shaping the picosecond driving pulse. We demonstrate experimental evidence of such control and report an analytic and numerical investigation of possibilities to control the fringe pattern to produce a comb-like optical structure. The temporal phase and amplitude shaping of a picosecond driving pulse influence the spectrum envelope, fringe contrast, and fringe spacing variation in the sideband spectra. The sideband spectrum envelope depends on the sharpness of the driving pulse, that is, on the rate at which the temporal distance between the leading and trailing edges grows away from the pulse maximum. Increasing this parameter reduces the variation of the envelope amplitude across the sideband. The fringe contrast, defined by the maximum-to-minimum difference, depends strongly on the asymmetry of the driving pulse. The imbalance between the leading and trailing edges leads to a decrease of the contrast. The variation of interpeak distance within a sideband was controlled using the temporal shape of the driving pulse. In the particular case of a blue-shifted sideband emitted by excited oxygen atoms driven by a picosecond pulse of 800 nm carrier wavelength and ∼5×10¹⁰ W cm⁻² intensity, a Gaussian pulse shape results in an interpeak distance increasing almost five times over the interval from 1.60 to 1.66 eV, whereas a super-Gaussian shape leads to almost equidistant fringes producing a comb-like spectrum. PMID:25723415

  1. Spectral stratigraphy

    NASA Astrophysics Data System (ADS)

    Lang, Harold R.

    1991-09-01

    Stratigraphic and structural studies of the Wind River and Bighorn basins, Wyoming, and the Guerrero-Morelos basin, Mexico, have resulted in development of ''spectral stratigraphy.'' This approach to stratigraphic analysis uses photogeologic and spectral interpretation of multispectral remote sensing data combined with topographic information to determine the attitude, thickness, and lithology of strata exposed at the surface. This paper reviews selected published examples that illustrate this new stratigraphic procedure. Visible to thermal infrared laboratory, spectral measurements of sedimentary rocks are the physical basis for spectral stratigraphy. Results show that laboratory, field, and remote spectroscopy can augment conventional laboratory and field methods for petrologic analysis, stratigraphic correlation, interpretation of depositional environments, and construction of facies models. Landsat thematic mapper data are used to map strata and construct stratigraphic columns and structural cross sections at 1:24,000 scale or less. Experimental multispectral thermal infrared aircraft data facilitate lithofacies/biofacies analyses. Visible short-wavelength infrared imaging spectrometer data allow remote determination of the stratigraphic distribution of iron oxides, quartz, calcite, dolomite, gypsum, specific clay species, and other minerals diagnostic of environments of deposition. Development of a desk-top, computer-based, geologic analysis system that provides for automated application of these approaches to coregistered digital image and topographic data portends major expansion in the use of spectral stratigraphy for purely scientific (lithospheric research) or practical (resource exploration) objectives.

  2. Synthesis, structure, and spectral and electrochemical properties of chromium(III) tris-(8-hydroxyquinolinate).

    PubMed

    Freitas, Ana R; Silva, Mónica; Ramos, M Luísa; Justino, Licínia L G; Fonseca, Sofia M; Barsan, Madalina M; Brett, Christopher M A; Silva, M Ramos; Burrows, Hugh D

    2015-07-01

    The kinetically inert chromium(III) tris-(8-hydroxyquinolinate), Crq3, has been synthesized, crystallized from 90% methanol-water, and characterized by MALDI-TOF mass spectrometry, thermogravimetry, FTIR, NMR spectroscopy, and X-ray powder diffraction. It is formed as a methanol solvate, but the solvent can be removed by heating. Large paramagnetic shifts and spectral broadening in (1)H NMR spectra indicate electron delocalization between the metal and the ligand. DFT calculations show it is present as the meridional isomer, with the HOMO largely based on one of the metal 3d orbitals and the LUMO essentially localized on the ligands. Cyclic voltammetry (CV) in acetonitrile solutions shows four oxidation peaks and two, less intense reduction waves on the first scan. The HOMO energy determined from the first oxidation peak is fairly close to that obtained by DFT, in agreement with this being mainly metal based. Although the number of peaks decreases on subsequent CV scans, the complex shows markedly enhanced electrochemical stability compared with aluminium(III) tris-(8-hydroxyquinolinate). Solution UV/visible absorption and solid diffuse reflectance spectra have a weak, long wavelength band, assigned to the metal based d-d transition, in addition to the normal, ligand based bands seen in metal quinolates. The energy of the lowest energy band is identical to the HOMO-LUMO separation obtained by cyclic voltammetry, in agreement with the above description. The compound is only weakly luminescent, in contrast to many other metal quinolates, due to the lowest energy transition being metal rather than ligand based. The potential of this compound as an electron transporting/hole blocking layer in optoelectronic devices is indicated. PMID:26030802

  3. Refining Upper Mantle Structure in the North American continent using Spectral Element method

    NASA Astrophysics Data System (ADS)

    Romanowicz, B. A.; Yuan, H.; Cupillard, P.

    2011-12-01

    Our recently published azimuthally anisotropic tomographic model of North America has revealed a rapid change of fast axis direction at mid-lithospheric depths in the North American craton (Yuan and Romanowicz, 2010). Shear wave receiver functions also report a sharp negative velocity gradient in this depth range at many of the cratonic stations (Abt et al., 2010; Fischer et al., 2010), marking a mid-lithospheric-discontinuity (MLD; Fischer et al., 2010). The MLD is also found in other continents (e.g., Ford et al., 2010) and may reflect a global feature associated with the shear wave velocity drop around 100 km found from long range profiles (Thybo, 2006; Romanowicz, 2009). Further exploring the nature of this mid-lithospheric boundary, and better constraining the absolute values of shear velocities of the lithospheric layers becomes a timely endeavor as the Transportable Array (TA) sweeps across the continental US. We conduct a refined 3D tomographic inversion of the cratonic North American upper mantle. The new inversion utilizes shorter period waveforms (down to 40 s) from over 100 local and regional events, and a regional Spectral Element code, RegSEM (Cupillard et al., 2011) to compute the forward synthetics. RegSEM includes ellipticity, attenuation, arbitrary anisotropy, non-conformal mapping of discontinuities, and can accurately represent scattering and focusing/defocusing effects caused by the 3D Earth structure. We apply a hybrid iterative inversion approach that uses accurate RegSEM synthetics and computationally efficient 2D finite frequency kernels based on NACT normal mode perturbation theory (Li and Romanowicz, 1995). We also test the use of much more time-consuming numerical Frechet kernels computed using RegSEM and the adjoint formalism. Our initial results confirm a lithospheric thickness in the craton of ~200-250 km. Along the eastern margin of the craton, a noticeable band of low velocity structure closely follows the Grenville

  4. Hyperspectral bands prediction based on inter-band spectral correlation structure

    NASA Astrophysics Data System (ADS)

    Ahmed, Ayman M.; Sharkawy, Mohamed El.; Elramly, Salwa H.

    2013-02-01

    Hyperspectral imaging has been widely studied in many applications; notably in climate changes, vegetation, and desert studies. However, such kind of imaging brings a huge amount of data, which requires transmission, processing, and storage resources for both airborne and spaceborne imaging. Compression of hyperspectral data cubes is an effective solution for these problems. Lossless compression of the hyperspectral data usually results in low compression ratio, which may not meet the available resources; on the other hand, lossy compression may give the desired ratio, but with a significant degradation effect on object identification performance of the hyperspectral data. Moreover, most hyperspectral data compression techniques exploits the similarities in spectral dimensions; which requires bands reordering or regrouping, to make use of the spectral redundancy. In this paper, we analyze the spectral cross correlation between bands for AVIRIS and Hyperion hyperspectral data; spectral cross correlation matrix is calculated, assessing the strength of the spectral matrix, we propose new technique to find highly correlated groups of bands in the hyperspectral data cube based on "inter band correlation square", and finally, we propose a new technique of band regrouping based on correlation values weights for different group of bands as network of correlation.

  5. Discovery of Spatial and Spectral Structure in the X-Ray Emission from the Crab Nebula

    NASA Technical Reports Server (NTRS)

    Weisskopf, Martin C.; Hester, J. Jeff; Tennant, Allyn F.; Elsner, Ronald F.; Schulz, Norbert S.; Marshall, Herman L.; Karovska, Margarita; Nichols, Joy S.; Swartz, Douglas A.; Kolodziejczak, Jeffery J.

    2000-01-01

    The Chandra X-Ray Observatory observed the Crab Nebula and pulsar during orbital calibration. Zeroth-order images with the High-Energy Transmission Grating (HETG) readout by the Advanced Charge Coupled Devices (CCD) Imaging Spectrometer spectroscopy array (ACIS-S) show a striking richness of X-ray structure at a resolution comparable to that of the best ground-based visible-light observations. The HETG-ACIS-S images reveal, for the first time, an X-ray inner ring within the X-ray torus, the suggestion of a hollow-tube structure for the torus, and X-ray knots along the inner ring and (perhaps) along the inward extension of the X-ray jet. Although complicated by instrumental effects and the brightness of the Crab Nebula, the spectrometric analysis shows systematic variations of the X-ray spectrum throughout the nebula.

  6. Fine structure of spectral properties for random correlation matrices: An application to financial markets

    NASA Astrophysics Data System (ADS)

    Livan, Giacomo; Alfarano, Simone; Scalas, Enrico

    2011-07-01

    We study some properties of eigenvalue spectra of financial correlation matrices. In particular, we investigate the nature of the large eigenvalue bulks which are observed empirically, and which have often been regarded as a consequence of the supposedly large amount of noise contained in financial data. We challenge this common knowledge by acting on the empirical correlation matrices of two data sets with a filtering procedure which highlights some of the cluster structure they contain, and we analyze the consequences of such filtering on eigenvalue spectra. We show that empirically observed eigenvalue bulks emerge as superpositions of smaller structures, which in turn emerge as a consequence of cross correlations between stocks. We interpret and corroborate these findings in terms of factor models, and we compare empirical spectra to those predicted by random matrix theory for such models.

  7. Least-Squares Regression and Spectral Residual Augmented Classical Least-Squares Chemometric Models for Stability-Indicating Analysis of Agomelatine and Its Degradation Products: A Comparative Study.

    PubMed

    Naguib, Ibrahim A; Abdelrahman, Maha M; El Ghobashy, Mohamed R; Ali, Nesma A

    2016-01-01

    Two accurate, sensitive, and selective stability-indicating methods are developed and validated for simultaneous quantitative determination of agomelatine (AGM) and its forced degradation products (Deg I and Deg II), whether in pure forms or in pharmaceutical formulations. Partial least-squares regression (PLSR) and spectral residual augmented classical least-squares (SRACLS) are two chemometric models that are being subjected to a comparative study through handling UV spectral data in range (215-350 nm). For proper analysis, a three-factor, four-level experimental design was established, resulting in a training set consisting of 16 mixtures containing different ratios of interfering species. An independent test set consisting of eight mixtures was used to validate the prediction ability of the suggested models. The results presented indicate the ability of mentioned multivariate calibration models to analyze AGM, Deg I, and Deg II with high selectivity and accuracy. The analysis results of the pharmaceutical formulations were statistically compared to the reference HPLC method, with no significant differences observed regarding accuracy and precision. The SRACLS model gives comparable results to the PLSR model; however, it keeps the qualitative spectral information of the classical least-squares algorithm for analyzed components. PMID:26987554

  8. Rocket experiments for spectral estimation of electron density fine structure in the auroral and equatorial ionosphere and preliminary results

    NASA Technical Reports Server (NTRS)

    Tomei, B. A.; Smith, L. G.

    1986-01-01

    Sounding rockets equipped to monitor electron density and its fine structure were launched into the auroral and equatorial ionosphere in 1980 and 1983, respectively. The measurement electronics are based on the Langmuir probe and are described in detail. An approach to the spectral analysis of the density irregularities is addressed and a software algorithm implementing the approach is given. Preliminary results of the analysis are presented.

  9. Spectral investigation of chiral photonic structure with laser dye-doped isotropic polymer film

    NASA Astrophysics Data System (ADS)

    Alaverdyan, R. B.; Dadalyan, T. K.; Karapetyan, A. S.; Hovhannisyan, T. M.; Hovhannisyan, S. I.; Chilingaryan, Y. Su.

    2012-10-01

    We investigate spectral peculiarities of multilayer system, consisting of two identical CLC layers and a Rhodamine 6G doped polymethyl metacrylate thin film sandwiched between them. We measure transmission and reflection spectra of the system. A small mismatch between Selective reflection band and corresponding dip in transmission spectrum is observed. Also we investigate luminescence spectrum of this system at pulsed and CW mode pumping at various temperatures. The results show that maximal intensity of luminescence spectrum at constant pumping power is observed at 18°C and the weakest luminescence is observed at 20°C, the luminescence spectra at higher and lower temperatures are "confined" between these two spectral curves.

  10. Comparative sequence-structure analysis of Aves insulin

    PubMed Central

    Islam, Md Mirazul; Aktaruzzaman, M; Mohamed, Zahurin

    2015-01-01

    Normal blood glucose level depends on the availability of insulin and its ability to bind insulin receptor (IR) that regulates the downstream signaling pathway. Insulin sequence and blood glucose level usually vary among animals due to species specificity. The study of genetic variation of insulin, blood glucose level and diabetics symptoms development in Aves is interesting because of its optimal high blood glucose level than mammals. Therefore, it is of interest to study its evolutionary relationship with other mammals using sequence data. Hence, we compiled 32 Aves insulin from GenBank to compare its sequence-structure features with phylogeny for evolutionary inference. The analysis shows long conserved motifs (about 14 residues) for functional inference. These sequences show high leucine content (20%) with high instability index (>40). Amino acid position 11, 14, 16 and 20 are variable that may have contribution to binding to IR. We identified functionally critical variable residues in the dataset for possible genetic implication. Structural models of these sequences were developed for surface analysis towards functional representation. These data find application in the understanding of insulin function across species. PMID:25848166

  11. Accurate modeling of spectral fine-structure in Earth radiance spectra measured with the Global Ozone Monitoring Experiment.

    PubMed

    van Deelen, Rutger; Hasekamp, Otto P; Landgraf, Jochen

    2007-01-10

    We present what we believe to be a novel approach to simulating the spectral fine structure (<1 nm) in measurements of spectrometers such as the Global Ozone Monitoring Experiment (GOME). GOME measures the Earth's radiance spectra and daily solar irradiance spectra from which a reflectivity spectrum is commonly extracted. The high-frequency structures contained in such a spectrum are, apart from atmospheric absorption, caused by Raman scattering and by a shift between the solar irradiance and the Earth's radiance spectrum. Normally, an a priori high-resolution solar spectrum is used to simulate these structures. We present an alternative method in which all the required information on the solar spectrum is retrieved from the GOME measurements. We investigate two approaches for the spectral range of 390-400 nm. First, a solar spectrum is reconstructed on a fine spectral grid from the GOME solar measurement. This approach leads to undersampling errors of up to 0.5% in the modeling of the Earth's radiance spectra. Second, a combination of the solar measurement and one of the Earth's radiance measurement is used to retrieve a solar spectrum. This approach effectively removes the undersampling error and results in residuals close to the GOME measurement noise of 0.1%. PMID:17268571

  12. Non-structural carbohydrates in woody plants compared among laboratories.

    PubMed

    Quentin, Audrey G; Pinkard, Elizabeth A; Ryan, Michael G; Tissue, David T; Baggett, L Scott; Adams, Henry D; Maillard, Pascale; Marchand, Jacqueline; Landhäusser, Simon M; Lacointe, André; Gibon, Yves; Anderegg, William R L; Asao, Shinichi; Atkin, Owen K; Bonhomme, Marc; Claye, Caroline; Chow, Pak S; Clément-Vidal, Anne; Davies, Noel W; Dickman, L Turin; Dumbur, Rita; Ellsworth, David S; Falk, Kristen; Galiano, Lucía; Grünzweig, José M; Hartmann, Henrik; Hoch, Günter; Hood, Sharon; Jones, Joanna E; Koike, Takayoshi; Kuhlmann, Iris; Lloret, Francisco; Maestro, Melchor; Mansfield, Shawn D; Martínez-Vilalta, Jordi; Maucourt, Mickael; McDowell, Nathan G; Moing, Annick; Muller, Bertrand; Nebauer, Sergio G; Niinemets, Ülo; Palacio, Sara; Piper, Frida; Raveh, Eran; Richter, Andreas; Rolland, Gaëlle; Rosas, Teresa; Saint Joanis, Brigitte; Sala, Anna; Smith, Renee A; Sterck, Frank; Stinziano, Joseph R; Tobias, Mari; Unda, Faride; Watanabe, Makoto; Way, Danielle A; Weerasinghe, Lasantha K; Wild, Birgit; Wiley, Erin; Woodruff, David R

    2015-11-01

    Non-structural carbohydrates (NSC) in plant tissue are frequently quantified to make inferences about plant responses to environmental conditions. Laboratories publishing estimates of NSC of woody plants use many different methods to evaluate NSC. We asked whether NSC estimates in the recent literature could be quantitatively compared among studies. We also asked whether any differences among laboratories were related to the extraction and quantification methods used to determine starch and sugar concentrations. These questions were addressed by sending sub-samples collected from five woody plant tissues, which varied in NSC content and chemical composition, to 29 laboratories. Each laboratory analyzed the samples with their laboratory-specific protocols, based on recent publications, to determine concentrations of soluble sugars, starch and their sum, total NSC. Laboratory estimates differed substantially for all samples. For example, estimates for Eucalyptus globulus leaves (EGL) varied from 23 to 116 (mean = 56) mg g(-1) for soluble sugars, 6-533 (mean = 94) mg g(-1) for starch and 53-649 (mean = 153) mg g(-1) for total NSC. Mixed model analysis of variance showed that much of the variability among laboratories was unrelated to the categories we used for extraction and quantification methods (method category R(2) = 0.05-0.12 for soluble sugars, 0.10-0.33 for starch and 0.01-0.09 for total NSC). For EGL, the difference between the highest and lowest least squares means for categories in the mixed model analysis was 33 mg g(-1) for total NSC, compared with the range of laboratory estimates of 596 mg g(-1). Laboratories were reasonably consistent in their ranks of estimates among tissues for starch (r = 0.41-0.91), but less so for total NSC (r = 0.45-0.84) and soluble sugars (r = 0.11-0.83). Our results show that NSC estimates for woody plant tissues cannot be compared among laboratories. The relative changes in NSC between treatments measured within a laboratory

  13. Inferring planar disorder in close-packed structures via epsilon-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide.

    PubMed

    Varn, D P; Canright, G S; Crutchfield, J P

    2007-04-01

    We apply epsilon-machine spectral reconstruction theory to analyze structure and disorder in four previously published zinc sulfide diffraction spectra and contrast the results with the most common alternative theory, the fault model. In each case we find that the reconstructed epsilon-machine provides a more comprehensive and detailed understanding of the stacking structure, often detecting stacking structures not previously found. Using the epsilon-machines reconstructed for each spectrum, we calculate a number of physical parameters - such as configurational energies, configurational entropies and hexagonality - and several quantities - including statistical complexity and excess entropy - that describe the intrinsic computational properties of the stacking structures. PMID:17374926

  14. Endoscopic autofluorescence micro-spectroimaging of alveoli: comparative spectral analysis of amiodarone-induced pneumonitis patients and healthy smokers

    NASA Astrophysics Data System (ADS)

    Bourg-Heckly, G.; Vever-Bizet, C.; Blondel, W.; Salaün, M.; Thiberville, L.

    2011-03-01

    Fibered confocal fluorescence microscopy (FCFM) with spectroscopic analysis capability was used during bronchoscopy, at 488nm excitation, to record autofluorescence images and associated emission spectra of the alveoli of 5 healthy smoking volunteers and 7 non-smoking amiodarone-induced pneumonitis (AIP) patients. Alveolar fluorescent cellular infiltration was observed in both groups. Our objective was to assess the potential of spectroscopy in differentiating these two groups. Methods: We previously demonstrated that in healthy smokers alveolar elastin backbone and tobacco tar contained in macrophages contribute to the observed signal. Each normalized spectrum was modeled as a linear combination of 3 components: Sexp(λ) = Ce.Se(λ)+Ct.St(λ)+CG.SG(λ), Ce, Ct and CG are amplitude coefficients. Se(λ) and St(λ) are respectively the normalized elastin and tobacco tar emission spectra measured experimentally and SG(λ) a gaussian spectrum with tunable width and central wavelength. Levenbergt-Marquardt algorithm determined the optimal set of coefficients. Results: AIP patient autofluorescence spectra can be uniquely modelized by the linear combination of the elastin spectrum (Ce = 0.61) and of a gaussian spectrum (center wavelength 550nm, width 40nm); the tobacco tar spectrum coefficient Ct is found to be zero. For healthy smoking volunteers, only two spectral components were considered: the tobacco tar component (Ct = 1,03) and the elastin component (Ce = 0). Conclusion: Spectral analysis is able to distinguish cellular infiltrated images from AIP patients and healthy smoking volunteers. It appears as a powerful complementary tool for FCFM.

  15. Vibrational and structural observations upon 3-((1H-benzo[d]imidazol-1-yl)methyl)naphthalen-2-ol from spectral and DFT computing approaches

    NASA Astrophysics Data System (ADS)

    Jone Pradeepa, S.; Tamilvendan, D.; Susai Boobalan, Maria; Sundaraganesan, N.

    2016-05-01

    An aggregate of experimental and computational study on synthesis, molecular structure, vibrational, electronic, nuclear magnetic resonance spectra, electronic structure, NLO activity and thermochemical characterization has been investigated for 3-((1H-benzo[d]imidazol-1-yl)methyl) naphthalen-2-ol (BDMN). The perspective on structural analysis includes the examination of equilibrium geometry, Natural Bond Orbital analysis (NBO), molecular electrostatic potential (MEP) analysis and frontier molecular orbital calculation. Similarly the following spectral analysis such as vibrational (FT-IR and FT-Raman), electronic (UV-Vis) and NMR (1H and 13C) has been interpreted. The FT-IR, FT-Raman spectrum were recorded in the frequency range of 4000-400 cm-1 and 4000-50 cm-1 respectively. A complete potential energy distribution (PED) was achieved to interpret the normal modes by comparing the experimental and theoretical spectral data. The simulation of NMR spectrum was performed using GIAO strategy. The NLO activity of BDMN has been calibrated using hyperpolarizability. In addition, various thermodynamic entities were predicted against different temperatures. The entire computation was executed using appropriate model chemistries such as B3LYP/Sadlej pVTZ, B3LYP/6-311G(d,p) and PBEPBE (TDDFT)/6-311G(d,p) for the respective properties. The overall hand-in-hand analysis by using both theoretical and experimental calculation on BDMN provides interesting observations and inferences.

  16. Structure, function and evolution of the gas exchangers: comparative perspectives

    PubMed Central

    Maina, JN

    2002-01-01

    Over the evolutionary continuum, animals have faced similar fundamental challenges of acquiring molecular oxygen for aerobic metabolism. Under limitations and constraints imposed by factors such as phylogeny, behaviour, body size and environment, they have responded differently in founding optimal respiratory structures. A quintessence of the aphorism that ‘necessity is the mother of invention’, gas exchangers have been inaugurated through stiff cost–benefit analyses that have evoked transaction of trade-offs and compromises. Cogent structural–functional correlations occur in constructions of gas exchangers: within and between taxa, morphological complexity and respiratory efficiency increase with metabolic capacities and oxygen needs. Highly active, small endotherms have relatively better-refined gas exchangers compared with large, inactive ectotherms. Respiratory structures have developed from the plain cell membrane of the primeval prokaryotic unicells to complex multifunctional ones ofthe modern Metazoa. Regarding the respiratory medium used to extract oxygen from, animal life has had only two choices – water or air – within the biological range of temperature and pressure the only naturally occurring respirable fluids. In rarer cases, certain animalshave adapted to using both media. Gills (evaginated gas exchangers) are the primordial respiratory organs: they are the archetypal water breathing organs. Lungs (invaginated gas exchangers) are the model air breathing organs. Bimodal (transitional) breathers occupy the water–air interface. Presentation and exposure of external (water/air) and internal (haemolymph/blood) respiratory media, features determined by geometric arrangement of the conduits, are important features for gas exchange efficiency: counter-current, cross-current, uniform pool and infinite pool designs have variably developed. PMID:12430953

  17. Redox-dependent 1H NMR spectral features and tertiary structural constraints on the C-terminal region of putidaredoxin.

    PubMed

    Pochapsky, T C; Ratnaswamy, G; Patera, A

    1994-05-31

    Putidaredoxin (Pdx) is a 106-residue Fe2S2 ferredoxin which acts as the physiological reductant and effector of cytochrome P-450cam. Pdx has two accessible oxidation states, Fe+3-Fe+3 (oxidized) and Fe+3-Fe+2 (reduced), and exhibits redox-dependent binding affinities for cytochrome P-450cam, with reduced Pdx binding over 100-fold more tightly than oxidized Pdx to the oxidized cytochrome P-450cam [Hintz, M. J., Mock, D. M., Peterson, L. L., Tuttle, K., & Peterson, J. A. (1982) J. Biol. Chem. 257, 14324-14332]. The analysis of two-dimensional 1H NMR experiments has yielded sequential 1H resonance assignments for the diamagnetic regions of the reduced form of Pdx, which are compared to those of oxidized Pdx, described previously [Ye, X. M., Pochapsky, T. C., & Pochapsky, S. S. (1992) Biochemistry 31, 1961-1968]. Increased unpaired electron-spin density on the metal cluster in reduced relative to oxidized Pdx increases the number of 1H resonances which are broadened by the metal cluster, and the pattern of paramagnetic broadening provides information concerning the placement of the metal cluster within the protein. Two-dimensional exchange experiments on half-reduced samples of Pdx indicate that electron self-exchange is slow on the chemical shift time scale, with a second-order rate constant < or = 66 M-1 s-1 at 290 K. Spectral changes unrelated to increases in unpaired electron-spin density are also observed. The largest changes of this type are observed for features structurally contiguous with the C-terminal region Pro 102-Trp 106. The C-terminal residue Trp 106 has been implicated in binding to cytochrome P-450cam.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:8204576

  18. Discovery of Spatial and Spectral Structure in the X-Ray Emission from the Crab Nebula

    NASA Technical Reports Server (NTRS)

    Weisskopf, M.; Hester, J. J.; Tennant, A. F.; Elsner, R. F.; Schulz, N. S.; Marshall, H. L.; Karovska, M.; Nichols, J. S.; Swartz, D. A.; Kolodziejczak, J. J.

    2000-01-01

    The Chandra X-ray Observatory observed the Crab Nebula and Pulsar During orbital calibration. Zeroth-order images with the High-Energy Transmission Grating (HETG) read-out by the Advanced CCD Imaging Spectrometer spectroscopy array (ACIS-S) show a striking richness of X-ray structure, at a resolution comparable to that of the best ground-based visible-light observations. The HETG-ACIS-S images reveal, for the first time, an X-ray knots along the inner ring and (perhaps) along the inward extension of the X-ray jet. Although complicated by instrumental effects and the brightness of the Crab Nebula, the spectrometric analysis shows systematic variations of the X-ray spectrum throughout the Nebula.

  19. Spectral action with zeta function regularization

    NASA Astrophysics Data System (ADS)

    Kurkov, Maxim A.; Lizzi, Fedele; Sakellariadou, Mairi; Watcharangkool, Apimook

    2015-03-01

    In this paper we propose a novel definition of the bosonic spectral action using zeta function regularization, in order to address the issues of renormalizability and spectral dimensions. We compare the zeta spectral action with the usual (cutoff-based) spectral action and discuss its origin and predictive power, stressing the importance of the issue of the three dimensionful fundamental constants, namely the cosmological constant, the Higgs vacuum expectation value, and the gravitational constant. We emphasize the fundamental role of the neutrino Majorana mass term for the structure of the bosonic action.

  20. Study on the Response Coefficient of Setback Structures Compared to Regular Moment Frame Structures

    SciTech Connect

    Mirghaderi, S. Rasoul; Khafaf, Bardia; Epackachi, Siamak

    2008-07-08

    In design practice of many countries, seismic analysis and proportioning of structures are usually based upon linear elastic analysis due to reduced seismic forces by response coefficient; R. Setback structures are one of the most popular shapes of the constructed buildings. In setback structures, the shape and proportions of the building have a major effect on distribution of earthquake forces as they work their way through the building. On the other hand, geometric configuration has a profound effect on the structural-dynamic response of a building. Therefore, when a building has irregular features, such as asymmetric in height or vertical discontinuity, the traditional assumptions used in development of seismic criteria for regular buildings may not be applicable. Inelastic seismic behavior of these types of structures seems to be quite different from the regular steel moment resisting structures in which the overall ductility is localized at beam-ends.In order to investigate the seismic behavior and estimate the Response Coefficient of those structures, nonlinear static analysis (pushover) are used for three categories of setback structures namely low rise, medium rise and high rise buildings with different setbacks in their height. The Response Coefficient are calculated and compared with those taken from regular type of moment frame structures.

  1. Inactivation of yeast hexokinase by Cibacron Blue 3G-A: spectral, kinetic and structural investigations.

    PubMed Central

    Puri, R N; Roskoski, R

    1994-01-01

    mol of the blue dye bound per mol of hexokinase after complete inactivation. The inactivated enzyme could not be re-activated in the presence of 1 M NaCl. These results suggest that Cibacron Blue 3G-A inactivated hexokinase by an irreversible adduct formation at or near the active-site. Spectral and kinetic studies coupled with an analysis of the 3D representations of model compounds corresponding to the substructures of the blue dye suggest that 1-amino-4-(N-phenylamino)anthraquinone-2-sulphonic acid part of the blue dye may represent the minimum structure of Cibacron Blue 3G-A necessary to bind hexokinase.(ABSTRACT TRUNCATED AT 400 WORDS) Images Figure 2 PMID:8198558

  2. Quantitative Analysis of the Variability in Spectral Characteristics of MgSO4 and Na2SO4 Brine Solutions for Europa Surface Comparative Analysis

    NASA Astrophysics Data System (ADS)

    Williams, J. L.; Gregorchuk, H.; Jamieson, C. S.; Vance, S.; Dalton, J. B., III

    2014-12-01

    Observations by the NIMS instrument (Near Infrared Mapping Spectrometer) on the Galileo orbiting spacecraft indicate the surface of Europa is largely dominated by water ice and frost. The dark terrain of Europa is likely to also have highly hydrated salts such as magnesium and sodium sulfate. Various hydration states of these compounds have previously been investigated and spectrally characterized. However, frozen brine solutions, which could more directly represent the subsurface ocean composition, have been largely neglected in these studies. Where frozen brine salts have been considered, changes in their reflectance spectra have not been well characterized with respect to changes in concentration, temperature and grain size. We present a quantitative comparison of spectral reflectance changes (0.35-10 μm) of magnesium and sodium sulfate brines with respect to changes in concentration (0%, 1%, 10%, and saturated solutions in water), temperature (100K, 175K, and 250K), and grain size (5 μm to 200μm). We have also developed a novel technique to simulate very fine grain brine frost that could represent emplaced material on the surface by ejection from plumes. This plume material could have physical properties and composition unique from other regions, providing spectroscopic evidence that is diagnostic of surface activity. Our analysis has shown that the spectral features of the frozen brines are grain size dependent, most noticeably near 3.0μm. We intend to use this grain size dependent spectral feature as a diagnostic tool for comparative analysis of surface spectra and visual imaging of geological features. The implications of this research will allow for a better understanding and validation of theories regarding geological morphology, more precise linear mixture modeling for the determination of exact surface composition, and improved inputs for precipitation and fractional crystallization models of ocean content and ocean concentrations.

  3. A novel approach to represent and compare RNA secondary structures

    PubMed Central

    Mattei, Eugenio; Ausiello, Gabriele; Ferrè, Fabrizio; Helmer-Citterich, Manuela

    2014-01-01

    Structural information is crucial in ribonucleic acid (RNA) analysis and functional annotation; nevertheless, how to include such structural data is still a debated problem. Dot-bracket notation is the most common and simple representation for RNA secondary structures but its simplicity leads also to ambiguity requiring further processing steps to dissolve. Here we present BEAR (Brand nEw Alphabet for RNA), a new context-aware structural encoding represented by a string of characters. Each character in BEAR encodes for a specific secondary structure element (loop, stem, bulge and internal loop) with specific length. Furthermore, exploiting this informative and yet simple encoding in multiple alignments of related RNAs, we captured how much structural variation is tolerated in RNA families and convert it into transition rates among secondary structure elements. This allowed us to compute a substitution matrix for secondary structure elements called MBR (Matrix of BEAR-encoded RNA secondary structures), of which we tested the ability in aligning RNA secondary structures. We propose BEAR and the MBR as powerful resources for the RNA secondary structure analysis, comparison and classification, motif finding and phylogeny. PMID:24753415

  4. MWIR/LWIR filter based on Liquid-Crystal Fabry-Perot structure for tunable spectral imaging detection

    NASA Astrophysics Data System (ADS)

    Zhang, Huaidong; Muhammad, Afzal; Luo, Jun; Tong, Qing; Lei, Yu; Zhang, Xinyu; Sang, Hongshi; Xie, Changsheng

    2015-03-01

    An electrically tunable medium-wave infrared (MWIR)/long-wave infrared (LWIR) filter based on the key structure of Liquid-Crystal (LC) Fabry-Perot (FP), which works in the wavelength range from 2.5 μm to 12 μm, is designed and fabricated successfully in this paper. According to the optical interference principle of the FP cavity and electrically controlled birefringence of nematic LC molecules, the particular functions including spectral selection and spectral staring and spectral adjustment, can be realized by the developed MWIR/LWIR filter driven and controlled electrically. As to the LC-FP filter, both planar reflective mirrors are shaped by depositing a layer of aluminum (Al) film (∼60 nm) over one side of double-side polished Zinc Selenide (ZnSe) wafer (∼1 mm), and then polyimide (PI) layer with the thickness of ∼100 nm is coated directly on Al film. With typical sandwich architecture, the depth of the cavity with nematic LC molecules sealed in is ∼7.5 μm. To make sure the LC molecules parallel aligned and twist regularly under voltage driving signal applied on Al film, which also acts as electrode, the V-grooves are formed in PI layer with the depth of ∼90 nm and the width of ∼350 nm at average by strong rubbing. The typical transmission spectrum in MWIR&LWIR wavelength range and several spectral images in MWIR wavelength range based on the fabricated LC-FP filter, have been obtained through applying a voltage driving-signal with different root-means-square (RMS) value over the electrodes of LC-FP filter in the selected voltage range from 0VRMS to 19.8VRMS. The testing result demonstrates a prospect of realization smart spectral imaging and further integrating the LC-FP filter with infrared focal plane arrays (FPAs) to achieve the purpose infrared multispectral imaging. The developed MWIR&LWIR LC-FP filters show some obvious advantages such as wide working wavelength range, electrically tunable spectral selection, ultra-compact, low cost, being

  5. Crystal structure and spectral photosensitivity of thermally evaporated ZnxCd1-xSe thin films

    NASA Astrophysics Data System (ADS)

    Nesheva, D.; Aneva, Z.; Scepanovic, M. J.; Levi, Z.; Iordanova, I.; Popovic, Z. V.

    2011-10-01

    Single layers of ZnxCd1-xSe with various compositions (x = 0.39, 0.52, 0.59, 0.69 and 0.8) were prepared by thermal vacuum evaporation. Consecutive deposition of films from ZnSe and CdSe with equivalent thickness of 0.12, 0.25 or 0.37 nm was applied and the composition was varied by alloying ZnSe and CdSe films with different equivalent thicknesses. Single layers from ZnSe were prepared for comparison. X-ray diffraction, Raman scattering and spectral photocurrent measurements were carried out to get information on the film crystallinity and spectral photosensitivity. It was observed that both binary and ternary films are of cubic structure and nanocrystalline. No pure CdSe or ZnSe phases were found in the ZnxCd1-xSe films but the Raman data indicated that Cd-enriched nanosized regions can exist. The Raman scattering and spectral photocurrent results showed that the optical band gap of the ternary films gradually increased with increasing x and achieved a value of around 2.4 eV for the films with x = 0.8.

  6. Mean centering of ratio spectra and concentration augmented classical least squares in a comparative approach for quantitation of spectrally overlapped bands of antihypertensives in formulations

    NASA Astrophysics Data System (ADS)

    Hegazy, Maha Abdel Monem; Fayez, Yasmin Mohammed

    2015-04-01

    Two different methods manipulating spectrophotometric data have been developed, validated and compared. One is capable of removing the signal of any interfering components at the selected wavelength of the component of interest (univariate). The other includes more variables and extracts maximum information to determine the component of interest in the presence of other components (multivariate). The applied methods are smart, simple, accurate, sensitive, precise and capable of determination of spectrally overlapped antihypertensives; hydrochlorothiazide (HCT), irbesartan (IRB) and candesartan (CAN). Mean centering of ratio spectra (MCR) and concentration residual augmented classical least-squares method (CRACLS) were developed and their efficiency was compared. CRACLS is a simple method that is capable of extracting the pure spectral profiles of each component in a mixture. Correlation was calculated between the estimated and pure spectra and was found to be 0.9998, 0.9987 and 0.9992 for HCT, IRB and CAN, respectively. The methods were successfully determined the three components in bulk powder, laboratory-prepared mixtures, and combined dosage forms. The results obtained were compared statistically with each other and to those of the official methods.

  7. Raman and Mid-IR Spectral Analysis of the Atacamite-Structure Hydroxyl/Deuteroxyl Nickel Chlorides Ni2(OH/D)3Cl

    NASA Astrophysics Data System (ADS)

    Liu, Xiao-Dong; Hagihala, Masato; Zheng, Xu-Guang; Meng, Dong-Dong; Guo, Qi-Xin

    2011-08-01

    Vibrational spectra (Raman 4000-95 cm-1 and mid-IR 4000-400 cm-1) of the atacamite-structure Ni2(OH)3Cl, including a rarely reported kind of asymmetric trimetric hydrogen bond, as a member of the geometrically frustrated material series and its deuteride Ni2(OD)3Cl are, to the best of our knowledge, reported for the first time and analyzed at room temperature. Through a comparative study of four spectra according to their crystal structural parameters, we assign OH stretching modes v(OH) in a functional group region (3700-3400 cm-1) and their deformation modes δ(NiOH/D) in the correlation peak region (900-600 cm-1) with the corresponding mode frequency ratios ωv(OD)/ωv(OH)≈73% and ωδ(NiOD)/ωδ(NiOH)≈75%, and further self-consistently suggest NiO and Ni-Cl related modes in the fingerprint region (500-200 cm-1 and 200-0 cm-1, respectively) by use of the unified six-ligand NiO5Cl and NiO4Cl2 frames. This report may contribute to the spectral analysis of other hydroxyl transition-metal halides and to the understanding of the fundamental physics of their exotic magnetic geometrical frustration property from the spectral changes around the corresponding low transition temperatures.

  8. Molecular Structure of Cyclopropyl (Isocyanato) Silane: A Combined Microwave Spectral and Theoretical Study.

    PubMed

    Guirgis, Gamil A; Askarian, Sahand M; Morris, Tamia; Palmer, Michael H; Pate, Brooks H; Seifert, Nathan A

    2015-12-10

    The molecular equilibrium structures of two conformers (cis and gauche) of C3H5-SiH2-NCO have been deduced by a combination of microwave (MW) spectra at natural abundance including data from (13)C and (29,30)Si isotopomers and ab initio calculations. The MW rotational constants (RCs) for the most abundant isotopes are cis: A = 4216.3617(64), B = 1225.76654(91), and C = 1037.31468(77) MHz and gauche: A = 4955.55(79), B = 1094.9276(81), and C = 942.7031(80) MHz. The symmetric quartic centrifugal distortion constants have been evaluated for the cis conformer, using the I(r) representation for CS symmetry. Only partial substitution structures (PSSs) could be derived from the spectra after inclusion of the above isotopic combinations at each center. Using the PSSs, the full structures were determined by ab initio calculation of the equilibrium structures using coupled-cluster singles and doubles with selected triples configuration calculations (CCSD(T)); the two conformers have an energy difference of 228 cm(-1) (cis lower than gauche). The similarity of the calculated and MW RC results confirms the identities of the two compounds. The more interesting cis conformer has bond lengths C2-Si3, 1.9072(73), C2-C9 1.464(22), and C9-C10 1.4944(33) Å and angles Si3-C2-C10 119.4(12)° and C9-C2-C10 57.1(12)°, with similar results for the gauche conformer. The Si3N4C5 angle is wide in the cis conformer (145°) and nearly linear in the gauche conformer (179°). New physical insights into the bonding of cis conformers of this type have led the identification of an attractive force between the relatively crowded cyclopropyl and isocyanato groups in the cis conformation. This is demonstrated by three methods: Comparing electronic charges (both AIMALL and Mulliken analyses) in the pair of conformers shows a relative shift of density between these groups in the cis compound. Comparison of the highest occupied molecular orbitals (HOMOs) shows major mixing of density, exemplified by

  9. Optical properties of narrow-band spectral filter coatings related to layer structure and preparation.

    PubMed

    Gibson, D; Lissberger, P H

    1983-01-15

    The optical properties of thirty-five all-dielectric spectral filter coatings for the visible spectrum have been investigated and correlated with the deposition conditions of the constituent layers of cryolite and zinc sulfide and with the processes which occur when the coatings are exposed to atmosphere. It will be shown that the results of measurements of transmittance and reflectance over the passband wavelengths can be predicted theoretically only if account is taken of absorption in the layers and scattering at the rough boundaries and of changes in the refractive indices of the layers due to water penetration. PMID:18195779

  10. A novel method to compare protein structures using local descriptors

    PubMed Central

    2011-01-01

    Background Protein structure comparison is one of the most widely performed tasks in bioinformatics. However, currently used methods have problems with the so-called "difficult similarities", including considerable shifts and distortions of structure, sequential swaps and circular permutations. There is a demand for efficient and automated systems capable of overcoming these difficulties, which may lead to the discovery of previously unknown structural relationships. Results We present a novel method for protein structure comparison based on the formalism of local descriptors of protein structure - DEscriptor Defined Alignment (DEDAL). Local similarities identified by pairs of similar descriptors are extended into global structural alignments. We demonstrate the method's capability by aligning structures in difficult benchmark sets: curated alignments in the SISYPHUS database, as well as SISY and RIPC sets, including non-sequential and non-rigid-body alignments. On the most difficult RIPC set of sequence alignment pairs the method achieves an accuracy of 77% (the second best method tested achieves 60% accuracy). Conclusions DEDAL is fast enough to be used in whole proteome applications, and by lowering the threshold of detectable structure similarity it may shed additional light on molecular evolution processes. It is well suited to improving automatic classification of structure domains, helping analyze protein fold space, or to improving protein classification schemes. DEDAL is available online at http://bioexploratorium.pl/EP/DEDAL. PMID:21849047

  11. Structural and vibrational spectral investigations of melaminium maleate monohydrate by FTIR, FT-Raman and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

    The structural investigations of the molecular complex of melamine with maleic acid, namely melaminium maleate monohydrate have been carried out by quantum chemical methods in addition to FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical studies were performed with DFT (B3LYP) method using 6-31G**, cc-pVDZ and 6-311++G** basis sets to determine the energy, structural and thermodynamic parameters of melaminium maleate monohydrate. The hydrogen atom from maleic acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H⋯O and Nsbnd H⋯O hydrogen bonds shows notable vibrational effects.

  12. Electronic structure and spectral properties of paramagnetic point defects in Si3N4

    NASA Astrophysics Data System (ADS)

    Pacchioni, Gianfranco; Erbetta, Davide

    1999-11-01

    The geometric and electronic structure and the optical, vibrational, and magnetic properties of paramagnetic point defects in Si3N4 have been studied by means of ab initio quantum-chemical methods. Using cluster models and gradient-corrected density functional theory or configuration interaction (CI) wave functions, we have studied the N3≡Si• and Si2=N• paramagnetic point defects, also known as K0 and N0 centers, respectively. The computed ground-state properties, in particular the hyperfine coupling constants of N3≡Si• and Si2=N•, the vibrational spectra of the corresponding hydrogenated centers, N3≡Si-H and Si2=N-H, and the valence density of states are correctly described, showing the adequacy of the cluster models used for the study of point defects in silicon nitride. The optical transitions associated with N and K centers have been computed by means of CI calculations. The results are compared with those of the analogous defects in SiO2, the nonbridging oxygen and the E' center, respectively.

  13. Molecular structure, intramolecular hydrogen bonding and vibrational spectral investigation of 2-fluoro benzamide - A DFT approach

    NASA Astrophysics Data System (ADS)

    Krishnakumar, V.; Murugeswari, K.; Surumbarkuzhali, N.

    2013-10-01

    The FTIR and FT-Raman spectra of 2-fluoro benzamide (2FBA) have been recorded in the region 4000-400 and 4000-100 cm-1, respectively. The structural analysis, hydrogen bonding, optimized geometry, frequency and intensity of the vibrational bands of 2FBA were obtained by the density functional theory (DFT) with complete relaxation in the potential energy surface using 6-31G** basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. The 13C NMR spectra have been recorded and 13C nuclear magnetic resonance chemical shifts of the molecule were also calculated using the gauge independent atomic orbital (GIAO) method and their respective linear correlations were obtained. The electronic properties, such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. The Mulliken charges, the values of electric dipole moment (μ) of the molecule were computed using DFT calculations. The change in electron density (ED) in the σ* antibonding orbitals and stabilization energies E(2) have been calculated by natural bond (NBO) analysis to give clear evidence of stabilization originating in the hyper conjugation of hydrogen-bonded interactions.

  14. Synthesis, growth, vibrational spectral investigations and structure-property relationship of an organic NLO crystal: 3,4-Dimethoxy chalcone

    NASA Astrophysics Data System (ADS)

    Alen, S.; Sajan, D.; Joseph, Lynnette; Chaitanya, K.; Shettigar, Venkataraya; Jothy, V. Bena

    2015-09-01

    3,4-Dimethoxy chalcone, a nonlinear optical material, was synthesized and noncentro symmetric single crystals were grown in solution by slow evaporation technique. Thermal analysis such as DSC revealed a good thermal stability of 3,4-dimethoxy chalcone. The FT-IR and FT-Raman spectral studies were carried out to investigate the structural properties of the title compound. The molecular orbitals and natural bond analysis of this material were calculated by Density Functional Theory calculations. The second harmonic conversion efficiency was determined using the Kurtz powder technique, which is 8 times that of urea.

  15. Unusual isolation of a hemiaminal product from 4-cyclohexyl-3-thiosemicarbazide and di-2-pyridyl ketone: Structural and spectral investigations

    NASA Astrophysics Data System (ADS)

    Suni, V.; Kurup, M. R. Prathapachandra; Nethaji, Munirathinam

    2005-07-01

    Stable hemiaminal product was isolated as single crystals from the condensation reaction of di-2-pyridyl ketone with 4-cyclohexyl-3-thiosemicarbazide and structurally and spectrochemically characterized. The compound is the first report of a stable hemiaminal product of the condensation reaction of a substituted thiosemicarbazone. Spectral characterization was carried out using IR, UV-vis., 1H NMR, 13C NMR, COSY and HMQC. The compound crystallizes into a triclinic lattice with space group P-1. The molecule reveals a highly strained ZE conformation and a one-dimensional packing is effected by a network of intermolecular hydrogen bonding interactions in the unit cell.

  16. Alterations in the infrared spectral signature of avian feathers reflect potential chemical exposure: a pilot study comparing two sites in Pakistan.

    PubMed

    Llabjani, Valon; Malik, Riffat N; Trevisan, Júlio; Hoti, Valmira; Ukpebor, Justina; Shinwari, Zabta K; Moeckel, Claudia; Jones, Kevin C; Shore, Richard F; Martin, Francis L

    2012-11-01

    Chemical contamination of ecosystems is a global issue with evidence that pollutants impact on living organisms in a harmful fashion. Developing sensor approaches that would allow the derivation of biomarkers or signatures of effect in target sentinel organisms and monitor environmental chemical contamination in a high throughput manner is of utmost importance. As biomolecules absorb infrared (IR), signature vibrational spectra related to structure and function can be derived. In light of this, we tested the notion that IR spectra of bird feathers might reflect environmental chemical contaminant exposure patterns. Feathers were collected from monospecific heronries of cattle egret based in two independent locations (Trimu vs. Mailsi) in the Punjab province of Pakistan; these sites were found to differ in their chemical contamination patterns. Feather samples were chemically analyzed for polychlorinated biphenyls, polybrominated diphenyl ethers, organochlorines and heavy metals. Attenuated total reflection Fourier-transform IR (ATR-FTIR) spectroscopy was employed to derive a spectral signature of individual feathers. Resultant IR spectra were then subjected to canonical correspondence analysis (CAA) to determine whether feather spectral signatures correlate to chemical exposure. Additionally, we explored if principal component analysis (PCA) and linear discriminant analysis (LDA) could be applied to distinguish site-specific differences; linear discriminant function (LDF) was also applied to classify sites. The sampled feathers varied in their chemical exposure patterns depending on whether they were sourced from one site associated with heavy metal exposure or the other which suggested high organic pollutant exposures. CCA of chemical and spectral data showed a correlation between spectral signatures and chemical exposure. PCA-LDA readily distinguished feathers from the two different sites. Discriminating alterations were identified and these were associated with

  17. Spectral and polarization structure of field-induced photonic bands in cholesteric liquid crystals

    NASA Astrophysics Data System (ADS)

    Palto, S. P.; Barnik, M. I.; Geivandov, A. R.; Kasyanova, I. V.; Palto, V. S.

    2015-09-01

    Transmission of planar layers of cholesteric liquid crystals is studied in pulsed electric fields perpendicular to the helix axis at normal incidence of both linearly polarized and unpolarized light. Spectral and light polarization properties of the primary photonic band and the field-induced bands up to fourth order of Bragg selective reflection are studied in detail. In our experiments we have achieved an electric field strength several times higher than the theoretical values corresponding to the critical field of full helix unwinding. However, the experiments show that despite the high strength of the electric field applied the helix does not unwind, but strongly deforms, keeping its initial spatial period. Strong helix deformation results in distinct spectral band splitting, as well as very high field-induced selective reflectance that can be applied in lasers and other optoelectronic devices. Peculiarities of inducing and splitting the bands are discussed in terms of the scattering coefficient approach. All observed effects are confirmed by numerical simulations. The simulations also show that liquid crystal surface anchoring is not the factor that prevents the helix unwinding. Thus, the currently acknowledged concept of continuous helix unwinding in the electric field should be reconsidered.

  18. No-reference sharpness assessment of camera-shaken images by analysis of spectral structure.

    PubMed

    Oh, Taegeun; Park, Jincheol; Seshadrinathan, Kalpana; Lee, Sanghoon; Bovik, Alan Conrad

    2014-12-01

    The tremendous explosion of image-, video-, and audio-enabled mobile devices, such as tablets and smart-phones in recent years, has led to an associated dramatic increase in the volume of captured and distributed multimedia content. In particular, the number of digital photographs being captured annually is approaching 100 billion in just the U.S. These pictures are increasingly being acquired by inexperienced, casual users under highly diverse conditions leading to a plethora of distortions, including blur induced by camera shake. In order to be able to automatically detect, correct, or cull images impaired by shake-induced blur, it is necessary to develop distortion models specific to and suitable for assessing the sharpness of camera-shaken images. Toward this goal, we have developed a no-reference framework for automatically predicting the perceptual quality of camera-shaken images based on their spectral statistics. Two kinds of features are defined that capture blur induced by camera shake. One is a directional feature, which measures the variation of the image spectrum across orientations. The second feature captures the shape, area, and orientation of the spectral contours of camera shaken images. We demonstrate the performance of an algorithm derived from these features on new and existing databases of images distorted by camera shake. PMID:25350928

  19. Electronic structure, vibrational spectral and intervening orbital interactions studies of NLO material: Guanidinium 4-nitrobenzoate

    NASA Astrophysics Data System (ADS)

    Sasikala, V.; Sajan, D.; Job Sabu, K.; Arumanayagam, T.; Murugakoothan, P.

    2015-03-01

    Single crystals of guanidinium 4-nitrobenzoate (GPNB) have been grown by slow evaporation method. Grown crystals were characterized by FT-IR, FT-Raman, UV-Vis absorption and UV-Vis transmission spectroscopies. Crystal defects and surface morphology were studied by etching method. Dielectric properties of the crystal such as dielectric constant, dielectric loss and AC electrical conductivity as function of frequency (50 Hz-5 MHz) at two temperatures (35 °C and 100 °C) were measured. The frequency and temperature dependence of dielectric behaviour were investigated. The equilibrium geometry, vibrational spectral analysis, intramolecular charge transfer interactions using NBO method, first order hyperpolarizability, molecular electrostatic potential and frontier molecular orbital analysis for GPNB have been studied using density functional theory at B3LYP/cc-pVTZ level. Vibrational spectral study reveals the presence of moderate and weak Nsbnd H⋯O bonds in GPNB. NBO analysis also confirms the presence of intramolecular Nsbnd H⋯O hydrogen bonding and investigates the stability as well as the intervening orbital interactions. The electronic absorption spectrum of the gas and water phases of GPNB were simulated using time dependent density functional theory and NBO transitions for the three lowest excited states were assigned and studied.

  20. Synthesis, structural, spectral, electrochemical and catalytic properties of VO (IV) complexes containing N, O donors

    NASA Astrophysics Data System (ADS)

    Kanmani Raja, K.; Lekha, L.; Hariharan, R.; Easwaramoorthy, D.; Rajagopal, G.

    2014-10-01

    Complexes of the general formula M (X-DPMP)2 [where, (M = VOIV), DPMP = 2-[(2,6-Diisopropyl-phenylimino)-methyl]-phenol and X = Br, BrCl, Ph] have been synthesized and characterized by IR, electronic, ESR spectral, magnetic and cyclic voltammetry measurements. The newly synthesized Schiff bases act as monobasic bidentate ligand in their complexes. The spectral data indicate that the ligand coordinates through the phenolic oxygen and azomethine nitrogen atoms. The observed parameters, hyperfine splitting constant (A) and Landé splitting energy (g) are found to be in good agreement with the values generally observed for the vanadyl complex with square pyramidal geometry. The cyclic voltammetric redox potentials of VO (IV) complexes suggest the existence of irreversible pairs in acetonitrile. The vanadium complexes were screened for sulfide oxidation studies and VO (C19H21BrON)2 or [VO (Br-DPMP)2] was found to be an efficient catalyst for the oxidation of various sulfides to sulfoxides with PhIO terminal oxidant. Both aryl and alkyl sulfides were selected and converted into sulfoxides in good to excellent yields.

  1. Hybrid Finite Element-Fast Spectral Domain Multilayer Boundary Integral Modeling of Doubly Periodic Structures

    SciTech Connect

    T.F. Eibert; J.L. Volakis; Y.E. Erdemli

    2002-03-03

    Hybrid finite element (FE)--boundary integral (BI) analysis of infinite periodic arrays is extended to include planar multilayered Green's functions. In this manner, a portion of the volumetric dielectric region can be modeled via the finite element method whereas uniform multilayered regions can be modeled using a multilayered Green's function. As such, thick uniform substrates can be modeled without loss of efficiency and accuracy. The multilayered Green's function is analytically computed in the spectral domain and the resulting BI matrix-vector products are evaluated via the fast spectral domain algorithm (FSDA). As a result, the computational cost of the matrix-vector products is kept at O(N). Furthermore, the number of Floquet modes in the expansion are kept very few by placing the BI surfaces within the computational unit cell. Examples of frequency selective surface (FSS) arrays are analyzed with this method to demonstrate the accuracy and capability of the approach. One example involves complicated multilayered substrates above and below an inhomogeneous filter element and the other is an optical ring-slot array on a substrate several hundred wavelengths in thickness. Comparisons with measurements are included.

  2. Electronic structure, vibrational spectral and intervening orbital interactions studies of NLO material: guanidinium 4-nitrobenzoate.

    PubMed

    Sasikala, V; Sajan, D; Sabu, K Job; Arumanayagam, T; Murugakoothan, P

    2015-03-15

    Single crystals of guanidinium 4-nitrobenzoate (GPNB) have been grown by slow evaporation method. Grown crystals were characterized by FT-IR, FT-Raman, UV-Vis absorption and UV-Vis transmission spectroscopies. Crystal defects and surface morphology were studied by etching method. Dielectric properties of the crystal such as dielectric constant, dielectric loss and AC electrical conductivity as function of frequency (50 Hz-5 MHz) at two temperatures (35°C and 100°C) were measured. The frequency and temperature dependence of dielectric behaviour were investigated. The equilibrium geometry, vibrational spectral analysis, intramolecular charge transfer interactions using NBO method, first order hyperpolarizability, molecular electrostatic potential and frontier molecular orbital analysis for GPNB have been studied using density functional theory at B3LYP/cc-pVTZ level. Vibrational spectral study reveals the presence of moderate and weak N-H⋯O bonds in GPNB. NBO analysis also confirms the presence of intramolecular N-H⋯O hydrogen bonding and investigates the stability as well as the intervening orbital interactions. The electronic absorption spectrum of the gas and water phases of GPNB were simulated using time dependent density functional theory and NBO transitions for the three lowest excited states were assigned and studied. PMID:25600681

  3. [Spectral analysis of fiber bragg grating modulated by double long period grating and its application in smart structure monitoring].

    PubMed

    Lu, Ji-Yun; Liang, Da-Kai; Zhang, Xiao-Li; Zhu, Zhu

    2009-12-01

    Spectrum of fiber bragg grating (FBG) sensor modulated by double long period grating (LPFG) is proposed in the paper. Double LPFG consists of two LPFGS whose center wavelengths are the same and reflection spectrum of FBG sensor is located in linear range of double LPFG transmission spectrum. Based on spectral analysis of FBG and double LPFG, reflection spectrum of FBG modulated by double LPFG is obtained and studied by use of band-hider filter characteristics for double LPFG. An FBG sensor is attached on the surface of thin steel beam, which is strained by bending, and the center wavelength of FBG sensor will shift. The spectral peak of FBG sensor modulated by double LPFG is changed correspondingly, and the spectral change will lead to variation in exit light intensity from double LPFG. Experiment demonstrates that the relation of filtering light intensity from double LPFG monitored by optical power meter to center wavelength change of FBG sensor is linear and the minimum strain of material (steel beam) detected by the modulation and demodulation system is 1.05 microepsilon. This solution is used in impact monitoring of optical fibre smart structure, and FBG sensor is applied for impulse response signal monitoring induced by low-velocity impact, when impact pendulum is loaded to carbon fiber-reinforced plastics (CFP). The acquired impact response signal and fast Fourier transform of the signal detected by FBG sensor agree with the measurement results of eddy current displacement meter attached to the FBG sensor. From the results, the present method using FBG sensor is found to be effective for monitoring the impact. The research provides a practical reference in dynamic monitoring of optical fiber smart structure field. PMID:20210187

  4. Quantifying variances in comparative RNA secondary structure prediction

    PubMed Central

    2013-01-01

    Background With the advancement of next-generation sequencing and transcriptomics technologies, regulatory effects involving RNA, in particular RNA structural changes are being detected. These results often rely on RNA secondary structure predictions. However, current approaches to RNA secondary structure modelling produce predictions with a high variance in predictive accuracy, and we have little quantifiable knowledge about the reasons for these variances. Results In this paper we explore a number of factors which can contribute to poor RNA secondary structure prediction quality. We establish a quantified relationship between alignment quality and loss of accuracy. Furthermore, we define two new measures to quantify uncertainty in alignment-based structure predictions. One of the measures improves on the “reliability score” reported by PPfold, and considers alignment uncertainty as well as base-pair probabilities. The other measure considers the information entropy for SCFGs over a space of input alignments. Conclusions Our predictive accuracy improves on the PPfold reliability score. We can successfully characterize many of the underlying reasons for and variances in poor prediction. However, there is still variability unaccounted for, which we therefore suggest comes from the RNA secondary structure predictive model itself. PMID:23634662

  5. Structures and spectral variations of the outer heliosphere in IBEX energetic neutral atom maps.

    PubMed

    Funsten, H O; Allegrini, F; Crew, G B; DeMajistre, R; Frisch, P C; Fuselier, S A; Gruntman, M; Janzen, P; McComas, D J; Möbius, E; Randol, B; Reisenfeld, D B; Roelof, E C; Schwadron, N A

    2009-11-13

    The Interstellar Boundary Explorer (IBEX) has obtained all-sky images of energetic neutral atoms emitted from the heliosheath, located between the solar wind termination shock and the local interstellar medium (LISM). These flux maps reveal distinct nonthermal (0.2 to 6 kilo-electron volts) heliosheath proton populations with spectral signatures ordered predominantly by ecliptic latitude. The maps show a globally distributed population of termination-shock-heated protons and a superimposed ribbonlike feature that forms a circular arc in the sky centered on ecliptic coordinate (longitude lambda, latitude beta) = (221 degrees, 39 degrees), probably near the direction of the LISM magnetic field. Over the IBEX energy range, the ribbon's nonthermal ion pressure multiplied by its radial thickness is in the range of 70 to 100 picodynes per square centimeter AU (AU, astronomical unit), which is significantly larger than the 30 to 60 picodynes per square centimeter AU of the globally distributed population. PMID:19833918

  6. Spectrally-resolved Soft X-ray Observations and the Temperature Structure of the Solar Corona

    NASA Astrophysics Data System (ADS)

    Caspi, Amir; Warren, Harry; McTiernan, James; Woods, Thomas N.

    2015-04-01

    Solar X-ray observations provide important diagnostics of plasma heating and particle acceleration, during solar flares and quiescent periods. How the corona is heated to its ~1-3 MK nominal temperature remains one of the fundamental unanswered questions of solar physics; heating of plasma to tens of MK during solar flares -- particularly to the hottest observed temperatures of up to ~50 MK -- is also still poorly understood. Soft X-ray emission (~0.1-10 keV; or ~0.1-10 nm) is particularly sensitive to hot coronal plasma and serves as a probe of the thermal processes driving coronal plasma heating. Spectrally- and temporally-resolved measurements are crucial for understanding these energetic processes, but there have historically been very few such observations. We present new solar soft X-ray spectra from the Amptek X123-SDD, measuring quiescent solar X-ray emission from ~0.5 to ~30 keV with ~0.15 keV FWHM resolution from two SDO/EVE calibration sounding rocket underflights in 2012 and 2013. Combined with observations from RHESSI, GOES/XRS, SDO/EVE, and SDO/AIA, the temperature distribution derived from these data suggest significant hot (5-10 MK) emission from active regions, and the 2013 spectra suggest a low-FIP enhancement of only ~1.6 relative to the photosphere, 40% of the usually-observed value from quiescent coronal plasma. We explore the implications of these findings on coronal heating. We discuss future missions for spectrally-resolved soft X-ray observations using the X123-SDD, including the upcoming MinXSS 3U CubeSat using the X123-SDD and scheduled for deployment in mid-2015, and the CubIXSS 6U CubeSat mission concept.

  7. Platform to investigate aqueous outflow system structure and pressure-dependent motion using high-resolution spectral domain optical coherence tomography

    NASA Astrophysics Data System (ADS)

    Hariri, Sepideh; Johnstone, Murray; Jiang, Yi; Padilla, Steven; Zhou, Zhehai; Reif, Roberto; Wang, Ruikang K.

    2014-10-01

    The aqueous outflow system (AOS) is responsible for maintaining normal intraocular pressure (IOP) in the eye. Structures of the AOS have an active role in regulating IOP in healthy eyes and these structures become abnormal in the eyes with glaucoma. We describe a newly developed system platform to obtain high-resolution images of the AOS structures. By incorporating spectral domain optical coherence tomography (SD-OCT), the platform allows us to systematically control, image, and quantitate the responses of AOS tissue to pressure with a millisecond resolution of pulsed flow. We use SD-OCT to image radial limbal segments from the surface of the trabecular meshwork (TM) with a spatial resolution of ˜5 μm in ex vivo nonhuman primate eyes. We carefully insert a cannula into Schlemm's canal (SC) to control both pressures and flow rates. The experimental results demonstrate the capability of the platform to visualize the unprecedented details of AOS tissue components comparable to that delivered by scanning electron microscopy, as well as to delineate the complex pressure-dependent relationships among the TM, structures within the SC, and collector channel ostia. The described technique provides a new means to characterize the anatomic and pressure-dependent relationships of SC structures, particularly the active motion of collagenous elements at collector channel ostia; such relationships have not previously been amenable to study. Experimental findings suggest that continuing improvements in the OCT imaging of the AOS may provide both insights into the glaucoma enigma and improvements in its management.

  8. Synthesis, crystal structure, vibrational spectral and density functional studies of 4-(1,3-dioxoisoindolin-2-yl)antipyrine

    NASA Astrophysics Data System (ADS)

    Yu, Zongxue; Sun, Gang; Liu, Zengwei; Yu, Cheng; Huang, Changliang; Sun, Yuxi

    2012-12-01

    The 4-(1,3-dioxoisoindolin-2-yl)antipyrine, C19H15N3O3, was synthesized by the condensation reaction of 4-aminoantipyrine and phthalic anhydride in ethanol solution using triethylamine as catalyst, and characterized by X-ray diffraction and spectral techniques. The experimental spectral bands were structurally assigned with the theoretical calculation, and the thermodynamic properties of the studied compound were obtained from the theoretically calculated frequencies. The linear polarizability (α0) and first hyperpolarizabilities (β0) calculated at B3LYP/6-31G(d) level are of 33.6921 Å3 and 2.7835 × 10-30 cm5/esu, respectively. The NBO analysis reveals that the studied molecule presents a structural characteristic of long-range electron-transfer with the energy gap of ⩾3.639 eV. The frontier molecular orbitals are responsible for the electron polarization and long-range electron-transfer properties. The results indicate that the compound might be an excellent candidate of photo-responsive materials.

  9. Comparing two tetraalkylammonium ionic liquids. I. Liquid phase structure

    NASA Astrophysics Data System (ADS)

    Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.; Ribeiro, Mauro C. C.; Giles, Carlos

    2016-06-01

    X-ray scattering experiments at room temperature were performed for the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2]. The peak in the diffraction data characteristic of charge ordering in [N1444][NTf2] is shifted to longer distances in comparison to [N1114][NTf2], but the peak characteristic of short-range correlations is shifted in [N1444][NTf2] to shorter distances. Molecular dynamics (MD) simulations were performed for these ionic liquids using force fields available from the literature, although with new sets of partial charges for [N1114]+ and [N1444]+ proposed in this work. The shifting of charge and adjacency peaks to opposite directions in these ionic liquids was found in the static structure factor, S(k), calculated by MD simulations. Despite differences in cation sizes, the MD simulations unravel that anions are allowed as close to [N1444]+ as to [N1114]+ because anions are located in between the angle formed by the butyl chains. The more asymmetric molecular structure of the [N1114]+ cation implies differences in partial structure factors calculated for atoms belonging to polar or non-polar parts of [N1114][NTf2], whereas polar and non-polar structure factors are essentially the same in [N1444][NTf2]. Results of this work shed light on controversies in the literature on the liquid structure of tetraalkylammonium based ionic liquids.

  10. Comparing two tetraalkylammonium ionic liquids. I. Liquid phase structure.

    PubMed

    Lima, Thamires A; Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C; Giles, Carlos

    2016-06-14

    X-ray scattering experiments at room temperature were performed for the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2]. The peak in the diffraction data characteristic of charge ordering in [N1444][NTf2] is shifted to longer distances in comparison to [N1114][NTf2], but the peak characteristic of short-range correlations is shifted in [N1444][NTf2] to shorter distances. Molecular dynamics (MD) simulations were performed for these ionic liquids using force fields available from the literature, although with new sets of partial charges for [N1114](+) and [N1444](+) proposed in this work. The shifting of charge and adjacency peaks to opposite directions in these ionic liquids was found in the static structure factor, S(k), calculated by MD simulations. Despite differences in cation sizes, the MD simulations unravel that anions are allowed as close to [N1444](+) as to [N1114](+) because anions are located in between the angle formed by the butyl chains. The more asymmetric molecular structure of the [N1114](+) cation implies differences in partial structure factors calculated for atoms belonging to polar or non-polar parts of [N1114][NTf2], whereas polar and non-polar structure factors are essentially the same in [N1444][NTf2]. Results of this work shed light on controversies in the literature on the liquid structure of tetraalkylammonium based ionic liquids. PMID:27306015

  11. Synchrotron Infrared Spectroscopy with Multivariate Spectral Analyses Potentially Facilitates the Classification of Inherent Structures of Feed-Type of Sorghum

    SciTech Connect

    Yu Peiqiang; Damiran, Daalkhaijav; Liu Dasen

    2010-02-03

    The objective of this study was to investigate the inherent structural-chemical features of Chinese feed-type sorghum seed using synchrotron-radiation Fourier transform infrared microspectroscopy (SRFTIRM) with two multivariate molecular spectral analysis techniques: Agglomerative Hierarchical cluster (AHCA) and principal component analyses (PCA). The results show that by application of these two multivariate techniques with the infrared spectroscopy of the SRFTIRM, it makes possible to discriminate and classify the inherent molecular structural features among the different layers of sorghum with a great efficiency. With the SRFTIRM, images of the molecular chemistry of sorghum could be generated at an ultra-spatial resolution. The features of nutrient matrix and nutrient make-up and interactions could be revealed.

  12. Structural evolution of the one-dimensional spectral function from the low- to the high-energy limit

    NASA Astrophysics Data System (ADS)

    Maebashi, Hideaki; Takada, Yasutami

    2014-05-01

    By exactly analyzing the spin-1/2 Luttinger liquid (LL) and numerically solving a model of a mobile impurity electron in the LL, we obtain the one-electron spectral function A (p,ω) in a one-dimensional metal in an entire range of p at zero temperature. For |p| near the Fermi point pF, A (p,ω) is featured by two prominent peaks of spinon and (anti)holon representing spin-charge separation, but we also find an additional cusp structure between them. For |p|≫pF, this structure evolves as a main peak in A (p,ω) by swallowing the antiholon mode and its dispersion relation approaches that of a free electron, implying the existence of an electron excitation in the whole region, but not quite a quasiparticle in the Fermi liquid due to ever existing power-law decay of the excitation.

  13. In vivo early retinal structural alterations following laser photocoagulation using three-dimensional spectral domain optical coherence tomography.

    PubMed

    Saxena, Sandeep; Mishra, Nibha; Ruia, Surabhi; Akduman, Levent

    2016-01-01

    To study the retinal structural alterations and surface topography of retinal pigment epithelium (RPE) immediately following laser photocoagulation up to day 7. Cross-sectional retinal imaging and RPE segmentation maps on spectral domain optical coherence tomography were obtained immediately at hour 1, day 1, day 4 and day 7 following 532 nm neodymium:YAG laser photocoagulation in a 56-year-old male patient for branch retinal vein occlusion. Immediately postlaser, loss of reflectivity of all the retinal layers was observed. At hour 1, hyper-reflectivity of outer retinal layers was observed with increase in hyporeflective spaces by day 1. Immediately postlaser, pitting of the RPE was observed on surface topography which regressed at day 1. On day 4, smooth RPE surface topography was observed with the occurrence of small elevated areas on day 7. The present report provides an insight into the in vivo changes in the retinal structure and RPE surface topography after laser photocoagulation. PMID:27402655

  14. How do disordered regions achieve comparable functions to structured domains?

    PubMed Central

    Latysheva, Natasha S; Flock, Tilman; Weatheritt, Robert J; Chavali, Sreenivas; Babu, M Madan

    2015-01-01

    The traditional structure to function paradigm conceives of a protein's function as emerging from its structure. In recent years, it has been established that unstructured, intrinsically disordered regions (IDRs) in proteins are equally crucial elements for protein function, regulation and homeostasis. In this review, we provide a brief overview of how IDRs can perform similar functions to structured proteins, focusing especially on the formation of protein complexes and assemblies and the mediation of regulated conformational changes. In addition to highlighting instances of such functional equivalence, we explain how differences in the biological and physicochemical properties of IDRs allow them to expand the functional and regulatory repertoire of proteins. We also discuss studies that provide insights into how mutations within functional regions of IDRs can lead to human diseases. PMID:25752799

  15. Comparative study of novel versus conventional two-wavelength spectrophotometric methods for analysis of spectrally overlapping binary mixture

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam M.; Hegazy, Maha A.; Rezk, Mamdouh R.; Omran, Yasmin Rostom

    2015-09-01

    Smart spectrophotometric methods have been applied and validated for the simultaneous determination of a binary mixture of chloramphenicol (CPL) and prednisolone acetate (PA) without preliminary separation. Two novel methods have been developed; the first method depends upon advanced absorbance subtraction (AAS), while the other method relies on advanced amplitude modulation (AAM); in addition to the well established dual wavelength (DW), ratio difference (RD) and constant center coupled with spectrum subtraction (CC-SS) methods. Accuracy, precision and linearity ranges of these methods were determined. Moreover, selectivity was assessed by analyzing synthetic mixtures of both drugs. The proposed methods were successfully applied to the assay of drugs in their pharmaceutical formulations. No interference was observed from common additives and the validity of the methods was tested. The obtained results have been statistically compared to that of official spectrophotometric methods to give a conclusion that there is no significant difference between the proposed methods and the official ones with respect to accuracy and precision.

  16. The HIFI spectral survey of AFGL 2591 (CHESS). III. Chemical structure of the protostellar envelope

    NASA Astrophysics Data System (ADS)

    Kaźmierczak-Barthel, M.; Semenov, D. A.; van der Tak, F. F. S.; Chavarría, L.; van der Wiel, M. H. D.

    2015-02-01

    Aims: The aim of this work is to understand the richness of chemical species observed in the isolated high-mass envelope of AFGL 2591, a prototypical object for studying massive star formation. Methods: Based on HIFI and JCMT data, the molecular abundances of species found in the protostellar envelope of AFGL 2591 were derived with a Monte Carlo radiative transfer code (Ratran), assuming a mixture of constant and 1D stepwise radial profiles for abundance distributions. The reconstructed 1D abundances were compared with the results of the time-dependent gas-grain chemical modeling, using the best-fit 1D power-law density structure. The chemical simulations were performed considering ages of 1-5 × 104 years, cosmic ray ionization rates of 5-500 × 10-17 s-1, uniformly-sized 0.1-1 μm dust grains, a dust/gas ratio of 1%, and several sets of initial molecular abundances with C/O < 1 and >1. The most important model parameters varied one by one in the simulations are age, cosmic ray ionization rate, external UV intensity, and grain size. Results: Constant abundance models give good fits to the data for CO, CN, CS, HCO+, H2CO, N2H+, CCH, NO, OCS, OH, H2CS, O, C, C+, and CH. Models with an abundance jump at 100 K give good fits to the data for NH3, SO, SO2, H2S, H2O, HCl, and CH3OH. For HCN and HNC, the best models have an abundance jump at 230 K. The time-dependent chemical model can accurately explain abundance profiles of 15 out of these 24 species. The jump-like radial profiles for key species like HCO+, NH3, and H2O are consistent with the outcome of the time-dependent chemical modeling. The best-fit model has a chemical age of ~10-50 kyr, a solar C/O ratio of 0.44, and a cosmic-ray ionization rate of ~5 × 10-17 s-1. The grain properties and the intensity of the external UV field do not strongly affect the chemical structure of the AFGL 2591 envelope, whereas its chemical age, the cosmic-ray ionization rate, and the initial abundances play an important role

  17. Preparation, crystal structure, vibrational spectral and density functional studies of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate

    NASA Astrophysics Data System (ADS)

    Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Renganathan, N. G.; Gunasekaran, S.; Anbalagan, G.

    2013-10-01

    An organic-organic salt, bis (4-nitrophenol) 2,4,6-triamino 1,3,5-triazine monohydrate (BNPM) has been prepared by slow evaporation technique at room temperature. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in triclinic system with centrosymmetric space group P-1. IR and Raman spectra of BNPM have been recorded and analyzed. The study has been extended to confocal Raman spectral analysis. Band assignments have been made for the melamine and p-nitrophenol molecules. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory calculations using Firefly (PC GAMESS) Version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with the experimental one. The Mulliken charges, HOMO-LUMO orbital energies are calculated and analyzed. The chemical structure of the compound was established by 1H NMR and 13C NMR spectra.

  18. Comparative static curing versus dynamic curing on tablet coating structures.

    PubMed

    Gendre, Claire; Genty, Muriel; Fayard, Barbara; Tfayli, Ali; Boiret, Mathieu; Lecoq, Olivier; Baron, Michel; Chaminade, Pierre; Péan, Jean Manuel

    2013-09-10

    Curing is generally required to stabilize film coating from aqueous polymer dispersion. This post-coating drying step is traditionally carried out in static conditions, requiring the transfer of solid dosage forms to an oven. But, curing operation performed directly inside the coating equipment stands for an attractive industrial application. Recently, the use of various advanced physico-chemical characterization techniques i.e., X-ray micro-computed tomography, vibrational spectroscopies (near infrared and Raman) and X-ray microdiffraction, allowed new insights into the film-coating structures of dynamically cured tablets. Dynamic curing end-point was efficiently determined after 4h. The aim of the present work was to elucidate the influence of curing conditions on film-coating structures. Results demonstrated that 24h of static curing and 4h of dynamic curing, both performed at 60°C and ambient relative humidity, led to similar coating layers in terms of drug release properties, porosity, water content, structural rearrangement of polymer chains and crystalline distribution. Furthermore, X-ray microdiffraction measurements pointed out different crystalline coating compositions depending on sample storage time. An aging mechanism might have occur during storage, resulting in the crystallization and the upward migration of cetyl alcohol, coupled to the downward migration of crystalline sodium lauryl sulfate within the coating layer. Interestingly, this new study clearly provided further knowledge into film-coating structures after a curing step and confirmed that curing operation could be performed in dynamic conditions. PMID:23792043

  19. Comparative Effectiveness of Contextual and Structural Method of Teaching Vocabulary

    ERIC Educational Resources Information Center

    Behlol, Malik; Kaini, Mohammad Munir

    2011-01-01

    The study was conducted to find out effectiveness of contextual an, structural method of teaching vocabulary in English at secondary level. It was an experimental study in which the pretest posttest design was used. The population of the study was the students of secondary classes studying in Government secondary schools of Rawalpindi District.…

  20. The Structure of Women's Employment in Comparative Perspective

    ERIC Educational Resources Information Center

    Pettit, Becky; Hook, Jennifer Lynn

    2005-01-01

    In this paper we analyze social survey data from 19 countries using multi-level modeling methods in an effort to synthesize structural and institutional accounts for variation in women's employment. Observed demographic characteristics show much consistency in their relationship to women's employment across countries, yet there is significant…

  1. Comparative structural biology of eubacterial and archaeal oligosaccharyltransferases.

    PubMed

    Maita, Nobuo; Nyirenda, James; Igura, Mayumi; Kamishikiryo, Jun; Kohda, Daisuke

    2010-02-12

    Oligosaccharyltransferase (OST) catalyzes the transfer of an oligosaccharide from a lipid donor to an asparagine residue in nascent polypeptide chains. In the bacterium Campylobacter jejuni, a single-subunit membrane protein, PglB, catalyzes N-glycosylation. We report the 2.8 A resolution crystal structure of the C-terminal globular domain of PglB and its comparison with the previously determined structure from the archaeon Pyrococcus AglB. The two distantly related oligosaccharyltransferases share unexpected structural similarity beyond that expected from the sequence comparison. The common architecture of the putative catalytic sites revealed a new catalytic motif in PglB. Site-directed mutagenesis analyses confirmed the contribution of this motif to the catalytic function. Bacterial PglB and archaeal AglB constitute a protein family of the catalytic subunit of OST along with STT3 from eukaryotes. A structure-aided multiple sequence alignment of the STT3/PglB/AglB protein family revealed three types of OST catalytic centers. This novel classification will provide a useful framework for understanding the enzymatic properties of the OST enzymes from Eukarya, Archaea, and Bacteria. PMID:20007322

  2. Structural and Social Psychological Correlates of Prisonization: A Comparative Analysis.

    ERIC Educational Resources Information Center

    Thomas, Charles W.; And Others

    This study considers some aspects of "prisonization," or the process by which inmates adapt to confinement. Specifically, it further examines two ideas suggested by earlier studies. One is the belief that the structural characteristics of many prisons promote rather than inhibit assimilation into an inmate normative system that is opposed to the…

  3. An Adaptive Spectrally Weighted Structure Tensor Applied to Tensor Anisotropic Nonlinear Diffusion for Hyperspectral Images

    ERIC Educational Resources Information Center

    Marin Quintero, Maider J.

    2013-01-01

    The structure tensor for vector valued images is most often defined as the average of the scalar structure tensors in each band. The problem with this definition is the assumption that all bands provide the same amount of edge information giving them the same weights. As a result non-edge pixels can be reinforced and edges can be weakened…

  4. Comparing robust and physics-based sea surface temperature retrievals for high resolution, multi-spectral thermal sensors using one or multiple looks

    SciTech Connect

    Borel, C.C.; Clodius, W.B.; Szymanski, J.J.; Theiler, J.P.

    1999-04-04

    With the advent of multi-spectral thermal imagers such as EOS's ASTER high spatial resolution thermal imagery of the Earth's surface will soon be a reality. Previous high resolution sensors such as Landsat 5 had only one spectral channel in the thermal infrared and its utility to determine absolute sea surface temperatures was limited to 6-8 K for water warmer than 25 deg C. This inaccuracy resulted from insufficient knowledge of the atmospheric temperature and water vapor, inaccurate sensor calibration, and cooling effects of thin high cirrus clouds. The authors will present two studies of algorithms and compare their performance. The first algorithm they call robust since it retrieves sea surface temperatures accurately over a fairly wide range of atmospheric conditions using linear combinations of nadir and off-nadir brightness temperatures. The second they call physics-based because it relies on physics-based models of the atmosphere. It attempts to come up with a unique sea surface temperature which fits one set of atmospheric parameters.

  5. Importance of cross-correlated relaxation in the spectra of simple organofluorine compounds: Spectral complexity of A3B3X spin systems compared to ABX spin systems

    NASA Astrophysics Data System (ADS)

    Alemany, Lawrence B.; Malloy, Thomas B.; Nunes, Megan M.; Zaibaq, Nicholas G.

    2012-09-01

    In a continuation of our initial investigation of the complex 13C and 19F spectra exhibited by two simple organofluorine compounds, additional organofluorine compounds expected to exhibit a wide range of spectral complexity were studied. Spectral simulations are critical for analyzing the more complex spin systems, in particular, A3B3X and A6B3X. Cross-correlated relaxation is commonly observed; examples of 13Csbnd 19F cross-correlated relaxation are shown with the signals for each nucleus exhibiting unequal relaxation rates. Higher order effects are particularly noticeable in the spectra of perfluoro-t-butyl alcohol because of a large 4JFF value in the (13CF3)(12CF3)212COH isotopomer. The many additional transitions in an A3B3X spin system compared to an ABX spin system result in much more complex 19F (A3 and B3) and 13C (X) spectra, even though only three types of nuclei are involved in each spin system. The corresponding protio compounds typically constitute a much simpler A3M3X spin system because the long-range nJHH coupling (n ⩾ 4) is much smaller than the corresponding long-range nJFF coupling. Spectra previously published for ethane-1-13C (A3B3X) and hexafluoroethane-1-13C (A3M3X) are notable exceptions and are discussed.

  6. Prenatal diagnosis of a partial trisomy 13q (q14-->qter): phenotype, cytogenetics and molecular characterization by spectral karyotyping and array comparative genomic hybridization.

    PubMed

    Machado, I N; Heinrich, J K; Campanhol, C; Rodrigues-Peres, R M; Oliveira, F M; Barini, R

    2010-01-01

    Partial trisomy 13q is an uncommon chromosomal abnormality with variable phenotypic expression. We report prenatal diagnosis of partial trisomy 13q in a fetus with partial agenesis of the cerebellar vermis, partial agenesis of the corpus callosum, hydrops and polyhydramnios. G-banding karyotyping, spectral karyotyping and array comparative genomic hybridization (aCGH) analysis of fetal blood were performed. Cytogenetic analysis of fetal blood displayed 46,XX,add(4)(q28). The parental karyotypes were normal. A girl was delivered at 34 weeks gestation; she died within 2 h. Autopsy confirmed all the prenatal findings and also showed agenesis of the diaphragm. Spectral karyotyping identified the additional material's origin as chromosome 13. aCGH was carried out and showed amplification of distal regions of the long arm of chromosome 13 from region 13q14 to qter. This is the first report of a fetus with molecular characterization of a partial trisomy 13q (q14-->qter), present as a de novo unbalanced translocation at chromosome 4q. This case demonstrates the usefulness of molecular characterization of malformed fetuses for prenatal diagnosis and counseling. PMID:20391329

  7. Comparative study of novel versus conventional two-wavelength spectrophotometric methods for analysis of spectrally overlapping binary mixture.

    PubMed

    Lotfy, Hayam M; Hegazy, Maha A; Rezk, Mamdouh R; Omran, Yasmin Rostom

    2015-09-01

    Smart spectrophotometric methods have been applied and validated for the simultaneous determination of a binary mixture of chloramphenicol (CPL) and prednisolone acetate (PA) without preliminary separation. Two novel methods have been developed; the first method depends upon advanced absorbance subtraction (AAS), while the other method relies on advanced amplitude modulation (AAM); in addition to the well established dual wavelength (DW), ratio difference (RD) and constant center coupled with spectrum subtraction (CC-SS) methods. Accuracy, precision and linearity ranges of these methods were determined. Moreover, selectivity was assessed by analyzing synthetic mixtures of both drugs. The proposed methods were successfully applied to the assay of drugs in their pharmaceutical formulations. No interference was observed from common additives and the validity of the methods was tested. The obtained results have been statistically compared to that of official spectrophotometric methods to give a conclusion that there is no significant difference between the proposed methods and the official ones with respect to accuracy and precision. PMID:25909908

  8. Exponents of the spectral functions and dynamical structure factor of the 1D Lieb-Liniger Bose gas

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Sacramento, P. D.

    2016-06-01

    We study the (k , ω) -plane finite-energy line shape of the zero-temperature one-boson removal spectral function (ω < 0) , one-boson addition spectral function (ω > 0) , and charge dynamical structure factor (ω > 0) of the 1D Lieb-Liniger Bose gas with repulsive boson interaction c > 0. Our analysis of the problem focuses on the line shape at finite excitation energies in the vicinity of these functions spectrum upper (ω < 0) or lower (ω > 0) threshold. Specifically, we derive the exact momentum, interaction, and density dependences of the exponents controlling such a line shape in each of the N = 1 , 2 , 3 , … momentum subdomains k ∈ [(N - 1) 2 πn , N 2 πn ] . Here n = N / L is the boson density, N the boson number, and L the system length. In the thermodynamic limit considered in our study nearly all spectral weight of the dynamical correlation functions is for large values of n / c contained in the N = 1 momentum subdomain k ∈ [ 0 , 2 πn ] . As n / c decreases a small fraction of that weight is transferred to the remaining set of N = 2 , 3 , 4 , … momentum subdomains, particularly to the N = 2 subdomain. In the case of the momentum subdomain k ∈ [ 0 , 2 πn ] , our exact results agree with those of previous studies. For that subdomain the above exponents are plotted as a function of the momentum for several n / c values. Our derivation of the line shapes of the three dynamical correlation functions relies on the use of a simplified form of the pseudofermion dynamical theory of the fermionic 1D Hubbard model suitably modified in this paper for the 1D Bose gas.

  9. Comparability of red/near-infrared reflectance and NDVI based on the spectral response function between MODIS and 30 other satellite sensors using rice canopy spectra.

    PubMed

    Huang, Weijiao; Huang, Jingfeng; Wang, Xiuzhen; Wang, Fumin; Shi, Jingjing

    2013-01-01

    Long-term monitoring of regional and global environment changes often depends on the combined use of multi-source sensor data. The most widely used vegetation index is the normalized difference vegetation index (NDVI), which is a function of the red and near-infrared (NIR) spectral bands. The reflectance and NDVI data sets derived from different satellite sensor systems will not be directly comparable due to different spectral response functions (SRF), which has been recognized as one of the most important sources of uncertainty in the multi-sensor data analysis. This study quantified the influence of SRFs on the red and NIR reflectances and NDVI derived from 31 Earth observation satellite sensors. For this purpose, spectroradiometric measurements were performed for paddy rice grown under varied nitrogen levels and at different growth stages. The rice canopy reflectances were convoluted with the spectral response functions of various satellite instruments to simulate sensor-specific reflectances in the red and NIR channels. NDVI values were then calculated using the simulated red and NIR reflectances. The results showed that as compared to the Terra MODIS, the mean relative percentage difference (RPD) ranged from -12.67% to 36.30% for the red reflectance, -8.52% to -0.23% for the NIR reflectance, and -9.32% to 3.10% for the NDVI. The mean absolute percentage difference (APD) compared to the Terra MODIS ranged from 1.28% to 36.30% for the red reflectance, 0.84% to 8.71% for the NIR reflectance, and 0.59% to 9.32% for the NDVI. The lowest APD between MODIS and the other 30 satellite sensors was observed for Landsat5 TM for the red reflectance, CBERS02B CCD for the NIR reflectance and Landsat4 TM for the NDVI. In addition, the largest APD between MODIS and the other 30 satellite sensors was observed for IKONOS for the red reflectance, AVHRR1 onboard NOAA8 for the NIR reflectance and IKONOS for the NDVI. The results also indicated that AVHRRs onboard NOAA7-17 showed

  10. Comparability of Red/Near-Infrared Reflectance and NDVI Based on the Spectral Response Function between MODIS and 30 Other Satellite Sensors Using Rice Canopy Spectra

    PubMed Central

    Huang, Weijiao; Huang, Jingfeng; Wang, Xiuzhen; Wang, Fumin; Shi, Jingjing

    2013-01-01

    Long-term monitoring of regional and global environment changes often depends on the combined use of multi-source sensor data. The most widely used vegetation index is the normalized difference vegetation index (NDVI), which is a function of the red and near-infrared (NIR) spectral bands. The reflectance and NDVI data sets derived from different satellite sensor systems will not be directly comparable due to different spectral response functions (SRF), which has been recognized as one of the most important sources of uncertainty in the multi-sensor data analysis. This study quantified the influence of SRFs on the red and NIR reflectances and NDVI derived from 31 Earth observation satellite sensors. For this purpose, spectroradiometric measurements were performed for paddy rice grown under varied nitrogen levels and at different growth stages. The rice canopy reflectances were convoluted with the spectral response functions of various satellite instruments to simulate sensor-specific reflectances in the red and NIR channels. NDVI values were then calculated using the simulated red and NIR reflectances. The results showed that as compared to the Terra MODIS, the mean relative percentage difference (RPD) ranged from −12.67% to 36.30% for the red reflectance, −8.52% to −0.23% for the NIR reflectance, and −9.32% to 3.10% for the NDVI. The mean absolute percentage difference (APD) compared to the Terra MODIS ranged from 1.28% to 36.30% for the red reflectance, 0.84% to 8.71% for the NIR reflectance, and 0.59% to 9.32% for the NDVI. The lowest APD between MODIS and the other 30 satellite sensors was observed for Landsat5 TM for the red reflectance, CBERS02B CCD for the NIR reflectance and Landsat4 TM for the NDVI. In addition, the largest APD between MODIS and the other 30 satellite sensors was observed for IKONOS for the red reflectance, AVHRR1 onboard NOAA8 for the NIR reflectance and IKONOS for the NDVI. The results also indicated that AVHRRs onboard NOAA7