A comparative study of rhodopsin function in the great bowerbird (P tilonorhynchus nuchalis): Spectral tuning and light‐activated kinetics

PubMed Central

van Hazel, Ilke; Dungan, Sarah Z.; Hauser, Frances E.; Morrow, James M.; Endler, John A.

2016-01-01

Abstract 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

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. © 2016 The Protein Society.

Spectral changes induced by a phase modulator acting as a time lens

DOE Office of Scientific and Technical Information (OSTI.GOV)

Plansinis, B. W.; Donaldson, W. R.; Agrawal, G. P.

2015-07-06

We show both numerically and experimentally that a phase modulator, acting as a time lens in the Fourier-lens configuration, can induce spectral broadening, narrowing, or shifts, depending on the phase of the modulator cycle. These spectral effects depend on the maximum phase shift that can be imposed by the modulator. In our numerical simulations, pulse spectrum could be compressed by a factor of 8 for a 30 rad phase shift. Experimentally, spectral shifts over a 1.35 nm range and spectral narrowing and broadening by a factor of 2 were demonstrated using a lithium niobate phase modulator with a maximum phasemore » shift of 16 rad at a 10 GHz modulation frequency. All spectral changes were accomplished without employing optical nonlinear effects such as self- or cross-phase modulation.« less

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.

Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron

NASA Astrophysics Data System (ADS)

Nery, Jean Paul; Allen, Philip B.; Antonius, Gabriel; Reining, Lucia; Miglio, Anna; Gonze, Xavier

2018-03-01

The electron-phonon interaction causes thermal and zero-point motion shifts of electron quasiparticle (QP) energies ɛk(T ) . Other consequences of interactions, visible in angle-resolved photoemission spectroscopy (ARPES) experiments, are broadening of QP peaks and appearance of sidebands, contained in the electron spectral function A (k ,ω ) =-ℑ m GR(k ,ω ) /π , where GR is the retarded Green's function. Electronic structure codes (e.g., using density-functional theory) are now available that compute the shifts and start to address broadening and sidebands. Here we consider MgO and LiF, and determine their nonadiabatic Migdal self-energy. The spectral function obtained from the Dyson equation makes errors in the weight and energy of the QP peak and the position and weight of the phonon-induced sidebands. Only one phonon satellite appears, with an unphysically large energy difference (larger than the highest phonon energy) with respect to the QP peak. By contrast, the spectral function from a cumulant treatment of the same self-energy is physically better, giving a quite accurate QP energy and several satellites approximately spaced by the LO phonon energy. In particular, the positions of the QP peak and first satellite agree closely with those found for the Fröhlich Hamiltonian by Mishchenko et al. [Phys. Rev. B 62, 6317 (2000), 10.1103/PhysRevB.62.6317] using diagrammatic Monte Carlo. We provide a detailed comparison between the first-principles MgO and LiF results and those of the Fröhlich Hamiltonian. Such an analysis applies widely to materials with infrared(IR)-active phonons.

A differential detection scheme of spectral shifts in long-period fiber gratings

NASA Astrophysics Data System (ADS)

Zhelyazkova, Katerina; Eftimov, Tinko; Smietana, Mateusz; Bock, Wojtek

2010-10-01

In this work we present an analysis of the response of a compact, simple and inexpensive optoelectronic sensor system intended to detect spectral shifts of a long-period fiber grating (LPG). The system makes use of a diffraction grating and a couple of receiving optical fibers that pick up signals at two different wavelengths. This differential detection system provides the same useful information from an LPG-based sensor as with a conventional laboratory system using optical spectrum analyzers for monitoring the minimum offset of LPG. The design of the fiber detection pair as a function of the parameters of the dispersion grating, the pick-up fiber and the LPG parameters, is presented in detail. Simulation of the detection system responses is presented using real from spectral shifts in nano-coated LPGs caused by the evaporation of various liquids such as water, ethanol and acetone, which are examples of corrosive, flammable and hazardous substances. Fiber optic sensors with similar detection can find applications in structural health monitoring for moisture detection, monitoring the spillage of toxic and flammable substances in industry etc.

Perceptual Adaptation of Voice Gender Discrimination with Spectrally Shifted Vowels

ERIC Educational Resources Information Center

Li, Tianhao; Fu, Qian-Jie

2011-01-01

Purpose: To determine whether perceptual adaptation improves voice gender discrimination of spectrally shifted vowels and, if so, which acoustic cues contribute to the improvement. Method: Voice gender discrimination was measured for 10 normal-hearing subjects, during 5 days of adaptation to spectrally shifted vowels, produced by processing the…

Investigation of mixed ionospheric and fround scatter using high spectral content pulse sequences for SuperDARN radars

NASA Astrophysics Data System (ADS)

Spaleta, J.; Bristow, W. A.

2013-12-01

SuperDARN radars estimate plasma drift velocities from the Doppler shift observed on signals scattered from field-aligned density irregularities. These field-aligned density irregularities are embedded in the ionospheric plasma, and move at the same velocity as background plasma. As a result, the electromagnetic signals scattered from these irregularities are Doppler shifted. The SuperDARN radars routinely observe ionospheric scatter Doppler velocities ranging from zero to thousands of meters per second. The radars determine the Doppler shift of the ionospheric scatter by linear fitting the phase of an auto correlation function derived from the radar pulse sequence. The phase fitting technique employed assumes a single dominant velocity is present in the signal. In addition, the SuperDARN radars can also observe signals scattered from the ground. Once refracted by the ionospheric plasma and bent earthward, the radar pulses eventually reach the ground where they scatter, sending signal back to the radar. This ground-scatter signal is characterized as having a low Doppler shift and low spectral width. The SuperDARN radars are able to use these signal characteristics to discriminate the ground scatter signal from the ionospheric scatter, when regions of ground scatter are isolated from ionospheric scatter returns. The phase fitting assumption of a single dominate target can easily be violated at ranges where ground and ionospheric scatter mix together. Due to the wide elevation angle extent of the SuperDARN radar design, ground and ionospheric scatter from different propagation paths can mix together in the return signal. When this happens, the fitting algorithm attempts to fit to the dominant signal, and if ground scatter dominates, information about the ionospheric scatter at that range can be unresolved. One way to address the mix scatter situation is to use a high spectral content pulse sequence together with a spectral estimation technique. The high spectral content pulse sequence consists of twice as many pulses and five times as many distinct lags over which to calculate the auto correlation function. This additional spectral information makes it possible to use spectral estimator techniques, that are robust against aperiodic time series data, to calculate the existence of multiple scatter modes in the signal. A comparison of the operation of the traditional SuperDARN pulse sequence and high spectral content pulse sequence will be presented for both synthetic examples and real SuperDARN radar mixed scatter situation.

Picosecond time-resolved measurements of dense plasma line shifts

DOE PAGES

Stillman, C. R.; Nilson, P. M.; Ivancic, S. T.; ...

2017-06-13

Picosecond time-resolved x-ray spectroscopy is used to measure the spectral line shift of the 1s2p–1s 2 transition in He-like Al ions as a function of the instantaneous plasma conditions. The plasma temperature and density are inferred from the Al He α complex using a nonlocal-thermodynamic-equilibrium atomic physics model. The experimental spectra show a linearly increasing red shift for electron densities of 1 to 5 × 10 23 cm –3. Furthermore, the measured line shifts are broadly consistent with a generalized analytic line-shift model based on calculations of a self-consistent field ion sphere model.

Picosecond time-resolved measurements of dense plasma line shifts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stillman, C. R.; Nilson, P. M.; Ivancic, S. T.

Picosecond time-resolved x-ray spectroscopy is used to measure the spectral line shift of the 1s2p–1s 2 transition in He-like Al ions as a function of the instantaneous plasma conditions. The plasma temperature and density are inferred from the Al He α complex using a nonlocal-thermodynamic-equilibrium atomic physics model. The experimental spectra show a linearly increasing red shift for electron densities of 1 to 5 × 10 23 cm –3. Furthermore, the measured line shifts are broadly consistent with a generalized analytic line-shift model based on calculations of a self-consistent field ion sphere model.

Interference between extrinsic and intrinsic losses in x-ray absorption fine structure

NASA Astrophysics Data System (ADS)

Campbell, L.; Hedin, L.; Rehr, J. J.; Bardyszewski, W.

2002-02-01

The interference between extrinsic and intrinsic losses in x-ray absorption fine structure (XAFS) is treated within a Green's-function formalism, without explicit reference to final states. The approach makes use of a quasiboson representation of excitations and perturbation theory in the interaction potential between electrons and quasibosons. These losses lead to an asymmetric broadening of the main quasiparticle peak plus an energy-dependent satellite in the spectral function. The x-ray absorption spectra (XAS) is then given by a convolution of an effective spectral function over a one-electron cross section. It is shown that extrinsic and intrinsic losses tend to cancel near excitation thresholds, and correspondingly, the strength in the main peak increases. At high energies, the theory crosses over to the sudden approximation. These results thus explain the observed weakness of multielectron excitations in XAS. The approach is applied to estimate the many-body corrections to XAFS, beyond the usual mean-free path, using a phasor summation over the spectral function. The asymmetry of the spectral function gives rise to an additional many-body phase shift in the XAFS formula.

Transient photothermal spectra of plasmonic nanobubbles.

PubMed

Lukianova-Hleb, Ekaterina Y; Sassaroli, Elisabetta; Jones, Alicia; Lapotko, Dmitri O

2012-03-13

The photothermal efficacy of near-infrared gold nanoparticles (NP), nanoshells, and nanorods was studied under pulsed high-energy optical excitation in plasmonic nanobubble (PNB) mode as a function of the wavelength and duration of the excitation laser pulse. PNBs, transient vapor nanobubbles, were generated around individual and clustered overheated NPs in water and living cells. Transient PNBs showed two photothermal features not previously observed for NPs: the narrowing of the spectral peaks to 1 nm and the strong dependence of the photothermal efficacy upon the duration of the laser pulse. Narrow red-shifted (relative to those of NPs) near-infrared spectral peaks were observed for 70 ps excitation laser pulses, while longer sub- and nanosecond pulses completely suppressed near-infrared peaks and blue shifted the PNB generation to the visual range. Thus, PNBs can provide superior spectral selectivity over gold NPs under specific optical excitation conditions.

High-Energy Density science at the Linac Coherent Light Source

NASA Astrophysics Data System (ADS)

Glenzer, S. H.; Fletcher, L. B.; Hastings, J. B.

2016-03-01

The Matter in Extreme Conditions end station at the Linac Coherent Light Source holds great promise for novel pump-probe experiments to make new discoveries in high- energy density science. In recent experiments we have demonstrated the first spectrally- resolved measurements of plasmons using a seeded 8-keV x-ray laser beam. Forward x-ray Thomson scattering spectra from isochorically heated solid aluminum show a well-resolved plasmon feature that is down-shifted in energy by 19 eV from the incident 8 keV elastic scattering feature. In this spectral range, the simultaneously measured backscatter spectrum shows no spectral features indicating observation of collective plasmon oscillations on a scattering length comparable to the screening length. This technique is a prerequisite for Thomson scattering measurements in compressed matter where the plasmon shift is a sensitive function of the free electron density and where the plasmon intensity provides information on temperature.

High-Energy Density science at the Linac Coherent Light Source

DOE PAGES

Glenzer, S. H.; Fletcher, L. B.; Hastings, J. B.

2016-04-01

The Matter in Extreme Conditions end station at the Linac Coherent Light Source holds great promise for novel pump-probe experiments to make new discoveries in high- energy density science. Recently, our experiments have demonstrated the first spectrally- resolved measurements of plasmons using a seeded 8-keV x-ray laser beam. Forward x-ray Thomson scattering spectra from isochorically heated solid aluminum show a well-resolved plasmon feature that is down-shifted in energy by 19 eV from the incident 8 keV elastic scattering feature. In this spectral range, the simultaneously measured backscatter spectrum shows no spectral features indicating observation of collective plasmon oscillations on amore » scattering length comparable to the screening length. Moreover, this technique is a prerequisite for Thomson scattering measurements in compressed matter where the plasmon shift is a sensitive function of the free electron density and where the plasmon intensity provides information on temperature.« less

Applying time-frequency analysis to assess cerebral autoregulation during hypercapnia.

PubMed

Placek, Michał M; Wachel, Paweł; Iskander, D Robert; Smielewski, Peter; Uryga, Agnieszka; Mielczarek, Arkadiusz; Szczepański, Tomasz A; Kasprowicz, Magdalena

2017-01-01

Classic methods for assessing cerebral autoregulation involve a transfer function analysis performed using the Fourier transform to quantify relationship between fluctuations in arterial blood pressure (ABP) and cerebral blood flow velocity (CBFV). This approach usually assumes the signals and the system to be stationary. Such an presumption is restrictive and may lead to unreliable results. The aim of this study is to present an alternative method that accounts for intrinsic non-stationarity of cerebral autoregulation and the signals used for its assessment. Continuous recording of CBFV, ABP, ECG, and end-tidal CO2 were performed in 50 young volunteers during normocapnia and hypercapnia. Hypercapnia served as a surrogate of the cerebral autoregulation impairment. Fluctuations in ABP, CBFV, and phase shift between them were tested for stationarity using sphericity based test. The Zhao-Atlas-Marks distribution was utilized to estimate the time-frequency coherence (TFCoh) and phase shift (TFPS) between ABP and CBFV in three frequency ranges: 0.02-0.07 Hz (VLF), 0.07-0.20 Hz (LF), and 0.20-0.35 Hz (HF). TFPS was estimated in regions locally validated by statistically justified value of TFCoh. The comparison of TFPS with spectral phase shift determined using transfer function approach was performed. The hypothesis of stationarity for ABP and CBFV fluctuations and the phase shift was rejected. Reduced TFPS was associated with hypercapnia in the VLF and the LF but not in the HF. Spectral phase shift was also decreased during hypercapnia in the VLF and the LF but increased in the HF. Time-frequency method led to lower dispersion of phase estimates than the spectral method, mainly during normocapnia in the VLF and the LF. The time-frequency method performed no worse than the classic one and yet may offer benefits from lower dispersion of phase shift as well as a more in-depth insight into the dynamic nature of cerebral autoregulation.

Effect of the atmosphere on the color coordinates of sunlit surfaces

NASA Astrophysics Data System (ADS)

Willers, Cornelius J.; Viljoen, Johan W.

2016-02-01

Aerosol attenuation in the atmosphere has a relatively weak spectral variation compared to molecular absorption. However, the solar spectral irradiance differs considerably for the sun at high zenith angles versus the sun at low zenith angles. The perceived color of a sunlit object depends on the object's spectral reflectivity as well as the irradiance spectrum. The color coordinates of the sunlit object, hence also the color balance in a scene, shift with changes in the solar zenith angle. The work reported here does not claim accurate color measurement. With proper calibration mobile phones may provide reasonably accurate color measurement, but the mobile phones used for taking these pictures and videos are not scientific instruments and were not calibrated. The focus here is on the relative shift of the observed colors, rather than absolute color. The work in this paper entails the theoretical analysis of color coordinates of surfaces and how they change for different colored surfaces. Then follows three separate investigations: (1) Analysis of a number of detailed atmospheric radiative transfer code (Modtran) runs to show from the theory how color coordinates should change. (2) Analysis of a still image showing how the colors of two sample surfaces vary between sunlit and shaded areas. (3) Time lapse video recordings showing how the color coordinates of a few surfaces change as a function of time of day. Both the theoretical and experimental work shows distinct shifts in color as function of atmospheric conditions. The Modtran simulations demonstrate the effect from clear atmospheric conditions (no aerosol) to low visibility conditions (5 km visibility). Even under moderate atmospheric conditions the effect was surprisingly large. The experimental work indicated significant shifts during the diurnal cycle.

Comparison of experimental and DFT-calculated NMR chemical shifts of 2-amino and 2-hydroxyl substituted phenyl benzimidazoles, benzoxazoles and benzothiazoles in four solvents using the IEF-PCM solvation model.

PubMed

Pierens, Gregory K; Venkatachalam, T K; Reutens, David C

2016-04-01

A comparative study of experimental and calculated NMR chemical shifts of six compounds comprising 2-amino and 2-hydroxy phenyl benzoxazoles/benzothiazoles/benzimidazoles in four solvents is reported. The benzimidazoles showed interesting spectral characteristics, which are discussed. The proton and carbon chemical shifts were similar for all solvents. The largest chemical shift deviations were observed in benzene. The chemical shifts were calculated with density functional theory using a suite of four functionals and basis set combinations. The calculated chemical shifts revealed a good match to the experimentally observed values in most of the solvents. The mean absolute error was used as the primary metric. The use of an additional metric is suggested, which is based on the order of chemical shifts. The DP4 probability measures were also used to compare the experimental and calculated chemical shifts for each compound in the four solvents. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Experimental verification of the spectral shift between near- and far-field peak intensities of plasmonic infrared nanoantennas.

PubMed

Alonso-González, P; Albella, P; Neubrech, F; Huck, C; Chen, J; Golmar, F; Casanova, F; Hueso, L E; Pucci, A; Aizpurua, J; Hillenbrand, R

2013-05-17

Theory predicts a distinct spectral shift between the near- and far-field optical response of plasmonic antennas. Here we combine near-field optical microscopy and far-field spectroscopy of individual infrared-resonant nanoantennas to verify experimentally this spectral shift. Numerical calculations corroborate our experimental results. We furthermore discuss the implications of this effect in surface-enhanced infrared spectroscopy.

Adaptation by normal listeners to upward spectral shifts of speech: implications for cochlear implants.

PubMed

Rosen, S; Faulkner, A; Wilkinson, L

1999-12-01

Multi-channel cochlear implants typically present spectral information to the wrong "place" in the auditory nerve array, because electrodes can only be inserted partway into the cochlea. Although such spectral shifts are known to cause large immediate decrements in performance in simulations, the extent to which listeners can adapt to such shifts has yet to be investigated. Here, the effects of a four-channel implant in normal listeners have been simulated, and performance tested with unshifted spectral information and with the equivalent of a 6.5-mm basalward shift on the basilar membrane (1.3-2.9 octaves, depending on frequency). As expected, the unshifted simulation led to relatively high levels of mean performance (e.g., 64% of words in sentences correctly identified) whereas the shifted simulation led to very poor results (e.g., 1% of words). However, after just nine 20-min sessions of connected discourse tracking with the shifted simulation, performance improved significantly for the identification of intervocalic consonants, medial vowels in monosyllables, and words in sentences (30% of words). Also, listeners were able to track connected discourse of shifted signals without lipreading at rates up to 40 words per minute. Although we do not know if complete adaptation to the shifted signals is possible, it is clear that short-term experiments seriously exaggerate the long-term consequences of such spectral shifts.

Quantifying seasonal dynamics of canopy structure and function using inexpensive narrowband spectral radiometers

NASA Astrophysics Data System (ADS)

Vierling, L. A.; Garrity, S. R.; Campbell, G.; Coops, N. C.; Eitel, J.; Gamon, J. A.; Hilker, T.; Krofcheck, D. J.; Litvak, M. E.; Naupari, J. A.; Richardson, A. D.; Sonnentag, O.; van Leeuwen, M.

2011-12-01

Increasing the spatial and temporal density of automated environmental sensing networks is necessary to quantify shifts in plant structure (e.g., leaf area index) and function (e.g., photosynthesis). Improving detection sensitivity can facilitate a mechanistic understanding by better linking plant processes to environmental change. Spectral radiometer measurements can be highly useful for tracking plant structure and function from diurnal to seasonal time scales and calibrating and validating satellite- and aircraft-based spectral measurements. However, dense ground networks of such instruments are challenging to establish due to the cost and complexity of automated instrument deployment. We therefore developed simple to operate, lightweight and inexpensive narrowband (~10nm bandwidth) spectral instruments capable of continuously measuring four to six discrete bands that have proven capacity to describe key physiological processes and structural features of plant canopies. These bands are centered at 530, 570, 675, 800, 880, and 970 nm to enable calculation of the physiological reflectance index (PRI), normalized difference vegetation index (NDVI), green NDVI (gNDVI), and water band index (WBI) collected above and within vegetation canopies. To date, measurements have been collected above grassland, semi-arid shrub steppe, piñon-juniper woodland, dense conifer forest, mixed deciduous-conifer forest, and cropland canopies, with additional measurements collected along vertical transects through a temperate conifer rainforest. Findings from this work indicate not only that key shifts in plant phenology, physiology, and structure can be captured using such instruments, but that the temporally dense nature of the measurements can help to disentangle heretofore unreported complexities of simultaneous phenological and structural change on canopy reflectance.

Molecular Mechanism of Wide Photoabsorption Spectral Shifts of Color Variants of Human Cellular Retinol Binding Protein II.

PubMed

Cheng, Cheng; Kamiya, Motoshi; Uchida, Yoshihiro; Hayashi, Shigehiko

2015-10-21

Color variants of human cellular retinol binding protein II (hCRBPII) created by protein engineering were recently shown to exhibit anomalously wide photoabsorption spectral shifts over ∼200 nm across the visible region. The remarkable phenomenon provides a unique opportunity to gain insight into the molecular basis of the color tuning of retinal binding proteins for understanding of color vision as well as for engineering of novel color variants of retinal binding photoreceptor proteins employed in optogenetics. Here, we report a theoretical investigation of the molecular mechanism underlying the anomalously wide spectral shifts of the color variants of hCRBPII. Computational modeling of the color variants with hybrid molecular simulations of free energy geometry optimization succeeded in reproducing the experimentally observed wide spectral shifts, and revealed that protein flexibility, through which the active site structure of the protein and bound water molecules is altered by remote mutations, plays a significant role in inducing the large spectral shifts.

Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding

DOE PAGES

Zhang, Hong; Zapol, Peter; Dixon, David A.; ...

2015-11-17

The Shift-and-invert parallel spectral transformations (SIPs), a computational approach to solve sparse eigenvalue problems, is developed for massively parallel architectures with exceptional parallel scalability and robustness. The capabilities of SIPs are demonstrated by diagonalization of density-functional based tight-binding (DFTB) Hamiltonian and overlap matrices for single-wall metallic carbon nanotubes, diamond nanowires, and bulk diamond crystals. The largest (smallest) example studied is a 128,000 (2000) atom nanotube for which ~330,000 (~5600) eigenvalues and eigenfunctions are obtained in ~190 (~5) seconds when parallelized over 266,144 (16,384) Blue Gene/Q cores. Weak scaling and strong scaling of SIPs are analyzed and the performance of SIPsmore » is compared with other novel methods. Different matrix ordering methods are investigated to reduce the cost of the factorization step, which dominates the time-to-solution at the strong scaling limit. As a result, a parallel implementation of assembling the density matrix from the distributed eigenvectors is demonstrated.« less

Chemoselective Alteration of Fluorophore Scaffolds as a Strategy for the Development of Ratiometric Chemodosimeters.

PubMed

Zhou, Xinqi; Lesiak, Lauren; Lai, Rui; Beck, Jon R; Zhao, Jia; Elowsky, Christian G; Li, Hui; Stains, Cliff I

2017-04-03

Ratiometric sensors generally couple binding events or chemical reactions at a distal site to changes in the fluorescence of a core fluorophore scaffold. However, such approaches are often hindered by spectral overlap of the product and reactant species. We provide a strategy to design ratiometric sensors that display dramatic spectral shifts by leveraging the chemoselective reactivity of novel functional groups inserted within fluorophore scaffolds. As a proof-of-principle, fluorophores containing a borinate (RF 620 ) or silanediol (SiOH2R) functionality at the bridging position of the xanthene ring system are developed as endogenous H 2 O 2 sensors. Both these fluorophores display far-red to near-infrared excitation and emission prior to reaction. Upon oxidation by H 2 O 2 both sensors are chemically converted to tetramethylrhodamine, producing significant (≥66 nm) blue-shifts in excitation and emission maxima. This work provides a new concept for the development of ratiometric probes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Hong; Zapol, Peter; Dixon, David A.

The Shift-and-invert parallel spectral transformations (SIPs), a computational approach to solve sparse eigenvalue problems, is developed for massively parallel architectures with exceptional parallel scalability and robustness. The capabilities of SIPs are demonstrated by diagonalization of density-functional based tight-binding (DFTB) Hamiltonian and overlap matrices for single-wall metallic carbon nanotubes, diamond nanowires, and bulk diamond crystals. The largest (smallest) example studied is a 128,000 (2000) atom nanotube for which ~330,000 (~5600) eigenvalues and eigenfunctions are obtained in ~190 (~5) seconds when parallelized over 266,144 (16,384) Blue Gene/Q cores. Weak scaling and strong scaling of SIPs are analyzed and the performance of SIPsmore » is compared with other novel methods. Different matrix ordering methods are investigated to reduce the cost of the factorization step, which dominates the time-to-solution at the strong scaling limit. As a result, a parallel implementation of assembling the density matrix from the distributed eigenvectors is demonstrated.« less

Spatial variability of oceanic phycoerythrin spectral types derived from airborne laser-induced fluorescence emissions

NASA Astrophysics Data System (ADS)

Hoge, Frank E.; Wright, C. Wayne; Kana, Todd M.; Swift, Robert N.; Yungel, James K.

1998-07-01

We report spatial variability of oceanic phycoerythrin spectral types detected by means of a blue spectral shift in airborne laser-induced fluorescence emission. The blue shift of the phycoerythrobilin fluorescence is known from laboratory studies to be induced by phycourobilin chromophore substitution at phycoerythrobilin chromophore sites in some strains of phycoerythrin-containing marine cyanobacteria. The airborne 532-nm laser-induced phycoerythrin fluorescence of the upper oceanic volume showed distinct segregation of cyanobacterial chromophore types in a flight transect from coastal water to the Sargasso Sea in the western North Atlantic. High phycourobilin levels were restricted to the oceanic (oligotrophic) end of the flight transect, in agreement with historical ship findings. These remotely observed phycoerythrin spectral fluorescence shifts have the potential to permit rapid, wide-area studies of the spatial variability of spectrally distinct cyanobacteria, especially across interfacial regions of coastal and oceanic water masses. Airborne laser-induced phytoplankton spectral fluorescence observations also further the development of satellite algorithms for passive detection of phytoplankton pigments. Optical modifications to the NASA Airborne Oceanographic Lidar are briefly described that permitted observation of the fluorescence spectral shifts.

Silicon microring resonators

NASA Astrophysics Data System (ADS)

Tan, Ying; Dai, Daoxin

2018-05-01

Silicon microring resonators (MRRs) are very popular for many applications because of the advantages of footprint compactness, easy scalability, and functional versatility. Ultra-compact silicon MRRs with box-like spectral responses are realized with a very large free-spectral range (FSR) by introducing bent directional couplers. The measured box-like spectral response has an FSR of >30 nm. The permanent wavelength-alignment techniques for MRRs are also presented, including the laser-induced local-oxidation technique as well as the local-etching technique. With these techniques, one can control finely the permanent wavelength shift, which is also large enough to compensate the random wavelength variation due to the random fabrication errors.

Perceptual adaptation of voice gender discrimination with spectrally shifted vowels.

PubMed

Li, Tianhao; Fu, Qian-Jie

2011-08-01

To determine whether perceptual adaptation improves voice gender discrimination of spectrally shifted vowels and, if so, which acoustic cues contribute to the improvement. Voice gender discrimination was measured for 10 normal-hearing subjects, during 5 days of adaptation to spectrally shifted vowels, produced by processing the speech of 5 male and 5 female talkers with 16-channel sine-wave vocoders. The subjects were randomly divided into 2 groups; one subjected to 50-Hz, and the other to 200-Hz, temporal envelope cutoff frequencies. No preview or feedback was provided. There was significant adaptation in voice gender discrimination with the 200-Hz cutoff frequency, but significant improvement was observed only for 3 female talkers with F(0) > 180 Hz and 3 male talkers with F(0) < 170 Hz. There was no significant adaptation with the 50-Hz cutoff frequency. Temporal envelope cues are important for voice gender discrimination under spectral shift conditions with perceptual adaptation, but spectral shift may limit the exclusive use of spectral information and/or the use of formant structure on voice gender discrimination. The results have implications for cochlear implant users and for understanding voice gender discrimination.

Perceptual Adaptation of Voice Gender Discrimination with Spectrally Shifted Vowels

PubMed Central

Li, Tianhao; Fu, Qian-Jie

2013-01-01

Purpose To determine whether perceptual adaptation improves voice gender discrimination of spectrally shifted vowels and, if so, which acoustic cues contribute to the improvement. Method Voice gender discrimination was measured for 10 normal-hearing subjects, during 5 days of adaptation to spectrally shifted vowels, produced by processing the speech of 5 male and 5 female talkers with 16-channel sine-wave vocoders. The subjects were randomly divided into 2 groups; one subjected to 50-Hz, and the other to 200-Hz, temporal envelope cutoff frequencies. No preview or feedback was provided. Results: There was significant adaptation in voice gender discrimination with the 200-Hz cutoff frequency, but significant improvement was observed only for 3 female talkers with F0 > 180 Hz and 3 male talkers with F0 < 170 Hz. There was no significant adaptation with the 50-Hz cutoff frequency. Conclusions Temporal envelope cues are important for voice gender discrimination under spectral shift conditions with perceptual adaptation, but spectral shift may limit the exclusive use of spectral information and/or the use of formant structure on voice gender discrimination. The results have implications for cochlear implant users and for understanding voice gender discrimination. PMID:21173392

Thermal noise limit for ultra-high vacuum noncontact atomic force microscopy

PubMed Central

Lübbe, Jannis; Temmen, Matthias; Rode, Sebastian; Rahe, Philipp; Kühnle, Angelika

2013-01-01

Summary The noise of the frequency-shift signal Δf in noncontact atomic force microscopy (NC-AFM) consists of cantilever thermal noise, tip–surface-interaction noise and instrumental noise from the detection and signal processing systems. We investigate how the displacement-noise spectral density d z at the input of the frequency demodulator propagates to the frequency-shift-noise spectral density d Δ f at the demodulator output in dependence of cantilever properties and settings of the signal processing electronics in the limit of a negligible tip–surface interaction and a measurement under ultrahigh-vacuum conditions. For a quantification of the noise figures, we calibrate the cantilever displacement signal and determine the transfer function of the signal-processing electronics. From the transfer function and the measured d z, we predict d Δ f for specific filter settings, a given level of detection-system noise spectral density d z ds and the cantilever-thermal-noise spectral density d z th. We find an excellent agreement between the calculated and measured values for d Δ f. Furthermore, we demonstrate that thermal noise in d Δ f, defining the ultimate limit in NC-AFM signal detection, can be kept low by a proper choice of the cantilever whereby its Q-factor should be given most attention. A system with a low-noise signal detection and a suitable cantilever, operated with appropriate filter and feedback-loop settings allows room temperature NC-AFM measurements at a low thermal-noise limit with a significant bandwidth. PMID:23400758

Thermal noise limit for ultra-high vacuum noncontact atomic force microscopy.

PubMed

Lübbe, Jannis; Temmen, Matthias; Rode, Sebastian; Rahe, Philipp; Kühnle, Angelika; Reichling, Michael

2013-01-01

The noise of the frequency-shift signal Δf in noncontact atomic force microscopy (NC-AFM) consists of cantilever thermal noise, tip-surface-interaction noise and instrumental noise from the detection and signal processing systems. We investigate how the displacement-noise spectral density d(z) at the input of the frequency demodulator propagates to the frequency-shift-noise spectral density d(Δ) (f) at the demodulator output in dependence of cantilever properties and settings of the signal processing electronics in the limit of a negligible tip-surface interaction and a measurement under ultrahigh-vacuum conditions. For a quantification of the noise figures, we calibrate the cantilever displacement signal and determine the transfer function of the signal-processing electronics. From the transfer function and the measured d(z), we predict d(Δ) (f) for specific filter settings, a given level of detection-system noise spectral density d(z) (ds) and the cantilever-thermal-noise spectral density d(z) (th). We find an excellent agreement between the calculated and measured values for d(Δ) (f). Furthermore, we demonstrate that thermal noise in d(Δ) (f), defining the ultimate limit in NC-AFM signal detection, can be kept low by a proper choice of the cantilever whereby its Q-factor should be given most attention. A system with a low-noise signal detection and a suitable cantilever, operated with appropriate filter and feedback-loop settings allows room temperature NC-AFM measurements at a low thermal-noise limit with a significant bandwidth.

Comparing live to recorded speech in training the perception of spectrally shifted noise-vocoded speech.

PubMed

Faulkner, Andrew; Rosen, Stuart; Green, Tim

2012-10-01

Two experimental groups were trained for 2 h with live or recorded speech that was noise-vocoded and spectrally shifted and was from the same text and talker. These two groups showed equivalent improvements in performance for vocoded and shifted sentences, and the group trained with recorded speech showed consistently greater improvements than untrained controls. Another group trained with unshifted noise-vocoded speech improved no more than untrained controls. Computer-based training thus appears at least as effective as labor-intensive live-voice training for improving the perception of spectrally shifted noise-vocoded speech, and by implication, for training of users of cochlear implants.

Fluorescence spectral shift of QD films with electron injection: Dependence on counterion proximity

NASA Astrophysics Data System (ADS)

Lu, Meilin; Li, Bo; Zhang, Yaxin; Liu, Weilong; Yang, Yanqiang; Wang, Yuxiao; Yang, Qingxin

2017-05-01

Due to the promising application of quantum dot (QD) films in solar cells, LEDs and environmental detectors, the fluorescence of charged QD films has achieved much attention during recent years. In this work, we observe the spectral shift of photoluminescence (PL) in charged CdSe/ZnS QD films controlled by electrochemical potential. The spectral center under negative bias changes from red-shift to blue-shift while introducing smaller inorganic counterions (potassium ions) into the electrolyte. This repeatable effect is attributed to the enhanced electron injection with smaller cations and the electronic perturbations of QD luminescence by these excess charges.

Dense grid sibling frames with linear phase filters

NASA Astrophysics Data System (ADS)

Abdelnour, Farras

2013-09-01

We introduce new 5-band dyadic sibling frames with dense time-frequency grid. Given a lowpass filter satisfying certain conditions, the remaining filters are obtained using spectral factorization. The analysis and synthesis filterbanks share the same lowpass and bandpass filters but have different and oversampled highpass filters. This leads to wavelets approximating shift-invariance. The filters are FIR, have linear phase, and the resulting wavelets have vanishing moments. The filters are designed using spectral factorization method. The proposed method leads to smooth limit functions with higher approximation order, and computationally stable filterbanks.

A Legendre tau-spectral method for solving time-fractional heat equation with nonlocal conditions.

PubMed

Bhrawy, A H; Alghamdi, M A

2014-01-01

We develop the tau-spectral method to solve the time-fractional heat equation (T-FHE) with nonlocal condition. In order to achieve highly accurate solution of this problem, the operational matrix of fractional integration (described in the Riemann-Liouville sense) for shifted Legendre polynomials is investigated in conjunction with tau-spectral scheme and the Legendre operational polynomials are used as the base function. The main advantage in using the presented scheme is that it converts the T-FHE with nonlocal condition to a system of algebraic equations that simplifies the problem. For demonstrating the validity and applicability of the developed spectral scheme, two numerical examples are presented. The logarithmic graphs of the maximum absolute errors is presented to achieve the exponential convergence of the proposed method. Comparing between our spectral method and other methods ensures that our method is more accurate than those solved similar problem.

A Legendre tau-Spectral Method for Solving Time-Fractional Heat Equation with Nonlocal Conditions

PubMed Central

Bhrawy, A. H.; Alghamdi, M. A.

2014-01-01

We develop the tau-spectral method to solve the time-fractional heat equation (T-FHE) with nonlocal condition. In order to achieve highly accurate solution of this problem, the operational matrix of fractional integration (described in the Riemann-Liouville sense) for shifted Legendre polynomials is investigated in conjunction with tau-spectral scheme and the Legendre operational polynomials are used as the base function. The main advantage in using the presented scheme is that it converts the T-FHE with nonlocal condition to a system of algebraic equations that simplifies the problem. For demonstrating the validity and applicability of the developed spectral scheme, two numerical examples are presented. The logarithmic graphs of the maximum absolute errors is presented to achieve the exponential convergence of the proposed method. Comparing between our spectral method and other methods ensures that our method is more accurate than those solved similar problem. PMID:25057507

Validation of Spectral Analysis as a Noninvasive Tool to Assess Autonomic Regulation of Cardiovascular Function

NASA Technical Reports Server (NTRS)

Knapp, Charles F.; Evans, Joyce M.

1996-01-01

A major focus of our program has been to develop a sensitive noninvasive procedure to quantify early weightlessness-induced changes in cardiovascular function or potential dysfunction. Forty studies of healthy young volunteers (10 men and 10 women, each studied twice) were conducted to determine changes in the sympatho-vagal balance of autonomic control of cardiovascular regulation during graded headward and footward blood volume shifts. Changes in sympatho-vagal balance were classified by changes in the mean levels and spectral content of cardiovascular variables and verified by changes in circulating levels of catecholamines and pancreatic polypeptide. Possible shifts in intra/extravascular fluid were assessed from changes in hematocrit and plasma mass density while changes in the stimulus to regulate plasma volume were determined from Plasma Renin Activity (PRA). Autonomic blockade was used to unmask the relative contribution of sympathetic and parasympathetic efferent influences in response to 10 min each of 0, 20 and 40 mmHg Lower Body Negative Pressure (LBNP) and 15 and 30 mmHg Positive Pressure (LBPP). The combination of muscarinic blockade with graded LBNP and LBPP was used to evoke graded increases and decreases in sympathetic activity without parasympathetic contributions. The combination of beta blockade with graded LBNP and LBPP was used to produce graded increases and decreases in parasympathetic activity without beta sympathetic contributions. Finally, a combination of both beta and muscarinic blockades with LBNP and LBPP was used to determine the contribution from other, primarily alpha adrenergic, sources. Mean values, spectral analyses and time frequency analysis of R-R interval (HR), Arterial Pressure (AP), peripheral blood flow (RF), Stroke Volume (SV) and peripheral resistance (TPR) were performed for all phases of the study. Skin blood Flow (SF) was also measured in other studies and similarly analyzed. Spectra were examined for changes in three frequency regions (low 0.006 - 0.005 Hz (LF), mid 0.05 - 0.15 Hz (W), and high 0.15 - 0.45 Hz (EF)). The primary objective of the study was to indicate which changes in the mean values and/or spectra of cardiovascular variables consistently correlated with changes in sympatho-vagal balance in response to headward and footward fluid shifts. A secondaey objective was to quantify the vascular and extravascular fluid shifts evoked by LBNP and LBPP. The principal hypothesis being tested was that headward fluid shifts would evoke an increase in parasympathetic activity and footward fluid shifts would evoke an increase in sympathetic activity both of which would be detected by spectral analysis and verified by circulating hormones. Hematocrit (HCT), plasma mass density and plasma renin activity increased with muscarinic blockade and with LBNP, a response indicative of a plasma shift to extravascular spaces. Beta blockade alone or after muscarinic blockade had no effect on HCT or plasma mass density. With respect to intravascular fluid volume distribution, LBNP and LBPP produced sufficient upper body vascular fluid shifts to evoke appropriate autonomic regulatory responses.

Shift-variant linear system modeling for multispectral scanners

NASA Astrophysics Data System (ADS)

Amini, Abolfazl M.; Ioup, George E.; Ioup, Juliette W.

1995-07-01

Multispectral scanner data are affected both by the spatial impulse response of the sensor and the spectral response of each channel. To achieve a realistic representation for the output data for a given scene spectral input, both of these effects must be incorporated into a forward model. Each channel can have a different spatial response and each has its characteristic spectral response. A forward model is built which includes the shift invariant spatial broadening of the input for the channels and the shift variant spectral response across channels. The model is applied to the calibrated airborne multispectral scanner as well as the airborne terrestrial applications sensor developed at NASA Stennis Space Center.

Solvation effect of bacteriochlorophyll excitons in light-harvesting complex LH2.

PubMed

Urboniene, V; Vrublevskaja, O; Trinkunas, G; Gall, A; Robert, B; Valkunas, L

2007-09-15

We have characterized the influence of the protein environment on the spectral properties of the bacteriochlorophyll (Bchl) molecules of the peripheral light-harvesting (or LH2) complex from Rhodobacter sphaeroides. The spectral density functions of the pigments responsible for the 800 and 850 nm electronic transitions were determined from the temperature dependence of the Bchl absorption spectra in different environments (detergent micelles and native membranes). The spectral density function is virtually independent of the hydrophobic support that the protein experiences. The reorganization energy for the B850 Bchls is 220 cm(-1), which is almost twice that of the B800 Bchls, and its Huang-Rhys factor reaches 8.4. Around the transition point temperature, and at higher temperatures, both the static spectral inhomogeneity and the resonance interactions become temperature-dependent. The inhomogeneous distribution function of the transitions exhibits less temperature dependence when LH2 is embedded in membranes, suggesting that the lipid phase protects the protein. However, the temperature dependence of the fluorescence spectra of LH2 cannot be fitted using the same parameters determined from the analysis of the absorption spectra. Correct fitting requires the lowest exciton states to be additionally shifted to the red, suggesting the reorganization of the exciton spectrum.

Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fransson, Thomas; Norman, Patrick; Coriani, Sonia

2013-03-28

Near carbon K-edge X-ray absorption fine structure spectra of a series of fluorine-substituted ethenes and acetone have been studied using coupled cluster and density functional theory (DFT) polarization propagator methods, as well as the static-exchange (STEX) approach. With the complex polarization propagator (CPP) implemented in coupled cluster theory, relaxation effects following the excitation of core electrons are accounted for in terms of electron correlation, enabling a systematic convergence of these effects with respect to electron excitations in the cluster operator. Coupled cluster results have been used as benchmarks for the assessment of propagator methods in DFT as well as themore » state-specific static-exchange approach. Calculations on ethene and 1,1-difluoroethene illustrate the possibility of using nonrelativistic coupled cluster singles and doubles (CCSD) with additional effects of electron correlation and relativity added as scalar shifts in energetics. It has been demonstrated that CPP spectra obtained with coupled cluster singles and approximate doubles (CC2), CCSD, and DFT (with a Coulomb attenuated exchange-correlation functional) yield excellent predictions of chemical shifts for vinylfluoride, 1,1-difluoroethene, trifluoroethene, as well as good spectral features for acetone in the case of CCSD and DFT. Following this, CPP-DFT is considered to be a viable option for the calculation of X-ray absorption spectra of larger {pi}-conjugated systems, and CC2 is deemed applicable for chemical shifts but not for studies of fine structure features. The CCSD method as well as the more approximate CC2 method are shown to yield spectral features relating to {pi}*-resonances in good agreement with experiment, not only for the aforementioned molecules but also for ethene, cis-1,2-difluoroethene, and tetrafluoroethene. The STEX approach is shown to underestimate {pi}*-peak separations due to spectral compressions, a characteristic which is inherent to this method.« less

Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

PubMed

Fransson, Thomas; Coriani, Sonia; Christiansen, Ove; Norman, Patrick

2013-03-28

Near carbon K-edge X-ray absorption fine structure spectra of a series of fluorine-substituted ethenes and acetone have been studied using coupled cluster and density functional theory (DFT) polarization propagator methods, as well as the static-exchange (STEX) approach. With the complex polarization propagator (CPP) implemented in coupled cluster theory, relaxation effects following the excitation of core electrons are accounted for in terms of electron correlation, enabling a systematic convergence of these effects with respect to electron excitations in the cluster operator. Coupled cluster results have been used as benchmarks for the assessment of propagator methods in DFT as well as the state-specific static-exchange approach. Calculations on ethene and 1,1-difluoroethene illustrate the possibility of using nonrelativistic coupled cluster singles and doubles (CCSD) with additional effects of electron correlation and relativity added as scalar shifts in energetics. It has been demonstrated that CPP spectra obtained with coupled cluster singles and approximate doubles (CC2), CCSD, and DFT (with a Coulomb attenuated exchange-correlation functional) yield excellent predictions of chemical shifts for vinylfluoride, 1,1-difluoroethene, trifluoroethene, as well as good spectral features for acetone in the case of CCSD and DFT. Following this, CPP-DFT is considered to be a viable option for the calculation of X-ray absorption spectra of larger π-conjugated systems, and CC2 is deemed applicable for chemical shifts but not for studies of fine structure features. The CCSD method as well as the more approximate CC2 method are shown to yield spectral features relating to π∗-resonances in good agreement with experiment, not only for the aforementioned molecules but also for ethene, cis-1,2-difluoroethene, and tetrafluoroethene. The STEX approach is shown to underestimate π∗-peak separations due to spectral compressions, a characteristic which is inherent to this method.

Spectrally- and Time-Resolved Sum Frequency Generation (STiR-SFG): a new tool for ultrafast hydrogen bond dynamics at interfaces.

NASA Astrophysics Data System (ADS)

Benderskii, Alexander; Bordenyuk, Andrey; Weeraman, Champika

2006-03-01

The recently developed spectrally- and time-resolved Sum Frequency Generation (STiR-SFG) is a surface-selective 3-wave mixing (IR+visible) spectroscopic technique capable of measuring ultrafast spectral evolution of vibrational coherences. A detailed description of this measurement will be presented, and a noniterative method or deconvolving the laser pulses will be introduced to obtain the molecular response function. STiR-SFG, combined with the frequency-domain SFG spectroscopy, was applied to study hydrogen bonding dynamics at aqueous interfaces (D2O/CaF2). Spectral dynamics of the OD-stretch on the 50-150 fs time scale provides real-time observation of ultrafast H-bond rearrangement. Tuning the IR wavelength to the blue or red side of the OD-stretch transition, we selectively monitor the dynamics of different sub-ensembles in the distribution of the H-bond structures. The blue-side excitation (weaker H-bonding) shows monotonic red-shift of the OD-frequency. In contrast, the red-side excitation (stronger H-bonding structures) produces a blue-shift and a recursion, which may indicate the presence of an underdamped intermolecular mode of interfacial water. Effect of electrolyte concentration on the H-bond dynamics will be discussed.

Response of a benzoxainone derivative linked to monoaza-15-crown-5 with divalent heavy metals.

PubMed

Addleman, R S; Bennett, J; Tweedy, S H; Elshani, S; Wai, C M

1998-08-01

The response of a monoaza-15-crown-5 with an optically active aminobenzoxazinone moiety to divalent cations was investigated. The crown ether was found to undergo a strong emission shift to the blue when complexed with specific divalent metals that have ionic diameters between 1.9-2.4 A. Consequently the photoactive macrocycle is responsive to Mg(2+), Ca(2+), Ba(2+), Sr(2+), Cd(2+), and particularly responsive to Hg(2+)and Pb(2+). Macrocycle emission spectra are shown to be a function of cation concentration. Alkaline metal cations and smaller transition metals ions such as Ni(2+), Co(2+)and Zn(2+)do not cause significant changes in the macrocycle emission spectra. Emission, absorption, and complex stability constants are determined. Mechanisms of cation selectivity and spectral emission shifts are discussed. Challenges involving immobilization of the macrocycle while preserving its spectral response to cations are explored.

Color representation and interpretation of special effect coatings.

PubMed

Ferrero, A; Perales, E; Rabal, A M; Campos, J; Martínez-Verdú, F M; Chorro, E; Pons, A

2014-02-01

A representation of the color gamut of special effect coatings is proposed and shown for six different samples, whose colors were calculated from spectral bidirectional reflectance distribution function (BRDF) measurements at different geometries. The most important characteristic of the proposed representation is that it allows a straightforward understanding of the color shift to be done both in terms of conventional irradiation and viewing angles and in terms of flake-based parameters. A different line was proposed to assess the color shift of special effect coatings on a*,b*-diagrams: the absorption line. Similar to interference and aspecular lines (constant aspecular and irradiation angles, respectively), an absorption line is the locus of calculated color coordinates from measurement geometries with a fixed bistatic angle. The advantages of using the absorption lines to characterize the contributions to the spectral BRDF of the scattering at the absorption pigments and the reflection at interference pigments for different geometries are shown.

Electronic spectrum of trilayer graphene

NASA Astrophysics Data System (ADS)

Kumar, S.; Ajay

2014-08-01

Present work deals with the analysis of the single particle electronic spectral function in trilayer (ABC-, ABA- and AAA-stacked) graphene. Tight binding Hamiltonian containing intralayer nearest-neighbor and next-nearest neighbor hopping along-with the interlayer coupling parameter within two triangular sub-lattice approach for trilayer graphene has been employed. The expression of single particle spectral functions A(kw) is obtained within mean-field Green's function equations of motion approach. Spectral function at Γ, M and K points of the Brillouin zone has been numerically computed. It is pointed out that the nature of electronic states at different points of Brillouin zone is found to be influenced by stacking order and Coulomb interactions. At Γ and M points, a trilayer splitting is predicted while at K point a bilayer splitting effect is observed due to crossing of two bands (at K point). Interlayer coupling ( t_{ bot } ) is found to be responsible for the splitting of quasi-particle peaks at each point of Brillouin zone. The influence of t_{ bot } in trilayer graphene is prominent for AAA-stacking compared to ABC- and ABA-stacking. On the other hand, onsite Coulomb interaction reduces the trilayer splitting effect into bilayer splitting at Γ and M points of Brillouin zone and bilayer splitting into single peak spectral function at K point with a shifting of the peak away from Fermi level.

Proteorhodopsin in living color: diversity of spectral properties within living bacterial cells.

PubMed

Kelemen, Bradley R; Du, Mai; Jensen, Rasmus B

2003-12-03

Proteorhodopsin is a family of over 50 proteins that provide phototrophic capability to marine bacteria by acting as light-powered proton pumps. The potential importance of proteorhodopsin to global ocean ecosystems and the possible applications of proteorhodopsin in optical data storage and optical signal processing have spurred diverse research in this new family of proteins. We show that proteorhodopsin expressed in Escherichia coli is functional and properly inserted in the membrane. At high expression levels, it appears to self-associate. We present a method for determining spectral properties of proteorhodopsin in intact E. coli cells that matches results obtained with detergent-solubilized, purified proteins. Using this method, we observe distinctly different spectra for protonated and deprotonated forms of 21 natural proteorhodopsin proteins in intact E. coli cells. Upon protonation, the wavelength maxima red shifts between 13 and 53 nm. We find that pKa values between 7.1 and 8.5 describe the pH-dependent spectral shift for all of the 21 natural variants of proteorhodopsin. The wavelength maxima of the deprotonated forms of the 21 natural proteorhodopsins cluster in two sequence-related groups: blue proteorhodopsins (B-PR) and green proteorhodopsins (G-PR). The site-directed substitution Leu105Gln in Bac31A8 proteorhodopsin shifts this G-PR's wavelength maximum to a wavelength maximum the same as that of the B-PR Hot75m1 proteorhodopsin. The site-directed substitution Gln107Leu in Hot75m1 proteorhodopsin shifts this B-PR's wavelength maximum to a wavelength maximum as that of Bac31A8 proteorhodopsin.

Dynamic spectral shifts of molecular anions in organic glasses. [Pulse radiolysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huddleston, R.K.; Miller, J.R.

1982-06-24

Time-dependent spectra of the radical anions of pyromellitic dianhydride and p-dinitrobenzene have been observed after formation by pulse radiolysis in frozen 2-methyltetrahydrofuran and triacetin glasses. At temperatures near the glass transition, the spectra shift toward the blue over the entire observed time range 100 ns to 100 s), while at temperatures well below the glass transition, the spectral shifts can be stopped or greatly slowed. The magnitudes of the shifts are not large (typically approx. = to 10 nm), but because they are larger than the vibrational line widths, dramatic kinetics may be observed: the absorbance grows or decays bymore » more than a factor of five at some wavelengths. The observations are consistent with a solvent molecule reorientation mechanism for spectral shifts of molecular ions in low-temperature organic glasses. 6 figures.« less

The influence of sulfur configuration in 1 H NMR chemical shifts of diasteromeric five-membered cyclic sulfites.

PubMed

Obregón-Mendoza, Marco A; Sánchez-Castellanos, Mariano; Cuevas, Gabriel; Gnecco, Dino; Cassani, Julia; Poveda-Jaramillo, Juan C; Reynolds, William F; Enríquez, Raúl G

2017-03-01

The effect of the stereochemistry of the sulfur atom on 1 H chemical shifts of the diasteromeric pair of cyclic sulfites of 4-[methoxy(4-nitrophenyl)methyl]-5-phenyl-1,3,2-dioxathiolan-2-oxide was investigated. The complete 1 H and 13 C NMR spectral assignment was achieved by the use of one-dimensional and two-dimensional NMR techniques in combination with X-ray data. A correlation of experimental data with theoretical calculations of chemical shift tensors using density functional theory and topological theory of atoms in molecules was made. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Deriving inertial wave characteristics from surface drifter velocities - Frequency variability in the tropical Pacific

NASA Technical Reports Server (NTRS)

Poulain, Pierre-Marie; Luther, Douglas S.; Patzert, William C.

1992-01-01

Two techniques were developed for estimating statistics of inertial oscillations from satellite-tracked drifters that overcome the difficulties inherent in estimating such statistics from data dependent upon space coordinates that are a function of time. Application of these techniques to tropical surface drifter data collected during the NORPAX, EPOCS, and TOGA programs reveals a latitude-dependent, statistically significant 'blue shift' of inertial wave frequency. The latitudinal dependence of the blue shift is similar to predictions based on 'global' internal-wave spectral models, with a superposition of frequency shifting due to modification of the effective local inertial frequency by the presence of strongly sheared zonal mean currents within 12 deg of the equator.

Remote sensing-based characterization, 2-m, Plant Functional Type Distributions, Barrow Environmental Observatory, 2010

DOE Data Explorer

Langford, Zachary; Kumar, Jitendra; Hoffman, Forrest

2014-01-01

Arctic ecosystems have been observed to be warming faster than the global average and are predicted to experience accelerated changes in climate due to global warming. Arctic vegetation is particularly sensitive to warming conditions and likely to exhibit shifts in species composition, phenology and productivity under changing climate. Mapping and monitoring of changes in vegetation is essential to understand the effect of climate change on the ecosystem functions. Vegetation exhibits unique spectral characteristics which can be harnessed to discriminate plant types and develop quantitative vegetation indices. We have combined high resolution multi-spectral remote sensing from the WorldView 2 satellite with LIDAR-derived digital elevation models to characterize the tundra landscape on the North Slope of Alaska. Classification of landscape using spectral and topographic characteristics yields spatial regions with expectedly similar vegetation characteristics. A field campaign was conducted during peak growing season to collect vegetation harvests from a number of 1m x 1m plots in the study region, which were then analyzed for distribution of vegetation types in the plots. Statistical relationships were developed between spectral and topographic characteristics and vegetation type distributions at the vegetation plots. These derived relationships were employed to statistically upscale the vegetation distributions for the landscape based on spectral characteristics. Vegetation distributions developed are being used to provide Plant Functional Type (PFT) maps for use in the Community Land Model (CLM).

Propagation of spectral characterization errors of imaging spectrometers at level-1 and its correction within a level-2 recalibration scheme

NASA Astrophysics Data System (ADS)

Vicent, Jorge; Alonso, Luis; Sabater, Neus; Miesch, Christophe; Kraft, Stefan; Moreno, Jose

2015-09-01

The uncertainties in the knowledge of the Instrument Spectral Response Function (ISRF), barycenter of the spectral channels and bandwidth / spectral sampling (spectral resolution) are important error sources in the processing of satellite imaging spectrometers within narrow atmospheric absorption bands. The exhaustive laboratory spectral characterization is a costly engineering process that differs from the instrument configuration in-flight given the harsh space environment and harmful launching phase. The retrieval schemes at Level-2 commonly assume a Gaussian ISRF, leading to uncorrected spectral stray-light effects and wrong characterization and correction of the spectral shift and smile. These effects produce inaccurate atmospherically corrected data and are propagated to the final Level-2 mission products. Within ESA's FLEX satellite mission activities, the impact of the ISRF knowledge error and spectral calibration at Level-1 products and its propagation to Level-2 retrieved chlorophyll fluorescence has been analyzed. A spectral recalibration scheme has been implemented at Level-2 reducing the errors in Level-1 products below the 10% error in retrieved fluorescence within the oxygen absorption bands enhancing the quality of the retrieved products. The work presented here shows how the minimization of the spectral calibration errors requires an effort both for the laboratory characterization and for the implementation of specific algorithms at Level-2.

Spectrum of an electromagnetic light wave on scattering from an anisotropic semisoft boundary medium.

PubMed

Wang, Tao; Jiang, Zhenfei; Ji, Xiaoling; Zhao, Daomu

2016-04-01

Spectral shifts and spectral switches of a polychromatic electromagnetic light wave on scattering from an anisotropic semisoft boundary medium are discussed. It is shown that both the property of the incident field and the character of the scattering medium play roles in the change of the spectrum of the far-zone scattered field. It is also shown that the distribution of the far-zone scattered spectrum, including the magnitude of the spectral shift and the direction at which the spectral switch occurs, is rotationally nonsymmetric.

Highly sensitive detection of naphthalene in solvent vapor using a functionalized PBG refractive index sensor.

PubMed

Girschikofsky, Maiko; Rosenberger, Manuel; Belle, Stefan; Brutschy, Malte; Waldvogel, Siegfried R; Hellmann, Ralf

2012-01-01

We report an optical refractive index sensor system based on a planar Bragg grating which is functionalized by substituted γ-cyclodextrin to determine low concentrations of naphthalene in solvent vapor. The sensor system exhibits a quasi-instantaneous shift of the Bragg wavelength and is therefore capable for online detection. The overall shift of the Bragg wavelength reveals a linear relationship to the analyte concentration with a gradient of 12.5 ± 1.5 pm/ppm. Due to the spectral resolution and repeatability of the interrogation system, this corresponds to acquisition steps of 80 ppb. Taking into account the experimentally detected signal noise a minimum detection limit of 0.48 ± 0.05 ppm is deduced.

Theoretical analysis of the performance of code division multiple access communications over multimode optical fiber channels. Part 1: Transmission and detection

NASA Astrophysics Data System (ADS)

Walker, Ernest L.

1994-05-01

This paper presents results of a theoretical investigation to evaluate the performance of code division multiple access communications over multimode optical fiber channels in an asynchronous, multiuser communication network environment. The system is evaluated using Gold sequences for spectral spreading of the baseband signal from each user employing direct-sequence biphase shift keying and intensity modulation techniques. The transmission channel model employed is a lossless linear system approximation of the field transfer function for the alpha -profile multimode optical fiber. Due to channel model complexity, a correlation receiver model employing a suboptimal receive filter was used in calculating the peak output signal at the ith receiver. In Part 1, the performance measures for the system, i.e., signal-to-noise ratio and bit error probability for the ith receiver, are derived as functions of channel characteristics, spectral spreading, number of active users, and the bit energy to noise (white) spectral density ratio. In Part 2, the overall system performance is evaluated.

Relation of the spectroscopic reflectance of olivine to mineral chemistry and some remote sensing implications

NASA Technical Reports Server (NTRS)

King, Trude V. V.; Ridley, W. Ian

1987-01-01

High-resolution visible and near-IR diffuse spectral reflectance are used to systematically investigate apparent wavelength shifts as a function of mineral chemistry in the Fe/Mg olivine series from Fo(11) to Fo(91). The study also shows that trace amounts of nickel can be spectrally detected in the olivine structure. Significant compositional information can only be extracted at relatively high resolution, because the overall spectral characteristics of the olivines change only subtly as a function of the Fe/Mg ratio. This laboratory study is expected to aid in the interpretation of remotely sensed data from both terrestrial and extraterrestrial bodies. Terrestrial applications may include the recognition of ultramafic, ultrabasic, and basaltic terrains which in themselves may have mineral potential. Among extraterrestrial applications, the asteroids are obvious candidates for further examination. Some permutations of Fe-Mg-Ni relations in olivines are discussed as they apply to the interpretation of asteroid surfaces and other extraterrestrial bodies.

Micro-electro-mechanically switchable near infrared complementary metamaterial absorber

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pitchappa, Prakash; Pei Ho, Chong; Institute of Microelectronics

2014-05-19

We experimentally demonstrate a micro-electro-mechanically switchable near infrared complementary metamaterial absorber by integrating the metamaterial layer to be the out of plane movable microactuator. The metamaterial layer is electrostatically actuated by applying voltage across the suspended complementary metamaterial layer and the stationary bottom metallic reflector. Thus, the effective spacing between the metamaterial layer and bottom metal reflector is varied as a function of applied voltage. With the reduction of effective spacing between the metamaterial and reflector layers, a strong spectral blue shift in the peak absorption wavelength can be achieved. With spacing change of 300 nm, the spectral shift of 0.7 μmmore » in peak absorption wavelength was obtained for near infrared spectral region. The electro-optic switching performance of the device was characterized, and a striking switching contrast of 1500% was achieved at 2.1 μm. The reported micro-electro-mechanically tunable complementary metamaterial absorber device can potentially enable a wide range of high performance electro-optical devices, such as continuously tunable filters, modulators, and electro-optic switches that form the key components to facilitate future photonic circuit applications.« less

Spectral Sensitivity Change May Precede Habitat Shift in the Developing Retina of the Atlantic Tarpon (Megalops atlanticus).

PubMed

Schweikert, Lorian E; Grace, Michael S

Fish that undergo ontogenetic migrations between habitats often encounter new light environments that require changes in the spectral sensitivity of the retina. For many fish, sensitivity of the retina changes to match the environmental spectrum, but the timing of retinal change relative to habitat shift remains unknown. Does retinal change in fish precede habitat shift, or is it a response to encountered changes in environmental light? Spectral sensitivity changes were examined over the development of the Atlantic tarpon (Megalops atlanticus) retina relative to ontogenetic shifts in habitat light. Opsin gene isoform expression and inferred chromophore use of visual pigments were examined over the course of M. atlanticus development. Spectral sensitivity of the retina was then determined by electroretinography and compared to the spectroradiometric measurements of habitat light encountered by M. atlanticus from juveniles to adults. These data, along with previously known microspectrophotometric measurements of sensitivity in M. atlanticus, indicate retinal spectral sensitivity that matches the dominant wavelengths of environmental light for juvenile and adult fish. For the intervening subadult stage, however, spectral sensitivity does not match the dominant wavelength of light it occupies but better matches the dominant wavelengths of light in the habitat of its forthcoming migration. These results first indicate that the relationship between environmental light spectrum and spectral sensitivity of the retina changes during M. atlanticus development and then suggest that such changes may be programmed to support visual anticipation of new photic environments.

Deriving inertial wave characteristics from surface drifter velocities: Frequency variability in the Tropical Pacific

NASA Astrophysics Data System (ADS)

Poulain, Pierre-Marie; Luther, Douglas S.; Patzert, William C.

1992-11-01

Two techniques have been developed for estimating statistics of inertial oscillations from satellite-tracked drifters. These techniques overcome the difficulties inherent in estimating such statistics from data dependent upon space coordinates that are a function of time. Application of these techniques to tropical surface drifter data collected during the NORPAX, EPOCS, and TOGA programs reveals a latitude-dependent, statistically significant "blue shift" of inertial wave frequency. The latitudinal dependence of the blue shift is similar to predictions based on "global" internal wave spectral models, with a superposition of frequency shifting due to modification of the effective local inertial frequency by the presence of strongly sheared zonal mean currents within 12° of the equator.

Mass shift of charmonium states in p bar A collision

NASA Astrophysics Data System (ADS)

Wolf, György; Balassa, Gábor; Kovács, Péter; Zétényi, Miklós; Lee, Su Houng

2018-05-01

The masses of the low lying charmonium states, namely, the J / Ψ, Ψ (3686), and Ψ (3770) are shifted downwards due to the second order Stark effect. In p bar +Au collisions at 6-10 GeV we study their in-medium propagation. The time evolution of the spectral functions of these charmonium states is studied with a Boltzmann-Uehling-Uhlenbeck (BUU) type transport model. We show that their in-medium mass shift can be observed in the dilepton spectrum. Therefore, by observing the dileptonic decay channel of these low lying charmonium states, especially for Ψ (3686), we can gain information about the magnitude of the gluon condensate in nuclear matter. This measurement could be performed at the upcoming PANDA experiment at FAIR.

Inner filter effect and the onset of concentration dependent red shift of synchronous fluorescence spectra.

PubMed

Tarai, Madhumita; Mishra, Ashok Kumar

2016-10-12

The phenomenon of concentration dependent red shift, often observed in synchronous fluorescence spectra (SFS) of monofluorophoric as well as multifluorophoric systems at high chromophore concentrations, is known to have good analytical advantages. This was previously understood in terms of large inner filter effect (IFE) through the introduction of a derived absorption spectral profile that closely corresponds to the SFS profile. Using representative monofluorophoric and multifluorophoric systems, it is now explained how the SF spectral maximum changes with concentration of the fluorophore. For dilute solutions of monofluorophores the maximum is unchanged as expected. It is shown here that the onset of red shift of SFS maximum of both the mono as well as the multifluorophoric systems must occur at the derived absorption spectral parameter value of 0.32 that corresponds to the absorbance value of 0.87. This value is unique irrespective of the nature of the fluorophore under study. For monofluorophoric systems, the wavelength of derived absorption spectral maximum and the wavelength of synchronous fluorescence spectral maximum closely correspond with each other in the entire concentration range. In contrast, for multifluorophoric systems like diesel and aqueous humic acid, large deviations were noted that could be explained as to be due to the presence of non-fluorescing chromophores in the system. This work bridges the entire fluorophore concentration range over which the red shift of SFS maximum sets in; and in the process it establishes the importance of the derived absorption spectral parameter in understanding the phenomenon of concentration dependent red shift of SFS maximum. Copyright © 2016 Elsevier B.V. All rights reserved.

A Fast Variant of 1H Spectroscopic U-FLARE Imaging Using Adjusted Chemical Shift Phase Encoding

NASA Astrophysics Data System (ADS)

Ebel, Andreas; Dreher, Wolfgang; Leibfritz, Dieter

2000-02-01

So far, fast spectroscopic imaging (SI) using the U-FLARE sequence has provided metabolic maps indirectly via Fourier transformation (FT) along the chemical shift (CS) dimension and subsequent peak integration. However, a large number of CS encoding steps Nω is needed to cover the spectral bandwidth and to achieve sufficient spectral resolution for peak integration even if the number of resonance lines is small compared to Nω and even if only metabolic images are of interest and not the spectra in each voxel. Other reconstruction algorithms require extensive prior knowledge, starting values, and/or model functions. An adjusted CS phase encoding scheme (APE) can be used to overcome these drawbacks. It incorporates prior knowledge only about the resonance frequencies present in the sample. Thus, Nω can be reduced by a factor of 4 for many 1H in vivo studies while no spectra have to be reconstructed, and no additional user interaction, prior knowledge, starting values, or model function are required. Phantom measurements and in vivo experiments on rat brain have been performed at 4.7 T to test the feasibility of the method for proton SI.

Structural motifs of pre-nucleation clusters.

PubMed

Zhang, Y; Türkmen, I R; Wassermann, B; Erko, A; Rühl, E

2013-10-07

Structural motifs of pre-nucleation clusters prepared in single, optically levitated supersaturated aqueous aerosol microparticles containing CaBr2 as a model system are reported. Cluster formation is identified by means of X-ray absorption in the Br K-edge regime. The salt concentration beyond the saturation point is varied by controlling the humidity in the ambient atmosphere surrounding the 15-30 μm microdroplets. This leads to the formation of metastable supersaturated liquid particles. Distinct spectral shifts in near-edge spectra as a function of salt concentration are observed, in which the energy position of the Br K-edge is red-shifted by up to 7.1 ± 0.4 eV if the dilute solution is compared to the solid. The K-edge positions of supersaturated solutions are found between these limits. The changes in electronic structure are rationalized in terms of the formation of pre-nucleation clusters. This assumption is verified by spectral simulations using first-principle density functional theory and molecular dynamics calculations, in which structural motifs are considered, explaining the experimental results. These consist of solvated CaBr2 moieties, rather than building blocks forming calcium bromide hexahydrates, the crystal system that is formed by drying aqueous CaBr2 solutions.

Possible shift in the ENSO-Indian monsoon rainfall relationship under future global warming

PubMed Central

Azad, Sarita; Rajeevan, M.

2016-01-01

EI Nino-Southern Oscillation (ENSO) and Indian monsoon rainfall are known to have an inverse relationship, which we have observed in the rainfall spectrum exhibiting a spectral dip in 3–5 y period band. It is well documented that El Nino events are known to be associated with deficit rainfall. Our analysis reveals that this spectral dip (3–5 y) is likely to shift to shorter periods (2.5–3 y) in future, suggesting a possible shift in the relationship between ENSO and monsoon rainfall. Spectral analysis of future climate projections by 20 Coupled Model Intercomparison project 5 (CMIP5) models are employed in order to corroborate our findings. Change in spectral dip speculates early occurrence of drought events in future due to multiple factors of global warming. PMID:26837459

Measurements of the broadening and shift parameters of the water vapor spectral lines in the 10,100-10,800 cm-1 region induced by pressure of carbon dioxide

NASA Astrophysics Data System (ADS)

Borkov, Yu. G.; Petrova, T. M.; Solodov, A. M.; Solodov, A. A.

2018-02-01

The absorption spectra of a mixture of H2O with CO2 at different partial pressures of CO2 have been recorded at room temperature in the 10,100-10,800 cm-1 region using a Bruker IFS 125 HR FTIR spectrometer. The multispectrum fitting procedure has been applied to these spectra to recover the broadening and shift parameters of the water vapor spectral lines. To obtain the spectral lines parameters two models of the line shape were used: the Voigt profile and the quadratic speed-dependent Voigt profile. The CO2 pressure induced broadening and shift coefficients for 168 spectral lines with rather large values of the signal to noise ratio have been measured.

Complementary shifts in photoreceptor spectral tuning unlock the full adaptive potential of ultraviolet vision in birds.

PubMed

Toomey, Matthew B; Lind, Olle; Frederiksen, Rikard; Curley, Robert W; Riedl, Ken M; Wilby, David; Schwartz, Steven J; Witt, Christopher C; Harrison, Earl H; Roberts, Nicholas W; Vorobyev, Misha; McGraw, Kevin J; Cornwall, M Carter; Kelber, Almut; Corbo, Joseph C

2016-07-12

Color vision in birds is mediated by four types of cone photoreceptors whose maximal sensitivities (λmax) are evenly spaced across the light spectrum. In the course of avian evolution, the λmax of the most shortwave-sensitive cone, SWS1, has switched between violet (λmax > 400 nm) and ultraviolet (λmax < 380 nm) multiple times. This shift of the SWS1 opsin is accompanied by a corresponding short-wavelength shift in the spectrally adjacent SWS2 cone. Here, we show that SWS2 cone spectral tuning is mediated by modulating the ratio of two apocarotenoids, galloxanthin and 11’,12’-dihydrogalloxanthin, which act as intracellular spectral filters in this cell type. We propose an enzymatic pathway that mediates the differential production of these apocarotenoids in the avian retina, and we use color vision modeling to demonstrate how correlated evolution of spectral tuning is necessary to achieve even sampling of the light spectrum and thereby maintain near-optimal color discrimination.

Fine tuning of the spectral properties of LH2 by single amino acid residues.

PubMed

Silber, Martina V; Gabriel, Günther; Strohmann, Brigitte; Garcia-Martin, Adela; Robert, Bruno; Braun, Paula

2008-05-01

The peripheral light-harvesting complex, LH2, of Rhodobacter sphaeroides consists of an assembly of membrane-spanning alpha and beta polypeptides which assemble the photoactive bacteriochlorophyll and carotenoid molecules. In this study we systematically investigated bacteriochlorophyll-protein interactions and their effect on functional bacteriochlorophyll assembly by site-directed mutations of the LH2 alpha-subunit. The amino acid residues, isoleucine at position -1 and serine at position -4 were replaced by 12 and 13 other residues, respectively. All residues replacing isoleucine at position -1 supported the functional assembly of LH2. The replacement of isoleucine by glycine, glutamine or asparagine, however, produced LH2 complex with significantly altered spectral properties in comparison to LH2 WT. As indicated by resonance Raman spectroscopy extensive rearrangement of the bacteriochlorophyll-B850 macrocycle(s) took place in LH2 in which isoleucine -1 was replaced by glycine. The replacement results in disruption of the H-bond between the C3 acetyl groups and the aromatic residues +13/+14 without affecting the H-bond involving the C13(1) keto group. In contrast, nearly all amino acid replacements of serine at position -4 resulted in shifting of the bacteriochlorophyll-B850 red most absorption maximum. Interestingly, the extent of shifting closely correlated with the volume of the residue at position -4. These results illustrate that fine tuning of the spectral properties of the bacteriochlorophyll-B850 molecules depend on their packing with single amino acid residues at distinct positions.

Reflectance spectroscopy of organic compounds: 1. Alkanes

NASA Astrophysics Data System (ADS)

Clark, Roger N.; Curchin, John M.; Hoefen, Todd M.; Swayze, Gregg A.

2009-03-01

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

Reflectance spectroscopy of organic compounds: 1. Alkanes

USGS Publications Warehouse

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

2009-01-01

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

Functionalized xenon as a biosensor

PubMed Central

Spence, Megan M.; Rubin, Seth M.; Dimitrov, Ivan E.; Ruiz, E. Janette; Wemmer, David E.; Pines, Alexander; Yao, Shao Qin; Tian, Feng; Schultz, Peter G.

2001-01-01

The detection of biological molecules and their interactions is a significant component of modern biomedical research. In current biosensor technologies, simultaneous detection is limited to a small number of analytes by the spectral overlap of their signals. We have developed an NMR-based xenon biosensor that capitalizes on the enhanced signal-to-noise, spectral simplicity, and chemical-shift sensitivity of laser-polarized xenon to detect specific biomolecules at the level of tens of nanomoles. We present results using xenon “functionalized” by a biotin-modified supramolecular cage to detect biotin–avidin binding. This biosensor methodology can be extended to a multiplexing assay for multiple analytes. PMID:11535830

Static and dynamic protein impact on electronic properties of light-harvesting complex LH2.

PubMed

Zerlauskiene, O; Trinkunas, G; Gall, A; Robert, B; Urboniene, V; Valkunas, L

2008-12-11

A comparative analysis of the temperature dependence of the absorption spectra of the LH2 complexes from different species of photosynthetic bacteria, i.e., Rhodobacter sphaeroides, Rhodoblastus acidophilus, and Phaeospirillum molischianum, was performed in the temperature range from 4 to 300 K. Qualitatively, the temperature dependence is similar for all of the species studied. The spectral bandwidths of both B800 and B850 bands increases with temperature while the band positions shift in opposite directions: the B800 band shifts slightly to the red while the B850 band to the blue. These results were analyzed using the modified Redfield theory based on the exciton model. The main conclusion drawn from the analysis was that the spectral density function (SDF) is the main factor underlying the strength of the temperature dependence of the bandwidths for the B800 and B850 electronic transitions, while the bandwidths themselves are defined by the corresponding inhomogeneous distribution function (IDF). Slight variation of the slope of the temperature dependence of the bandwidths between species can be attributed to the changes of the values of the reorganization energies and characteristic frequencies determining the SDF. To explain the shift of the B850 band position with temperature, which is unusual for the conventional exciton model, a temperature dependence of the IDF must be postulated. This dependence can be achieved within the framework of the modified (dichotomous) exciton model. The slope of the temperature dependence of the B850 bandwidth is then defined by the value of the reorganization energy and by the difference between the transition energies of the dichotomous states of the pigment molecules. The equilibration factor between these dichotomous states mainly determines the temperature dependence of the peak shift.

Free Carrier Induced Spectral Shift for GaAs Filled Metallic Hole Arrays

DTIC Science & Technology

2012-03-13

Bahae , G. I . Stegeman, K. Al-hemyari, J. S. Aitchison, and C. N. Ironside, “Limitation due to three-photon absorption on the useful spectral range...Free carrier induced spectral shift for GaAs filled metallic hole arrays Jingyu Zhang 1,2,* , Bin Xiang 3 , Mansoor Sheik- Bahae 4 , and S. R. J...OCIS codes: (310.6628) Subwavelength structures;(190.4350) Nonlinear optics at surfaces References and links 1. J. M. Luther, P. K. I . Jain, T. Ewers

[Assessment of influence of breath holding and hyperventilation on human postural stability with spectral analysis of stabilographic signal].

PubMed

Malakhov, M V; Makarenkova, E A; Mel'nikov, A A; Vikulov, A D

2014-01-01

The influence of breath holding and voluntary hyperventilation on the classic stabilometric parameters and the frequency characteristic of stabilographic signal were studied. We measured the stabilometric parameters on the force platform ("Ritm", Russia) on the healthy volunteers (n = 107) during quiet breath, voluntary hyperventilation (20 seconds) and maximal inspiratory breath holding (20 seconds). Respiratory frequency, respiratory amplitude and ventilation were estimated with strain gauge. We found that antero-posterior and medio-lateral sway amplitude and velocity as well as sway surface at breath-holding and at quiet breathing were the same, so breath holding didn't influence the postural stability. However the spectral parameters shifted to the high frequency range due to alteration of the respiratory muscles contractions during breath-holding versus quiet breath. Voluntary hyperventilation caused significant increase of all stabilographic indices that implied an impairment of postural stability, which was due to the increase of respiration frequency and amplitude. We also found that the spectral indices moved toward the high-frequency range with more pronounced degree of this shift versus breath holding. Besides, amplitudes of spectral peaks also increased. Perhaps such change of spectral indices was due to distortion of proprioceptive information because of increased excitability of nerve fibers during hyperventilation. Maximal inspiration breath holding causes strain of the postural control mechanisms that is reflected as elevation of postural sway frequency with no postural stability changes. Hyperventilation leads to the most prominent strain of balance function and decrease of steadiness that is manifested as increase of center of pressure oscillations amplitude and frequency.

Shift in a Large River Fish Assemblage: Body-Size and Trophic Structure Dynamics

PubMed Central

Broadway, Kyle J.; Pyron, Mark; Gammon, James R.; Murry, Brent A.

2015-01-01

As the intensity and speed of environmental change increase at both local and global scales it is imperative that we gain a better understanding of the ecological implications of community shifts. While there has been substantial progress toward understanding the drivers and subsequent responses of community change (e.g. lake trophic state), the ecological impacts of food web changes are far less understood. We analyzed Wabash River fish assemblage data collected from 1974-2008, to evaluate temporal variation in body-size structure and functional group composition. Two parameters derived from annual community size-spectra were our major response variables: (1) the regression slope is an index of ecological efficiency and predator-prey biomass ratios, and (2) spectral elevation (regression midpoint height) is a proxy for food web capacity. We detected a large assemblage shift, over at least a seven year period, defined by dramatic changes in abundance (measured as catch-per-unit-effort) of the dominant functional feeding groups among two time periods; from an assemblage dominated by planktivore-omnivores to benthic invertivores. There was a concurrent increase in ecological efficiency (slopes increased over time) following the shift associated with an increase in large-bodied low trophic level fish. Food web capacity remained relatively stable with no clear temporal trends. Thus, increased ecological efficiency occurred simultaneous to a compensatory response that shifted biomass among functional feeding groups. PMID:25902144

Aggregation-induced emission spectral shift as a measure of local concentration of a pH-activatable rhodamine-based smart probe

NASA Astrophysics Data System (ADS)

Arsov, Zoran; Urbančič, Iztok; Štrancar, Janez

2018-02-01

Generating activatable probes that report about molecular vicinity through contact-based mechanisms such as aggregation can be very convenient. Specifically, such probes change a particular spectral property only at the intended biologically relevant target. Xanthene derivatives, for example rhodamines, are able to form aggregates. It is typical to examine aggregation by absorption spectroscopy but for microscopy applications utilizing fluorescent probes it is very important to perform characterization by measuring fluorescence spectra. First we show that excitation spectra of aqueous solutions of rhodamine 6G can be very informative about the aggregation features. Next we establish the dependence of the fluorescence emission spectral maximum shift on the dimer concentration. The obtained information helped us confirm the possibility of aggregation of a recently designed and synthesized rhodamine 6G-based pH-activatable fluorescent probe and to study its pH and concentration dependence. The size of the aggregation-induced emission spectral shift at specific position on the sample can be measured by fluorescence microspectroscopy, which at particular pH allows estimation of the local concentration of the observed probe at microscopic level. Therefore, we show that besides aggregation-caused quenching and aggregation-induced emission also aggregation-induced emission spectral shift can be a useful photophysical phenomenon.

Mercury exosphere. III: Energetic characterization of its sodium component

NASA Astrophysics Data System (ADS)

Leblanc, Francois; Chaufray, Jean-Yves; Doressoundiram, Alain; Berthelier, Jean-Jacques; Mangano, Valeria; López-Ariste, Arturo; Borin, Patrizia

2013-04-01

Mercury's sodium exosphere has been observed only few times with high spectral resolution from ground based observatories enabling the analysis of the emission spectra. These observations highlighted the energetic state of the sodium exospheric atoms relative to the surface temperature. More recently, the Doppler shift of the exospheric Na atoms was measured and interpreted as consistent with an exosphere moving outwards from the subsolar point (Potter, A.E., Morgan, T.H., Killen, R.E. [2009]. Icarus 204, 355-367). Using THEMIS solar telescope, we observed Mercury's sodium exosphere with very high spectral resolution at two opposite positions of its orbit. Using this very high spectral resolution and the scanning capabilities of THEMIS, we were able to reconstruct the 2D spatial distributions of the Doppler shifts and widths of the sodium atomic Na D2 and D1 lines. These observations revealed surprisingly large Doppler shift as well as spectral width consistent with previous observations. Starting from our 3D model of Mercury Na exosphere (Mercury Exosphere Global Circulation Model, Leblanc, F., Johnson, R.E. [2010]. Icarus 209, 280-300), we coupled this model with a 3D radiative transfer model described in a companion paper (Chaufray, J.Y., Leblanc, F. [2013]. Icarus, submitted for publication) which allows us to properly treat the non-maxwellian state of the simulated sodium exospheric population. Comparisons between THEMIS observations and simulations suggest that the previously observed energetic state of the Na exosphere might be essentially explained by a state of the Na exospheric atoms far from thermal equilibrium along with the Doppler shift dispersion of the Na atoms induced by the solar radiation pressure. However, the Doppler shift of the spectral lines cannot be explained by our modelling, suggesting either an exosphere spatially structured very differently than in our model or the inaccuracy of the spectral calibration when deriving the Doppler shift.

Methane spectral line widths and shifts, and dependences on physical parameters

NASA Technical Reports Server (NTRS)

Fox, K.; Quillen, D. T.; Jennings, D. E.; Wagner, J.; Plymate, C.

1991-01-01

A detailed report of the recent high-resolution spectroscopic research on widths and shifts measured for a strong infrared-active fundamental of methane is presented. They were measured in collision with several rare gases and diatomic molecules, in the vibrational-rotational fundamental near 3000/cm. These measurements were made at an ambient temperature of 294 K over a range of pressures from 100 to 700 torr. The measurements are discussed in a preliminary but detailed and quantitative manner with reference to masses, polarizabilities, and quadrupole moments. Some functional dependences on these physical parameters are considered. The present data are useful for studies of corresponding planetary spectra.

Complementary shifts in photoreceptor spectral tuning unlock the full adaptive potential of ultraviolet vision in birds

PubMed Central

Toomey, Matthew B; Lind, Olle; Frederiksen, Rikard; Curley, Robert W; Riedl, Ken M; Wilby, David; Schwartz, Steven J; Witt, Christopher C; Harrison, Earl H; Roberts, Nicholas W; Vorobyev, Misha; McGraw, Kevin J; Cornwall, M Carter; Kelber, Almut; Corbo, Joseph C

2016-01-01

Color vision in birds is mediated by four types of cone photoreceptors whose maximal sensitivities (λmax) are evenly spaced across the light spectrum. In the course of avian evolution, the λmax of the most shortwave-sensitive cone, SWS1, has switched between violet (λmax > 400 nm) and ultraviolet (λmax < 380 nm) multiple times. This shift of the SWS1 opsin is accompanied by a corresponding short-wavelength shift in the spectrally adjacent SWS2 cone. Here, we show that SWS2 cone spectral tuning is mediated by modulating the ratio of two apocarotenoids, galloxanthin and 11’,12’-dihydrogalloxanthin, which act as intracellular spectral filters in this cell type. We propose an enzymatic pathway that mediates the differential production of these apocarotenoids in the avian retina, and we use color vision modeling to demonstrate how correlated evolution of spectral tuning is necessary to achieve even sampling of the light spectrum and thereby maintain near-optimal color discrimination. DOI: http://dx.doi.org/10.7554/eLife.15675.001 PMID:27402384

Assessment of AVIRIS data from vegetated sites in the Owens Valley, California

NASA Technical Reports Server (NTRS)

Rock, B. N.; Elvidge, Christopher D.; Defeo, N. J.

1988-01-01

Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data were acquired from the Bishop, CA area, located at the northern end of the Owens Valley, on July 30, 1987. Radiometrically-corrected AVIRIS data were flat-field corrected, and spectral curves produced and analyzed for pixels taken from both native and cultivated vegetation sites, using the JPS SPAM software program and PC-based spreadsheet programs. Analyses focussed on the chlorophyll well and red edge portions of the spectral curves. Results include the following: AVIRIS spectral data are acquired at sufficient spectral resolution to allow detection of blue shifts of both the chlorophyll well and red edge in moisture-stressed vegetation when compared with non-stressed vegetation; a normalization of selected parameters (chlorophyll well and near infrared shoulder) may be used to emphasize the shift in red edge position; and the presence of the red edge in AVIRIS spectral curves may be useful in detecting small amounts (20 to 30 pct cover) of semi-arid and arid vegetation ground cover. A discussion of possible causes of AVIRIS red edge shifts in respsonse to stress is presented.

Color Shift Failure Prediction for Phosphor-Converted White LEDs by Modeling Features of Spectral Power Distribution with a Nonlinear Filter Approach

PubMed Central

Mohamed, Moumouni Guero; Fan, Xuejun; Zhang, Guoqi; Pecht, Michael

2017-01-01

With the expanding application of light-emitting diodes (LEDs), the color quality of white LEDs has attracted much attention in several color-sensitive application fields, such as museum lighting, healthcare lighting and displays. Reliability concerns for white LEDs are changing from the luminous efficiency to color quality. However, most of the current available research on the reliability of LEDs is still focused on luminous flux depreciation rather than color shift failure. The spectral power distribution (SPD), defined as the radiant power distribution emitted by a light source at a range of visible wavelength, contains the most fundamental luminescence mechanisms of a light source. SPD is used as the quantitative inference of an LED’s optical characteristics, including color coordinates that are widely used to represent the color shift process. Thus, to model the color shift failure of white LEDs during aging, this paper first extracts the features of an SPD, representing the characteristics of blue LED chips and phosphors, by multi-peak curve-fitting and modeling them with statistical functions. Then, because the shift processes of extracted features in aged LEDs are always nonlinear, a nonlinear state-space model is then developed to predict the color shift failure time within a self-adaptive particle filter framework. The results show that: (1) the failure mechanisms of LEDs can be identified by analyzing the extracted features of SPD with statistical curve-fitting and (2) the developed method can dynamically and accurately predict the color coordinates, correlated color temperatures (CCTs), and color rendering indexes (CRIs) of phosphor-converted (pc)-white LEDs, and also can estimate the residual color life. PMID:28773176

Color Shift Failure Prediction for Phosphor-Converted White LEDs by Modeling Features of Spectral Power Distribution with a Nonlinear Filter Approach.

PubMed

Fan, Jiajie; Mohamed, Moumouni Guero; Qian, Cheng; Fan, Xuejun; Zhang, Guoqi; Pecht, Michael

2017-07-18

With the expanding application of light-emitting diodes (LEDs), the color quality of white LEDs has attracted much attention in several color-sensitive application fields, such as museum lighting, healthcare lighting and displays. Reliability concerns for white LEDs are changing from the luminous efficiency to color quality. However, most of the current available research on the reliability of LEDs is still focused on luminous flux depreciation rather than color shift failure. The spectral power distribution (SPD), defined as the radiant power distribution emitted by a light source at a range of visible wavelength, contains the most fundamental luminescence mechanisms of a light source. SPD is used as the quantitative inference of an LED's optical characteristics, including color coordinates that are widely used to represent the color shift process. Thus, to model the color shift failure of white LEDs during aging, this paper first extracts the features of an SPD, representing the characteristics of blue LED chips and phosphors, by multi-peak curve-fitting and modeling them with statistical functions. Then, because the shift processes of extracted features in aged LEDs are always nonlinear, a nonlinear state-space model is then developed to predict the color shift failure time within a self-adaptive particle filter framework. The results show that: (1) the failure mechanisms of LEDs can be identified by analyzing the extracted features of SPD with statistical curve-fitting and (2) the developed method can dynamically and accurately predict the color coordinates, correlated color temperatures (CCTs), and color rendering indexes (CRIs) of phosphor-converted (pc)-white LEDs, and also can estimate the residual color life.

Spectral grading and Gleason grading of malignant prostate tissue using Stokes shift spectra

NASA Astrophysics Data System (ADS)

Al Salhi, M.; Masilamani, V.; Rabah, D.; Farhat, K.; Liu, C. H.; Pu, Y.; Alfano, R. R.

2012-01-01

Gleason score is the most common method of grading the virulence of prostate malignancy and is based on the pathological assessment of morphology of cellular matrix. Since this involves the excision of the tissue, we are working on a new, minimally invasive, non contact, procedure of spectral diagnosis of prostate malignancy. In this preliminary in vitro study reported here, we have analyzed 27 tissue samples (normal control =7: benign=8: malignant =12) by Stokes' shift spectra (SSS) to establish a one- to- one correlation between spectral grading and Gleason grading.

Accurate Measurements of Spectral Reflectance in Picasso's Guernica Painting.

PubMed

de Luna, Javier Muñoz; Fernandez-Balbuena, Antonio Alvarez; Vázquez, Daniel; Melgosa, Manuel; Durán, Humberto; García, Jorge; Muro, Carmen

2016-01-01

The use of non-invasive spectral measurements to control the conservation status is a part of the preventive conservation of artworks which nowadays is becoming increasingly interesting. This paper describes how to use a spectral measuring device and an illumination system specifically designed for such a task in a very large dimension artwork painting (7.8 m wide × 3.5 m high). The system, controlled by a Cartesian robot, allows spectral measurements in a spectral range of 400-780 nm. The measured data array has a total of 2201 circular regions with 5.5 mm spot diameter placed on a square grid. Colorimetric calculations performed from these spectral measurements may be used to characterize color shifts related to reflectance changes in specific areas of the paint. A color shifting from the expected gray has been shown. © The Author(s) 2015.

Probing Structural Perturbation in a Bent Molecular Crystal with Synchrotron Infrared Microspectroscopy and Periodic Density Functional Theory Calculations.

PubMed

Pejov, Ljupčo; Panda, Manas K; Moriwaki, Taro; Naumov, Panče

2017-02-15

The range of unit cell orientations generated at the kink of a bent single crystal poses unsurmountable challenges with diffraction analysis and limits the insight into the molecular-scale mechanism of bending. On a plastically bent crystal of hexachlorobenzene, it is demonstrated here that spatially resolved microfocus infrared spectroscopy using synchrotron radiation can be applied in conjunction with periodic density functional theory calculations to predict spectral changes or to extract information on structural changes that occur as a consequence of bending. The approach reproduces well the observed trends, such as the wall effects, and provides estimations of the vibrational shifts, unit cell deformations, and intramolecular parameters. Generally, expansion of the lattice induces red-shift while compression induces larger blue-shift of the characteristic ν(C-C) and ν(C-Cl) modes. Uniform or non-uniform expansion or contraction of the unit cell of 0.1 Å results in shifts of several cm -1 , whereas deformation of the cell of 0.5° at the unique angle causes shifts of <0.5 cm -1 . Since this approach does not include parameters related to the actual stimulus by which the deformation has been induced, it can be generalized and applied to other mechanically, photochemically, or thermally bent crystals.

A new multiscale noise tuning stochastic resonance for enhanced fault diagnosis in wind turbine drivetrains

NASA Astrophysics Data System (ADS)

Hu, Bingbing; Li, Bing

2016-02-01

It is very difficult to detect weak fault signatures due to the large amount of noise in a wind turbine system. Multiscale noise tuning stochastic resonance (MSTSR) has proved to be an effective way to extract weak signals buried in strong noise. However, the MSTSR method originally based on discrete wavelet transform (DWT) has disadvantages such as shift variance and the aliasing effects in engineering application. In this paper, the dual-tree complex wavelet transform (DTCWT) is introduced into the MSTSR method, which makes it possible to further improve the system output signal-to-noise ratio and the accuracy of fault diagnosis by the merits of DTCWT (nearly shift invariant and reduced aliasing effects). Moreover, this method utilizes the relationship between the two dual-tree wavelet basis functions, instead of matching the single wavelet basis function to the signal being analyzed, which may speed up the signal processing and be employed in on-line engineering monitoring. The proposed method is applied to the analysis of bearing outer ring and shaft coupling vibration signals carrying fault information. The results confirm that the method performs better in extracting the fault features than the original DWT-based MSTSR, the wavelet transform with post spectral analysis, and EMD-based spectral analysis methods.

Chemometric Analysis of Gas Chromatography – Mass Spectrometry Data using Fast Retention Time Alignment via a Total Ion Current Shift Function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nadeau, Jeremy S.; Wright, Bob W.; Synovec, Robert E.

2010-04-15

A critical comparison of methods for correcting severely retention time shifted gas chromatography-mass spectrometry (GC-MS) data is presented. The method reported herein is an adaptation to the Piecewise Alignment Algorithm to quickly align severely shifted one-dimensional (1D) total ion current (TIC) data, then applying these shifts to broadly align all mass channels throughout the separation, referred to as a TIC shift function (SF). The maximum shift varied from (-) 5 s in the beginning of the chromatographic separation to (+) 20 s toward the end of the separation, equivalent to a maximum shift of over 5 peak widths. Implementing themore » TIC shift function (TIC SF) prior to Fisher Ratio (F-Ratio) feature selection and then principal component analysis (PCA) was found to be a viable approach to classify complex chromatograms, that in this study were obtained from GC-MS separations of three gasoline samples serving as complex test mixtures, referred to as types C, M and S. The reported alignment algorithm via the TIC SF approach corrects for large dynamic shifting in the data as well as subtle peak-to-peak shifts. The benefits of the overall TIC SF alignment and feature selection approach were quantified using the degree-of-class separation (DCS) metric of the PCA scores plots using the type C and M samples, since they were the most similar, and thus the most challenging samples to properly classify. The DCS values showed an increase from an initial value of essentially zero for the unaligned GC-TIC data to a value of 7.9 following alignment; however, the DCS was unchanged by feature selection using F-Ratios for the GC-TIC data. The full mass spectral data provided an increase to a final DCS of 13.7 after alignment and two-dimensional (2D) F-Ratio feature selection.« less

Room temperature spectrally resolved single-molecule spectroscopy reveals new spectral forms and photophysical versatility of aequorea green fluorescent protein variants.

PubMed

Blum, Christian; Meixner, Alfred J; Subramaniam, Vinod

2004-12-01

It is known from ensemble spectroscopy at cryogenic temperatures that variants of the Aequorea green fluorescent protein (GFP) occur in interconvertible spectroscopically distinct forms which are obscured in ensemble room temperature spectroscopy. By analyzing the fluorescence of the GFP variants EYFP and EGFP by spectrally resolved single-molecule spectroscopy we were able to observe spectroscopically different forms of the proteins and to dynamically monitor transitions between these forms at room temperature. In addition to the predominant EYFP B-form we have observed the blue-shifted I-form thus far only seen at cryogenic temperatures and have followed transitions between these forms. Further we have identified for EYFP and for EGFP three more, so far unknown, forms with red-shifted fluorescence. Transitions between the predominant forms and the red-shifted forms show a dark time which indicates the existence of a nonfluorescent intermediate. The spectral position of the newly-identified red-shifted forms and their formation via a nonfluorescent intermediate hint that these states may account for the possible photoactivation observed in bulk experiments. The comparison of the single-protein spectra of the red-shifted EYFP and EGFP forms with single-molecule fluorescence spectra of DsRed suggest that these new forms possibly originate from an extended chromophoric pi-system analogous to the DsRed chromophore.

Development of new two-dimensional spectral/spatial code based on dynamic cyclic shift code for OCDMA system

NASA Astrophysics Data System (ADS)

Jellali, Nabiha; Najjar, Monia; Ferchichi, Moez; Rezig, Houria

2017-07-01

In this paper, a new two-dimensional spectral/spatial codes family, named two dimensional dynamic cyclic shift codes (2D-DCS) is introduced. The 2D-DCS codes are derived from the dynamic cyclic shift code for the spectral and spatial coding. The proposed system can fully eliminate the multiple access interference (MAI) by using the MAI cancellation property. The effect of shot noise, phase-induced intensity noise and thermal noise are used to analyze the code performance. In comparison with existing two dimensional (2D) codes, such as 2D perfect difference (2D-PD), 2D Extended Enhanced Double Weight (2D-Extended-EDW) and 2D hybrid (2D-FCC/MDW) codes, the numerical results show that our proposed codes have the best performance. By keeping the same code length and increasing the spatial code, the performance of our 2D-DCS system is enhanced: it provides higher data rates while using lower transmitted power and a smaller spectral width.

High-resolution quantization based on soliton self-frequency shift and spectral compression in a bi-directional comb-fiber architecture

NASA Astrophysics Data System (ADS)

Zhang, Xuyan; Zhang, Zhiyao; Wang, Shubing; Liang, Dong; Li, Heping; Liu, Yong

2018-03-01

We propose and demonstrate an approach that can achieve high-resolution quantization by employing soliton self-frequency shift and spectral compression. Our approach is based on a bi-directional comb-fiber architecture which is composed of a Sagnac-loop-based mirror and a comb-like combination of N sections of interleaved single-mode fibers and high nonlinear fibers. The Sagnac-loop-based mirror placed at the terminal of a bus line reflects the optical pulses back to the bus line to achieve additional N-stage spectral compression, thus single-stage soliton self-frequency shift (SSFS) and (2 N - 1)-stage spectral compression are realized in the bi-directional scheme. The fiber length in the architecture is numerically optimized, and the proposed quantization scheme is evaluated by both simulation and experiment in the case of N = 2. In the experiment, a quantization resolution of 6.2 bits is obtained, which is 1.2-bit higher than that of its uni-directional counterpart.

Improving spectral resolution in spatial encoding dimension of single-scan nuclear magnetic resonance 2D spin echo correlated spectroscopy

NASA Astrophysics Data System (ADS)

Lin, Liangjie; Wei, Zhiliang; Yang, Jian; Lin, Yanqin; Chen, Zhong

2014-11-01

The spatial encoding technique can be used to accelerate the acquisition of multi-dimensional nuclear magnetic resonance spectra. However, with this technique, we have to make trade-offs between the spectral width and the resolution in the spatial encoding dimension (F1 dimension), resulting in the difficulty of covering large spectral widths while preserving acceptable resolutions for spatial encoding spectra. In this study, a selective shifting method is proposed to overcome the aforementioned drawback. This method is capable of narrowing spectral widths and improving spectral resolutions in spatial encoding dimensions by selectively shifting certain peaks in spectra of the ultrafast version of spin echo correlated spectroscopy (UFSECSY). This method can also serve as a powerful tool to obtain high-resolution correlated spectra in inhomogeneous magnetic fields for its resistance to any inhomogeneity in the F1 dimension inherited from UFSECSY. Theoretical derivations and experiments have been carried out to demonstrate performances of the proposed method. Results show that the spectral width in spatial encoding dimension can be reduced by shortening distances between cross peaks and axial peaks with the proposed method and the expected resolution improvement can be achieved. Finally, the shifting-absent spectrum can be recovered readily by post-processing.

Coronagraphic Notch Filter for Raman Spectroscopy

NASA Technical Reports Server (NTRS)

Cohen, David; Stirbl, Robert

2004-01-01

A modified coronagraph has been proposed as a prototype of improved notch filters in Raman spectrometers. Coronagraphic notch filters could offer alternatives to both (1) the large and expensive double or triple monochromators in older Raman spectrometers and (2) holographic notch filters, which are less expensive but are subject to environmental degradation as well as to limitations of geometry and spectral range. Measurement of a Raman spectrum is an exercise in measuring and resolving faint spectral lines close to a bright peak: In Raman spectroscopy, a monochromatic beam of light (the pump beam) excites a sample of material that one seeks to analyze. The pump beam generates a small flux of scattered light at wavelengths slightly greater than that of the pump beam. The shift in wavelength of the scattered light from the pump wavelength is known in the art as the Stokes shift. Typically, the flux of scattered light is of the order of 10 7 that of the pump beam and the Stokes shift lies in the wave-number range of 100 to 3,000 cm 1. A notch filter can be used to suppress the pump-beam spectral peak while passing the nearby faint Raman spectral lines. The basic principles of design and operation of a coronagraph offer an opportunity for engineering the spectral transmittance of the optics in a Raman spectrometer. A classical coronagraph may be understood as two imaging systems placed end to end, such that the first system forms an intermediate real image of a nominally infinitely distant object and the second system forms a final real image of the intermediate real image. If the light incident on the first telescope is collimated, then the intermediate image is a point-spread function (PSF). If an appropriately tailored occulting spot (e.g., a Gaussian-apodized spot with maximum absorption on axis) is placed on the intermediate image plane, then the instrument inhibits transmission of light from an on-axis source. However, the PSFs of off-axis light sources are formed off axis - that is, away from the occulting spot - so that they become refocused onto the final image plane.

Fluorescence-based classification of Caribbean coral reef organisms and substrates

USGS Publications Warehouse

Zawada, David G.; Mazel, Charles H.

2014-01-01

A diverse group of coral reef organisms, representing several phyla, possess fluorescent pigments. We investigated the potential of using the characteristic fluorescence emission spectra of these pigments to enable unsupervised, optical classification of coral reef habitats. We compiled a library of characteristic fluorescence spectra through in situ and laboratory measurements from a variety of specimens throughout the Caribbean. Because fluorescent pigments are not species-specific, the spectral library is organized in terms of 15 functional groups. We investigated the spectral separability of the functional groups in terms of the number of wavebands required to distinguish between them, using the similarity measures Spectral Angle Mapper (SAM), Spectral Information Divergence (SID), SID-SAM mixed measure, and Mahalanobis distance. This set of measures represents geometric, stochastic, joint geometric-stochastic, and statistical approaches to classifying spectra. Our hyperspectral fluorescence data were used to generate sets of 4-, 6-, and 8-waveband spectra, including random variations in relative signal amplitude, spectral peak shifts, and water-column attenuation. Each set consisted of 2 different band definitions: ‘optimally-picked’ and ‘evenly-spaced.’ The optimally-picked wavebands were chosen to coincide with as many peaks as possible in the functional group spectra. Reference libraries were formed from half of the spectra in each set and used for training purposes. Average classification accuracies ranged from 76.3% for SAM with 4 evenly-spaced wavebands to 93.8% for Mahalanobis distance with 8 evenly-spaced wavebands. The Mahalanobis distance consistently outperformed the other measures. In a second test, empirically-measured spectra were classified using the same reference libraries and the Mahalanobis distance for just the 8 evenly-spaced waveband case. Average classification accuracies were 84% and 87%, corresponding to the extremes in modeled water-column attenuation. The classification results from both tests indicate that a high degree of separability among the 15 fluorescent-spectra functional groups is possible using only a modest number of spectral bands.

First pressure shift measurement of ozone molecular lines at 9.54 μm using a tunable quantum cascade laser

NASA Astrophysics Data System (ADS)

Minissale, Marco; Zanon-Willette, Thomas; Jeseck, Pascal; Boursier, Corinne; Janssen, Christof

2018-06-01

Using a free-running distributed-feedback quantum cascade laser (QCL) emitting at 9.54 μm, the pressure shift parameters of four intense rovibrational transitions in the ν3 fundamental band of ozone induced by oxygen (O2), air and the noble gases helium (He), argon (Ar), and xenon (Xe) are obtained by employing second harmonic detection. The experimental analysis comprises a full uncertainty budget and provides line shift data which are traceable to SI. The high density of transitions in the ν3 spectral region of ozone make this region particularly difficult to study with more commonly used techniques such as Fourier transform spectroscopy. The comparatively high spectral resolution of the QCL in the MHz range, on the contrary, allows to measure molecular shifts at relatively low pressures (from 2 to 70 hPa), thus reducing the impact of spectral congestion due to pressure broadening of molecular lines. The comparison of our results with published data shows that presently recommended values for the pressure shift are too low in this region. This observation is corroborated by semi-classical calculations using the Robert-Bonamy formalism. A slight negative J dependence, already observed in other ozone vibrational bands, is predicted. Systematic use of our technique could be very useful to support this hypothesis and to make up for the lack of shift parameters for ozone ν3 transitions in molecular spectral databases. A subsequent stabilization of the QCL onto an optical frequency comb will open up possibilities to perform metrological measurements of Doppler-free molecular lines.

High Pressure Sensing and Dynamics Using High Speed Fiber Bragg Grating Interrogation Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodriguez, G.; Sandberg, R. L.; Lalone, B. M.

2014-06-01

Fiber Bragg gratings (FBGs) are developing into useful sensing tools for measuring high pressure dynamics in extreme environments under shock loading conditions. Approaches using traditional diode array coupled FBG interrogation systems are often limited to readout speeds in the sub-MHz range. For shock wave physics, required detection speeds approaching 100 MHz are desired. We explore the use of two types of FBG sensing systems that are aimed at applying this technology as embedded high pressure probes for transient shock events. Both approaches measure time resolved spectral shifts in the return light from short (few mm long) uniform FBGs at 1550more » nm. In the first approach, we use a fiber coupled spectrometer to demultiplex spectral channels into an array (up to 12) of single element InGaAs photoreceivers. By monitoring the detectors during a shock impact event with high speed recording, we are able to track the pressure induced spectral shifting in FBG down to a time resolution of 20 ns. In the second approach, developed at the Special Technologies Lab, a coherent mode-locked fiber laser is used to illuminate the FBG sensor. After the sensor, wavelength-to-time mapping is accomplished with a chromatic dispersive element, and entire spectra are sampled using a single detector at the modelocked laser repetition rate of 50 MHz. By sampling with a 12 GHz InGaAs detector, direct wavelength mapping in time is recorded, and the pressure induced FBG spectral shift is sampled at 50 MHz. Here, the sensing systems are used to monitor the spectral shifts of FBGs that are immersed into liquid water and shock compressed using explosives. In this configuration, the gratings survive to pressures approaching 50 kbar. We describe both approaches and present the measured spectral shifts from the shock experiments.« less

An Externally Dispersed Interferometer for Sensitive Doppler Extrasolar Planet Searches

NASA Astrophysics Data System (ADS)

Ge, Jian; Erskine, David J.; Rushford, Mike

2002-09-01

A new kind of instrument for sensitive Doppler extrasolar planet searches, called an externally dispersed interferometer, is described in this paper. It is a combination of an optical Michelson-type interferometer and an intermediate-resolution grating spectrometer. The interferometer measures Doppler radial velocity (RV) variations of starlight through the phase shifts of moiré fringes, created by multiplication of the interferometer fringes with stellar absorption lines. The intermediate-resolution spectrograph disperses the moiré fringes into thousands of parallel-wavelength channels. This increases the instrument bandwidth and fringe visibility by preventing fringe cross-talk between neighboring spectral lines. This results in a net increase in the signal-to-noise ratio over an interferometer used alone with broadband light. Compared to current echelle spectrometers for extrasolar planet searches, this instrument offers two unique instrument properties: a simple, stable, well-defined sinusoidal instrument response function (point-spread function) and magnification of Doppler motion through moiré fringe techniques. Since instrument noise is chiefly limited by the ability to characterize the instrument response, this new technique provides unprecedented low instrumental noise in an economical compact apparatus, enabling higher precision for Doppler RV measurements. In practice, the moiré magnification can be 5-10 times depending on the interferometer comb angle. This instrument has better sensitivity for smaller Doppler shifts than echelle spectrometers. The instrument can be designed with much lower spectral resolving power without losing Doppler sensitivity and optimized for higher throughput than echelle spectrometers to allow a potential survey for planets around fainter stars than current magnitude limits. Lab-based experiments with a prototype instrument with a spectral resolution of R~20,000 demonstrated ~0.7 m s-1 precision for short-term RV measurements. A fiber-fed version of the prototype with R~5600 was tested with starlight at the Lick 1 m telescope and demonstrated ~7 m s-1 RV precision at 340 Å bandwidth. The increased velocity noise is attributed to the lower spectral resolution, lower fringe visibility, and uncontrolled instrument environment.

Fiber Bragg grating interrogation using wavelength modulated tunable distributed feedback lasers and a fiber-optic Mach-Zehnder interferometer.

PubMed

Roy, Anirban; Chakraborty, Arup Lal; Jha, Chandan Kumar

2017-04-20

This paper demonstrates a technique of high-resolution interrogation of two fiber Bragg gratings (FBGs) with flat-topped reflection spectra centered on 1649.55 nm and 1530.182 nm with narrow line width tunable semiconductor lasers emitting at 1651.93 nm and 1531.52 nm, respectively. The spectral shift of the reflection spectrum in response to temperature and strain is accurately measured with a fiber-optic Mach-Zehnder interferometer that has a free spectral range of 0.0523 GHz and a broadband photodetector. Laser wavelength modulation and harmonic detection techniques are used to transform the gentle edges of the flat-topped FBG into prominent leading and trailing peaks that are up to five times narrower than the FBG spectrum. Either of these peaks can be used to accurately measure spectral shifts of the FBG reflection spectrum with a resolution down to a value of 0.47 pm. A digital signal processing board is used to measure the temperature-induced spectral shifts over the range of 30°C-80°C and strain-induced spectral shifts from 0  μϵ to 12,000  μϵ. The shift is linear in both cases with a temperature sensitivity of 12.8 pm/°C and strain sensitivity of 0.12  pm/μϵ. The distinctive feature of this technique is that it does not use an optical spectrum analyzer at any stage of its design or operation. It can be readily extended to all types of tunable diode lasers and is ideally suited for compact field instruments and for biomedical applications in stroke rehabilitation monitoring.

Spectral diffusion in poly(para-phenylene)-type polymers with different energetic disorder

NASA Astrophysics Data System (ADS)

Hoffmann, Sebastian T.; Bässler, Heinz; Koenen, Jan-Moritz; Forster, Michael; Scherf, Ullrich; Scheler, Esther; Strohriegl, Peter; Köhler, Anna

2010-03-01

We have employed quasicontinuous fluorescence and phosphorescence spectroscopy within a temperature range between 10 and 500 K to monitor the spectral diffusion of singlet and triplet excitons in a series of π -conjugated polymers. We investigated (i) how spectral diffusion is controlled by the degree of energetic disorder present in the amorphous film (that is reflected by the inhomogeneous broadening of the photoluminescence spectra) and (ii) how this process depends on the range of the electronic coupling (by comparing singlet exciton diffusion via long-range Förster transfer against triplet exciton diffusion by short-range Dexter transfer). For singlets, we find that the fluorescence spectra bear out a bathochromic shift upon cooling the sample down to a critical temperature below which the shift saturates. This bathochromic shift is a signature of spectral relaxation. Random-walk theory applied to excitation transport within a Gaussian density-of-states distribution is both necessary and sufficient to rationalize the experimental results in a quantitative fashion. The same behavior is observed for triplets in weakly disordered systems, such as in a polymer containing platinum in the main chain and a ladder-type polyphenylene. In contrast we observe a hypsochromic shift of the phosphorescence spectra below a characteristic temperature for triplets in systems with at least moderate energetic disorder. The hypsochromic shift proves that triplet exciton relaxation becomes frustrated because thermally activated exciton jumps that otherwise promote spectral diffusion become progressively frozen out. The frustration effect is controlled by the jump distance and thus it is specific for triplet excitations that migrate via short-range coupling among strongly localized states as compared to singlet excitons.

ALA-mediated PDT of melanoma tumors: light-sensitizer interactions determined by a novel spectral imaging system

NASA Astrophysics Data System (ADS)

Malik, Zvi; Dishi, M.

1995-05-01

The subcellular localization of endogenous protoporphyrin (endo- PP) during photosensitization in B-16 melanoma cells was analyzed by a novel spectral imaging system, the SpectraCube 1000. The melanoma cells were incubated with 5-aminolevulinic acid (ALA), and then the fluorescence of endo-PP was recorded in individual living cells by three modes: conventional fluorescence imaging, multipixel point by point fluorescence spectroscopy, and image processing, by operating a function of spectral similarity mapping and reconstructing new images derived from spectral information. The fluorescence image of ALA-treated cells revealed vesicular distribution of endo-PP all over the cytosol, with mitochondrial, lysosomal, as well as endoplasmic reticulum cisternael accumulation. Two main spectral fluorescence peaks were demonstrated at 635 and 705 nm, with intensities that differed from one subcellular site to another. Photoirradiation of the cells included point-specific subcellular fluorescence spectrum changes and demonstrated photoproduct formation. Spectral image reconstruction revealed the local distribution of a chosen spectrum in the photosensitized cells. On the other hand, B 16 cells treated with exogenous protoporphyrin (exo-PP) showed a dominant fluorescence peak at 670 nm and a minor peak at 630 nm. Fluorescence was localized at a perinuclear=Golgi region. Light exposure induced photobleaching and photoproduct-spectral changes followed by relocalization. The new localization at subcellular compartments showed pH dependent spectral shifts and photoproduct formation on a subcellular level.

Characterization of spatial and spectral resolution of a rotating prism chromotomographic hyperspectral imager

NASA Astrophysics Data System (ADS)

Bostick, Randall L.; Perram, Glen P.; Tuttle, Ronald

2009-05-01

The Air Force Institute of Technology (AFIT) has built a rotating prism chromotomographic hyperspectral imager (CTI) with the goal of extending the technology to exploit spatially extended sources with quickly varying (> 10 Hz) phenomenology, such as bomb detonations and muzzle flashes. This technology collects successive frames of 2-D data dispersed at different angles multiplexing spatial and spectral information which can then be used to reconstruct any arbitrary spectral plane(s). In this paper, the design of the AFIT instrument is described and then tested against a spectral target with near point source spatial characteristics to measure spectral and spatial resolution. It will be shown that, in theory, the spectral and spatial resolution in the 3-D spectral image cube is the nearly the same as a simple prism spectrograph with the same design. However, error in the knowledge of the prism linear dispersion at the detector array as a function of wavelength and projection angle will degrade resolution without further corrections. With minimal correction for error and use of a simple shift-and-add reconstruction algorithm, the CTI is able to produce a spatial resolution of about 2 mm in the object plane (234 μrad IFOV) and is limited by chromatic aberration. A spectral resolution of less than 1nm at shorter wavelengths is shown, limited primarily by prism dispersion.

Two-step phase-shifting SPIDER

NASA Astrophysics Data System (ADS)

Zheng, Shuiqin; Cai, Yi; Pan, Xinjian; Zeng, Xuanke; Li, Jingzhen; Li, Ying; Zhu, Tianlong; Lin, Qinggang; Xu, Shixiang

2016-09-01

Comprehensive characterization of ultrafast optical field is critical for ultrashort pulse generation and its application. This paper combines two-step phase-shifting (TSPS) into the spectral phase interferometry for direct electric-field reconstruction (SPIDER) to improve the reconstruction of ultrafast optical-fields. This novel SPIDER can remove experimentally the dc portion occurring in traditional SPIDER method by recording two spectral interferograms with π phase-shifting. As a result, the reconstructed results are much less disturbed by the time delay between the test pulse replicas and the temporal widths of the filter window, thus more reliable. What is more, this SPIDER can work efficiently even the time delay is so small or the measured bandwidth is so narrow that strong overlap happens between the dc and ac portions, which allows it to be able to characterize the test pulses with complicated temporal/spectral structures or narrow bandwidths.

Effect of waist diameter and twist on tapered asymmetrical dual-core fiber MZI filter.

PubMed

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

2015-10-01

A compact in-fiber Mach-Zehnder interferometer (MZI) filter fabricated from custom-designed asymmetrical dual-core fiber is numerically analyzed in detail and experimentally verified. The asymmetrical dual-core fiber has core diameters and a core pitch of 6.9, 6, and 19.9 μm, respectively. The fiber tapering technique is introduced to fuse the originally uncoupled cores into strong coupling tapered regions. The length and diameter of the waist region have a close impact on the splitting ratio, which further affects the spectral properties of the MZI filter. The field evolution with varied waist parameters is characterized by the finite element method and beam propagation method. Repeatable comb filters with ∼15  dB extinction ratio are successfully achieved under the guidance of simulated optimum conditions. The twist-induced circular birefringence gives rise to a retardance that causes the spectral shifts of the MZI filter. The theoretical and experimental results confirm that the relative wavelength shift is proportional to the retardance, which follows a sinc function in the limit of a large twist rate.

MetaboID: a graphical user interface package for assignment of 1H NMR spectra of bodyfluids and tissues.

PubMed

MacKinnon, Neil; Somashekar, Bagganahalli S; Tripathi, Pratima; Ge, Wencheng; Rajendiran, Thekkelnaycke M; Chinnaiyan, Arul M; Ramamoorthy, Ayyalusamy

2013-01-01

Nuclear magnetic resonance based measurements of small molecule mixtures continues to be confronted with the challenge of spectral assignment. While multi-dimensional experiments are capable of addressing this challenge, the imposed time constraint becomes prohibitive, particularly with the large sample sets commonly encountered in metabolomic studies. Thus, one-dimensional spectral assignment is routinely performed, guided by two-dimensional experiments on a selected sample subset; however, a publicly available graphical interface for aiding in this process is currently unavailable. We have collected spectral information for 360 unique compounds from publicly available databases including chemical shift lists and authentic full resolution spectra, supplemented with spectral information for 25 compounds collected in-house at a proton NMR frequency of 900 MHz. This library serves as the basis for MetaboID, a Matlab-based user interface designed to aid in the one-dimensional spectral assignment process. The tools of MetaboID were built to guide resonance assignment in order of increasing confidence, starting from cursory compound searches based on chemical shift positions to analysis of authentic spike experiments. Together, these tools streamline the often repetitive task of spectral assignment. The overarching goal of the integrated toolbox of MetaboID is to centralize the one dimensional spectral assignment process, from providing access to large chemical shift libraries to providing a straightforward, intuitive means of spectral comparison. Such a toolbox is expected to be attractive to both experienced and new metabolomic researchers as well as general complex mixture analysts. Copyright © 2012 Elsevier Inc. All rights reserved.

Exploiting chromatic aberration to spectrally encode depth in reflectance confocal microscopy

NASA Astrophysics Data System (ADS)

Carrasco-Zevallos, Oscar; Shelton, Ryan L.; Olsovsky, Cory; Saldua, Meagan; Applegate, Brian E.; Maitland, Kristen C.

2011-06-01

We present chromatic confocal microscopy as a technique to axially scan the sample by spectrally encoding depth information to avoid mechanical scanning of the lens or sample. We have achieved an 800 μm focal shift over a range of 680-1080 nm using a hyperchromat lens as the imaging lens. A more complex system that incorporates a water immersion objective to improve axial resolution was built and tested. We determined that increasing objective magnification decreases chromatic shift while improving axial resolution. Furthermore, collimating after the hyperchromat at longer wavelengths yields an increase in focal shift.

Role of a Helix B Lysine Residue in the Photoactive Site in Channelrhodopsins

PubMed Central

Li, Hai; Govorunova, Elena G.; Sineshchekov, Oleg A.; Spudich, John L.

2014-01-01

In most studied microbial rhodopsins two conserved carboxylic acid residues (the homologs of Asp-85 and Asp-212 in bacteriorhodopsin) and an arginine residue (the homolog of Arg-82) form a complex counterion to the protonated retinylidene Schiff base, and neutralization of the negatively charged carboxylates causes red shifts of the absorption maximum. In contrast, the corresponding neutralizing mutations in some relatively low-efficiency channelrhodopsins (ChRs) result in blue shifts. These ChRs do not contain a lysine residue in the second helix, conserved in higher efficiency ChRs (Lys-132 in the crystallized ChR chimera). By action spectroscopy of photoinduced channel currents in HEK293 cells and absorption spectroscopy of detergent-purified pigments, we found that in tested ChRs the Lys-132 homolog controls the direction of spectral shifts in the mutants of the photoactive site carboxylic acid residues. Analysis of double mutants shows that red spectral shifts occur when this Lys is present, whether naturally or by mutagenesis, and blue shifts occur when it is replaced with a neutral residue. A neutralizing mutation of the Lys-132 homolog alone caused a red spectral shift in high-efficiency ChRs, whereas its introduction into low-efficiency ChR1 from Chlamydomonas augustae (CaChR1) caused a blue shift. Taking into account that the effective charge of the carboxylic acid residues is a key factor in microbial rhodopsin spectral tuning, these findings suggest that the Lys-132 homolog modulates their pKa values. On the other hand, mutation of the Arg-82 homolog that fulfills this role in bacteriorhodopsin caused minimal spectral changes in the tested ChRs. Titration revealed that the pKa of the Asp-85 homolog in CaChR1 lies in the alkaline region unlike in most studied microbial rhodopsins, but is substantially decreased by introduction of a Lys-132 homolog or neutralizing mutation of the Asp-212 homolog. In the three ChRs tested the Lys-132 homolog also alters channel current kinetics. PMID:24739160

Silicon nanoparticle-functionalized fiberglass pads for sampling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mantey, Kevin; Nayfeh, Munir H.; Al-Hreish, Bahjat

2011-03-15

We used wet treatment to immobilize luminescent silicon nanoparticles on industrial glass fibers to impart optical and chemical functions to the fiber. Carpets or pads consisting of thousands of fibers are processed in parallel, enhancing the sensitivity of detection and the sampled volume. Treated pads exhibit strong luminescence, characteristic of the luminescence of the particles; showing no shift, broadening, or reduction of quantum efficiency. We demonstrate that drawing material by the pad due to physical adsorption can be reversed. We also demonstrate that allylamine can be covalently attached by photoinduced irradiation reactions, which results in imprinting the amine emission spectrum,more » providing spectral recognition. The imprint accompanied with a blue-shifting of the luminescence spectrum of the probe, allowing examination of the effect of termination on the nanoparticle structure. The shift is found to be consistent with an increase in the bandgap of the Si nanoparticle and is consistent with Quantum Monte Carlo calculations. In addition to sampling, the nano probe pad has the potential to enable a variety of biomedical applications through subsequent attachment.« less

Impulsive Raman spectroscopy via precision measurement of frequency shift with low energy excitation.

PubMed

Raanan, Dekel; Ren, Liqing; Oron, Dan; Silberberg, Yaron

2018-02-01

Stimulated Raman scattering (SRS) has recently become useful for chemically selective bioimaging. It is usually measured via modulation transfer from the pump beam to the Stokes beam. Impulsive stimulated Raman spectroscopy, on the other hand, relies on the spectral shift of ultrashort pulses as they propagate in a Raman active sample. This method was considered impractical with low energy pulses since the observed shifts are very small compared to the excitation pulse bandwidth, spanning many terahertz. Here we present a new apparatus, using tools borrowed from the field of precision measurement, for the detection of low-frequency Raman lines via stimulated-Raman-scattering-induced spectral shifts. This method does not require any spectral filtration and is therefore an excellent candidate to resolve low-lying Raman lines (<200  cm -1 ), which are commonly masked by the strong Rayleigh scattering peak. Having the advantage of the high repetition rate of the ultrafast oscillator, we reduce the noise level by implementing a lock-in detection scheme with a wavelength shift sensitivity well below 100 fm. This is demonstrated by the measurement of low-frequency Raman lines of various liquid samples.

Temperature Dependence in the Terahertz Spectrum of Nicotinamide: Anharmonicity and Hydrogen-Bonded Network.

PubMed

Takahashi, Masae; Okamura, Nubuyuki; Fan, Xinyi; Shirakawa, Hitoshi; Minamide, Hiroaki

2017-04-06

We have investigated the terahertz-spectral property of nicotinamide focusing on the temperature dependence in the range of 14-300 K. We observed that almost all peaks in the terahertz spectrum of the nicotinamide crystal showed a remarkable shift with temperature, whereas the lowest-frequency peak at 34.8 cm -1 showed a negligible shift with temperature. By analyzing the terahertz spectrum with the dispersion-corrected density functional theory calculations, we found that the difference in the temperature dependence of the peak shift is well understood in terms of the presence/absence of stretching vibration of the intermolecular hydrogen bond in the mode and the change of cell parameters. The anharmonicity in the dissociation potential energy of very weak intermolecular hydrogen bonding causes the remarkable peak shift with temperature in the terahertz spectrum of nicotinamide. This finding suggests that the assignment and identification of peaks in the terahertz spectrum are systematically enabled by temperature-dependent measurements.

Nuclear spin relaxation due to chemical shift anisotropy of gas-phase 129Xe.

PubMed

Hanni, Matti; Lantto, Perttu; Vaara, Juha

2011-08-14

Nuclear spin relaxation provides detailed dynamical information on molecular systems and materials. Here, first-principles modeling of the chemical shift anisotropy (CSA) relaxation time for the prototypic monoatomic (129)Xe gas is carried out, both complementing and predicting the results of NMR measurements. Our approach is based on molecular dynamics simulations combined with pre-parametrized ab initio binary nuclear shielding tensors, an "NMR force field". By using the Redfield relaxation formalism, the simulated CSA time correlation functions lead to spectral density functions that, for the first time, quantitatively determine the experimental spin-lattice relaxation times T(1). The quality requirements on both the Xe-Xe interaction potential and binary shielding tensor are investigated in the context of CSA T(1). Persistent dimers Xe(2) are found to be responsible for the CSA relaxation mechanism in the low-density limit of the gas, completely in line with the earlier experimental findings.

An approach to estimate spatial distribution of analyte within cells using spectrally-resolved fluorescence microscopy.

PubMed

Sharma, Dharmendar Kumar; Irfanullah, Mir; Basu, Santanu Kumar; Madhu, Sheri; De, Suman; Jadhav, Sameer; Ravikanth, Mangalampalli; Chowdhury, Arindam

2017-01-18

While fluorescence microscopy has become an essential tool amongst chemists and biologists for the detection of various analyte within cellular environments, non-uniform spatial distribution of sensors within cells often restricts extraction of reliable information on relative abundance of analytes in different subcellular regions. As an alternative to existing sensing methodologies such as ratiometric or FRET imaging, where relative proportion of analyte with respect to the sensor can be obtained within cells, we propose a methodology using spectrally-resolved fluorescence microscopy, via which both the relative abundance of sensor as well as their relative proportion with respect to the analyte can be simultaneously extracted for local subcellular regions. This method is exemplified using a BODIPY sensor, capable of detecting mercury ions within cellular environments, characterized by spectral blue-shift and concurrent enhancement of emission intensity. Spectral emission envelopes collected from sub-microscopic regions allowed us to compare the shift in transition energies as well as integrated emission intensities within various intracellular regions. Construction of a 2D scatter plot using spectral shifts and emission intensities, which depend on the relative amount of analyte with respect to sensor and the approximate local amounts of the probe, respectively, enabled qualitative extraction of relative abundance of analyte in various local regions within a single cell as well as amongst different cells. Although the comparisons remain semi-quantitative, this approach involving analysis of multiple spectral parameters opens up an alternative way to extract spatial distribution of analyte in heterogeneous systems. The proposed method would be especially relevant for fluorescent probes that undergo relatively nominal shift in transition energies compared to their emission bandwidths, which often restricts their usage for quantitative ratiometric imaging in cellular media due to strong cross-talk between energetically separated detection channels.

An approach to estimate spatial distribution of analyte within cells using spectrally-resolved fluorescence microscopy

NASA Astrophysics Data System (ADS)

Sharma, Dharmendar Kumar; Irfanullah, Mir; Basu, Santanu Kumar; Madhu, Sheri; De, Suman; Jadhav, Sameer; Ravikanth, Mangalampalli; Chowdhury, Arindam

2017-03-01

While fluorescence microscopy has become an essential tool amongst chemists and biologists for the detection of various analyte within cellular environments, non-uniform spatial distribution of sensors within cells often restricts extraction of reliable information on relative abundance of analytes in different subcellular regions. As an alternative to existing sensing methodologies such as ratiometric or FRET imaging, where relative proportion of analyte with respect to the sensor can be obtained within cells, we propose a methodology using spectrally-resolved fluorescence microscopy, via which both the relative abundance of sensor as well as their relative proportion with respect to the analyte can be simultaneously extracted for local subcellular regions. This method is exemplified using a BODIPY sensor, capable of detecting mercury ions within cellular environments, characterized by spectral blue-shift and concurrent enhancement of emission intensity. Spectral emission envelopes collected from sub-microscopic regions allowed us to compare the shift in transition energies as well as integrated emission intensities within various intracellular regions. Construction of a 2D scatter plot using spectral shifts and emission intensities, which depend on the relative amount of analyte with respect to sensor and the approximate local amounts of the probe, respectively, enabled qualitative extraction of relative abundance of analyte in various local regions within a single cell as well as amongst different cells. Although the comparisons remain semi-quantitative, this approach involving analysis of multiple spectral parameters opens up an alternative way to extract spatial distribution of analyte in heterogeneous systems. The proposed method would be especially relevant for fluorescent probes that undergo relatively nominal shift in transition energies compared to their emission bandwidths, which often restricts their usage for quantitative ratiometric imaging in cellular media due to strong cross-talk between energetically separated detection channels. Dedicated to Professor Kankan Bhattacharyya.

Spectral changes in the zenith skylight during total solar eclipses.

PubMed

Hall, W N

1971-06-01

The relative spectral intensity of the zenith sky was measured with an optical scanning spectrometer at Nantucket Island, Massachusetts, during the total solar eclipse of 7 March 1970. The spectral ratios I(5100 A)/I(4300 A) and I(5900 A)/I(5100 A) at Nantucket remained unchanged for 96% or less obscuration of the sun by the moon. The results are compared with other recent relative spectral intensity measurements made during total solar eclipses. Comparison with other eclipse measurements for solar elevation angle at totality less than 45 degrees shows a blue color shift consistent with rayleigh scattering. Eclipses with solar elevation angles at totality greater than 45 degrees do not show consistent color shifts. This inconsistency may be due to difficulty in establishing a suitable reference spectrum for comparison with the spectral distribution of the zenith sky at totality. Selection of a suitable reference spectrum is discussed.

Photospheres of hot stars. IV - Spectral type O4

NASA Technical Reports Server (NTRS)

Bohannan, Bruce; Abbott, David C.; Voels, Stephen A.; Hummer, David G.

1990-01-01

The basic stellar parameters of a supergiant (Zeta Pup) and two main-sequence stars, 9 Sgr and HD 46223, at spectral class O4 are determined using line profile analysis. The stellar parameters are determined by comparing high signal-to-noise hydrogen and helium line profiles with those from stellar atmosphere models which include the effect of radiation scattered back onto the photosphere from an overlying stellar wind, an effect referred to as wind blanketing. At spectral class O4, the inclusion of wind-blanketing in the model atmosphere reduces the effective temperature by an average of 10 percent. This shift in effective temperature is also reflected by shifts in several other stellar parameters relative to previous O4 spectral-type calibrations. It is also shown through the analysis of the two O4 V stars that scatter in spectral type calibrations is introduced by assuming that the observed line profile reflects the photospheric stellar parameters.

Constraining hot Jupiter’s atmospheric structure and dynamics through Doppler shifted emission spectra

NASA Astrophysics Data System (ADS)

Zhang, Jisheng; Kempton, Eliza; Rauscher, Emily

2017-01-01

In recent years, astronomers have begun successfully observing the atmospheres of extrasolar planets using ground-based telescopes equipped with spectrographs capable of observing at high spectral resolution (R~105). Such studies are capable of diagnosing the atmospheric structure, composition, and dynamics (winds and rotation) of both transiting and non-transiting exoplanets. However, few studies have examined how the 3-D atmospheric dynamics could alter the emitted light of hot Jupiters at such high spectral resolution. Here, we present a model to explore such influence on the hot Jupiters’ thermal emission spectra. Our aim is to investigate the extent to which the effects of 3-D atmospheric dynamics are imprinted on planet-averaged thermal emission spectra. We couple together a 3-D general circulation model of hot Jupiter atmospheric dynamics (Rauscher & Menou, 2012) with a radiative transfer solver to predict the planet’s disk-integrated emission spectrum as a function of its orbital phase. For the first time, we self-consistently include the effects of the line-of-sight atmospheric motions (resulting from winds and rotation) in the calculation to produce Doppler-shifted spectral line profiles that result from the atmospheric dynamics. We focus our study on three benchmark hot Jupiters, HD 189733b, HD 209458b, and WASP-43b which have been the focus of previous detailed observational studies. We find that the high-resolution Doppler shifted thermal emission spectra can be used to diagnose key properties of the dynamical atmosphere - the planet’s longitudinal temperature and wind structure, and its rotation rate.

Pulmonary-impedance power spectral analysis: A facile means of detecting radiation-induced gastrointestinal distress and performance decrement in man

NASA Technical Reports Server (NTRS)

Rick, R. C.; Lushbaugh, C. C.; Mcdow, E.; Frome, E.

1972-01-01

Changes in respiratory variance revealed by power spectral analysis of the pulmonary impedance pneumogram can be used to detect and measure stresses directly or indirectly affecting human respiratory function. When gastrointestinal distress occurred during a series of 5 total-body exposures of 30 R at a rate of 1.5 R/min, it was accompanied by typical shifts in pulmonary impedance power spectra. These changes did not occur after protracted exposure of 250 R (30 R daily) at 1.5 R/hr that failed to cause radiation sickness. This system for quantitating respiratory effort can also be used to detect alterations in one's ability to perform under controlled exercise conditions.

A parametric multiclass Bayes error estimator for the multispectral scanner spatial model performance evaluation

NASA Technical Reports Server (NTRS)

Mobasseri, B. G.; Mcgillem, C. D.; Anuta, P. E. (Principal Investigator)

1978-01-01

The author has identified the following significant results. The probability of correct classification of various populations in data was defined as the primary performance index. The multispectral data being of multiclass nature as well, required a Bayes error estimation procedure that was dependent on a set of class statistics alone. The classification error was expressed in terms of an N dimensional integral, where N was the dimensionality of the feature space. The multispectral scanner spatial model was represented by a linear shift, invariant multiple, port system where the N spectral bands comprised the input processes. The scanner characteristic function, the relationship governing the transformation of the input spatial, and hence, spectral correlation matrices through the systems, was developed.

Stimulated concentration (diffusion) light scattering on nanoparticles in a liquid suspension

NASA Astrophysics Data System (ADS)

Burkhanov, I. S.; Krivokhizha, S. V.; Chaikov, L. L.

2016-06-01

A nonlinear growth of the light scattering intensity has been observed and the frequency shift of the spectral line of scattered light has been measured in light backscattered in suspensions of diamond and latex nanoparticles in water. The shift corresponds to the HWHM of the line of spontaneous scattering on particles. We may conclude that there exists stimulated concentration (diffusion) light scattering on variations of the particle concentration, which is also called the stimulated Mie scattering. In a fibre probe scheme, the growth of the shift of the scattered spectral line is observed with an increase in the exciting beam power. The variation of the frequency shift with an increase in the exciting power is explained by convection in liquid.

On shifted Jacobi spectral method for high-order multi-point boundary value problems

NASA Astrophysics Data System (ADS)

Doha, E. H.; Bhrawy, A. H.; Hafez, R. M.

2012-10-01

This paper reports a spectral tau method for numerically solving multi-point boundary value problems (BVPs) of linear high-order ordinary differential equations. The construction of the shifted Jacobi tau approximation is based on conventional differentiation. This use of differentiation allows the imposition of the governing equation at the whole set of grid points and the straight forward implementation of multiple boundary conditions. Extension of the tau method for high-order multi-point BVPs with variable coefficients is treated using the shifted Jacobi Gauss-Lobatto quadrature. Shifted Jacobi collocation method is developed for solving nonlinear high-order multi-point BVPs. The performance of the proposed methods is investigated by considering several examples. Accurate results and high convergence rates are achieved.

On spectral synthesis on element-wise compact Abelian groups

NASA Astrophysics Data System (ADS)

Platonov, S. S.

2015-08-01

Let G be an arbitrary locally compact Abelian group and let C(G) be the space of all continuous complex-valued functions on G. A closed linear subspace \\mathscr H\\subseteq C(G) is referred to as an invariant subspace if it is invariant with respect to the shifts τ_y\\colon f(x)\\mapsto f(xy), y\\in G. By definition, an invariant subspace \\mathscr H\\subseteq C(G) admits strict spectral synthesis if \\mathscr H coincides with the closure in C(G) of the linear span of all characters of G belonging to \\mathscr H. We say that strict spectral synthesis holds in the space C(G) on G if every invariant subspace \\mathscr H\\subseteq C(G) admits strict spectral synthesis. An element x of a topological group G is said to be compact if x is contained in some compact subgroup of G. A group G is said to be element-wise compact if all elements of G are compact. The main result of the paper is the proof of the fact that strict spectral synthesis holds in C(G) for a locally compact Abelian group G if and only if G is element-wise compact. Bibliography: 14 titles.

Kerogen maturation and incipient graphitization of hydrocarbon source rocks in the Arkoma Basin, Oklahoma and Arkansas: A combined petrographic and Raman spectrometric study

USGS Publications Warehouse

Spotl, C.; Houseknecht, D.W.; Jaques, R.C.

1998-01-01

Dispersed kerogen of the Woodford-Chattanooga and Atoka Formations from the subsurface of the Arkoma Basin show a wide range of thermal maturities (0.38 to 6.1% R(o)) indicating thermal conditions ranging from diagenesis to incipient rock metamorphism. Raman spectral analysis reveals systematic changes of both the first- and second-order spectrum with increasing thermal maturity. These changes include a pronounced increase in the D/O peak height ratio accompanied by a narrowing of the D peak, a gradual decrease in the D/O peak width ratio, and a shift of both peaks toward higher wave numbers. Second-order Raman peaks, though less intensive, also show systematic peak shifting as a function of R(o). These empirical results underscore the high potential of Raman spectrometry as a fast and reliable geothermometer of mature to supermature hydrocarbon source rocks, and as an indicator of thermal maturity levels within the anchizone.Dispersed kerogen of the Woodford-Chattanooga and Atoka Formations from the subsurface of the Arkoma Basin show a wide range of thermal maturities (0.38 to 6.1% Ro) indicating thermal conditions ranging from diagenesis to incipient rock metamorphism. Raman spectral analysis reveals systematic changes of both the first- and second-order spectrum with increasing thermal maturity. These changes include a pronounced increase in the D/O peak height ratio accompanied by a narrowing of the D peak, a gradual decrease in the D/O peak width ratio, and a shift of both peaks toward higher wave numbers. Second-order Raman peaks, though less intensive, also show systematic peak shifting as a function of Ro. These empirical results underscore the high potential of Raman spectrometry as a fast and reliable geothermometer of mature to supermature hydrocarbon source rocks, and as an indicator of thermal maturity levels within the anchizone.

Effects of 946-nm thermal shift and broadening on Nd3+:YAG laser performance

NASA Astrophysics Data System (ADS)

Seyed Ebrahim, Pourmand; Ghasem, Rezaei

2015-12-01

Spectroscopic properties of flashlamp pumped Nd3+:YAG laser are studied as a function of temperature in a range from -30 °C to 60 °C. The spectral width and shift of quasi three-level 946.0-nm inter-Stark emission within the respective intermanifold transitions of 4F3/2 → 4I9/2 are investigated. The 946.0-nm line shifts toward the shorter wavelength and broadens. In addition, the threshold power and slope efficiency of the 946.0-nm laser line are quantified with temperature. The lower the temperature, the lower the threshold power is and the higher the slope efficiency of the 946.0-nm laser line is, thus the higher the laser output is. This phenomenon is attributed to the ion-phonon interaction and the thermal population in the ground state. Project supported by Estahban Branch, Islamic Azad University.

Spectral and physicochemical properties of difluoroboranyls containing N,N-dimethylamino group studied by solvatochromic methods

NASA Astrophysics Data System (ADS)

Jędrzejewska, Beata; Grabarz, Anna; Bartkowiak, Wojciech; Ośmiałowski, Borys

2018-06-01

The solvatochromism of the dyes was analyzed based on the four-parameter scale including: polarizability (SP), dipolarity (SdP), acidity (SA) and basicity (SB) parameters by method proposed by Catalán. The change of solvent to more polar caused the red shift of absorption and fluorescence band position. The frequency shifts manifest the change in the dipole moment upon excitation. The ground-state dipole moment of the difluoroboranyls was estimated based on changes in molecular polarization with temperature. Moreover, the Stokes shifts were used to calculate the excited state dipole moments of the dyes. For the calculation, the ground-state dipole moments and Onsager cavity radius were also determined theoretically using density functional theory (DFT). The experimentally determined excited-state dipole moments for the compounds are higher than the corresponding ground-state values. The increase in the dipole moment is described in terms of the nature of the excited state.

Cross-phase modulation spectral shifting: nonlinear phase contrast in a pump-probe microscope

PubMed Central

Wilson, Jesse W.; Samineni, Prathyush; Warren, Warren S.; Fischer, Martin C.

2012-01-01

Microscopy with nonlinear phase contrast is achieved by a simple modification to a nonlinear pump-probe microscope. The technique measures cross-phase modulation by detecting a pump-induced spectral shift in the probe pulse. Images with nonlinear phase contrast are acquired both in transparent and absorptive media. In paraffin-embedded biopsy sections, cross-phase modulation complements the chemically-specific pump-probe images with structural context. PMID:22567580

Frequency Correction for MIRO Chirp Transformation Spectroscopy Spectrum

NASA Technical Reports Server (NTRS)

Lee, Seungwon

2012-01-01

This software processes the flyby spectra of the Chirp Transform Spectrometer (CTS) of the Microwave Instrument for Rosetta Orbiter (MIRO). The tool corrects the effect of Doppler shift and local-oscillator (LO) frequency shift during the flyby mode of MIRO operations. The frequency correction for CTS flyby spectra is performed and is integrated with multiple spectra into a high signal-to-noise averaged spectrum at the rest-frame RF frequency. This innovation also generates the 8 molecular line spectra by dividing continuous 4,096-channel CTS spectra. The 8 line spectra can then be readily used for scientific investigations. A spectral line that is at its rest frequency in the frame of the Earth or an asteroid will be observed with a time-varying Doppler shift as seen by MIRO. The frequency shift is toward the higher RF frequencies on approach, and toward lower RF frequencies on departure. The magnitude of the shift depends on the flyby velocity. The result of time-varying Doppler shift is that of an observed spectral line will be seen to move from channel to channel in the CTS spectrometer. The direction (higher or lower frequency) in the spectrometer depends on the spectral line frequency under consideration. In order to analyze the flyby spectra, two steps are required. First, individual spectra must be corrected for the Doppler shift so that individual spectra can be superimposed at the same rest frequency for integration purposes. Second, a correction needs to be applied to the CTS spectra to account for the LO frequency shifts that are applied to asteroid mode.

An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV-Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure

NASA Astrophysics Data System (ADS)

Uludağ, Nesimi; Serdaroğlu, Goncagül

2018-03-01

This study examines the synthesis of azocino[4,3-b]indole structure, which constitutes the tetracyclic framework of uleine, dasycarpidoneand tubifolidineas well as ABDE substructure of the strychnosalkaloid family. It has been synthesized by Fischer indolization of 2 and through the cylization of 4 by 2,3-dichlor-5-6-dicyanobenzoquinone (DDQ). 1H and 1C NMR chemical shifts have been predicted with GIAO approach and the calculated chemical shifts show very good agreement with observed shifts. FT-IR spectroscopy is important for the analysis of functional groups of synthesized compounds and we also supported FT-IR vibrational analysis with computational IR analysis. The vibrational spectral analysis was performed at B3LYP level of the theory in both the gas and the water phases and it was compared with the observed IR values for the important functional groups. The DFT calculations have been conducted to determine the most stable structure of the 1,2,3,4,5,6,7-Hexahydro-1,5-methanoazocino [4,3-b] indole (5). The Frontier Molecular Orbital Analysis, quantum chemical parameters, physicochemical properties have been predicted by using the same theory of level in both gas phase and the water phase, at 631 + g** and 6311++g** basis sets. TD- DFT calculations have been performed to predict the UV- Vis spectral analysis for this synthesized molecule. The Natural Bond Orbital (NBO) analysis have been performed at B3LYP level of theory to elucidate the intra-molecular interactions such as electron delocalization and conjugative interactions. NLO calculations were conducted to obtain the electric dipole moment and polarizability of the title compound.

Audiovisual Cues and Perceptual Learning of Spectrally Distorted Speech

ERIC Educational Resources Information Center

Pilling, Michael; Thomas, Sharon

2011-01-01

Two experiments investigate the effectiveness of audiovisual (AV) speech cues (cues derived from both seeing and hearing a talker speak) in facilitating perceptual learning of spectrally distorted speech. Speech was distorted through an eight channel noise-vocoder which shifted the spectral envelope of the speech signal to simulate the properties…

Perceptual “vowel spaces” of cochlear implant users: Implications for the study of auditory adaptation to spectral shift

PubMed Central

Harnsberger, James D.; Svirsky, Mario A.; Kaiser, Adam R.; Pisoni, David B.; Wright, Richard; Meyer, Ted A.

2012-01-01

Cochlear implant (CI) users differ in their ability to perceive and recognize speech sounds. Two possible reasons for such individual differences may lie in their ability to discriminate formant frequencies or to adapt to the spectrally shifted information presented by cochlear implants, a basalward shift related to the implant’s depth of insertion in the cochlea. In the present study, we examined these two alternatives using a method-of-adjustment (MOA) procedure with 330 synthetic vowel stimuli varying in F1 and F2 that were arranged in a two-dimensional grid. Subjects were asked to label the synthetic stimuli that matched ten monophthongal vowels in visually presented words. Subjects then provided goodness ratings for the stimuli they had chosen. The subjects’ responses to all ten vowels were used to construct individual perceptual “vowel spaces.” If CI users fail to adapt completely to the basalward spectral shift, then the formant frequencies of their vowel categories should be shifted lower in both F1 and F2. However, with one exception, no systematic shifts were observed in the vowel spaces of CI users. Instead, the vowel spaces differed from one another in the relative size of their vowel categories. The results suggest that differences in formant frequency discrimination may account for the individual differences in vowel perception observed in cochlear implant users. PMID:11386565

On The Stark Shift of Ar II 472.68 nm Spectral Line

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mijatovic, Z.; Gajo, T.; Vujicic, B.

The Stark shift of Ar II 472.68 nm (transition 4s2P - 4p2D deg. ) spectral lines emitted from T-tube plasmas was considered. The electron density ranged from (1.63-2.2){center_dot}1023 m-3 and was determined using laser interferometry. The plasma temperature, derived from the Gaussian part of recorded line profiles was found to be in the range (15000-43300) K. Experimental shifts were compared to theoretical values obtained from the semiempirical formula [M. S. Dimitrijevic and N. Konjevic, J. Quant. Spectrosc. Radiat. Transfer 24, 451 (1980)]. This comparison showed good agreement between experimental results and theory.

Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water.

PubMed

P, Sudheer Kumar; Genova, Alessandro; Pavanello, Michele

2017-10-19

The optical spectrum of liquid water is analyzed by subsystem time-dependent density functional theory. We provide simple explanations for several important (and so far elusive) features. Due to the disordered environment surrounding each water molecule, the joint density of states of the liquid is much broader than that of the vapor, thus explaining the red-shifted Urbach tail of the liquid compared to the gas phase. Confinement effects provided by the first solvation shell are responsible for the blue shift of the first absorption peak compared to the vapor. In addition, we also characterize many-body excitonic effects. These dramatically affect the spectral weights at low frequencies, contributing to the refractive index by a small but significant amount.

Distribution of mean Doppler shift, spectral width, and skewness of coherent 50-MHz auroral radar backscatter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watermann, J.; McNamara, A.G.; Sofko, G.J.

Some 7,700 radio aurora spectra obtained from a six link 50-MHz CW radar network set up on the Canadian prairies were analyzed with respect to the distributions of mean Doppler shift, spectral width and skewness. A comparison with recently published SABRE results obtained at 153 MHz shows substantial differences in the distributions which are probably due to different experimental and geophysical conditions. The spectra are mostly broad with mean Doppler shifts close to zero (type II spectra). The typical groupings of type I and type III spectra are clearly identified. All types appear to be in general much more symmetricmore » than those recorded with SABRE, and the skewness is only weakly dependent on the sign of the mean Doppler shift. Its distribution peaks near zero and shows a weak positive correlation with the type II Doppler shifts while the mostly positive type I Doppler shifts are slightly negatively correlated with the skewness.« less

Improved detection sensitivity of D-mannitol crystalline phase content using differential spectral phase shift terahertz spectroscopy measurements.

PubMed

Allard, Jean-François; Cornet, Alain; Debacq, Christophe; Meurens, Marc; Houde, Daniel; Morris, Denis

2011-02-28

We report quantitative measurement of the relative proportion of δ- and β-D-mannitol crystalline phases inserted into polyethylene powder pellets, obtained by time-domain terahertz spectroscopy. Nine absorption bands have been identified from 0.2 THz to 2.2 THz. The best quantification of the δ-phase proportion is made using the 1.01 THz absorption band. Coherent detection allows using the spectral phase shift of the transmitted THz waveform to improve the detection sensitivity of the relative δ-phase proportion. We argue that differential phase shift measurements are less sensitive to samples' defects. Using a linear phase shift compensation for pellets of slightly different thicknesses, we were able to distinguish a 0.5% variation in δ-phase proportion.

Effects of vacuum exposure on stress and spectral shift of high reflective coatings

NASA Astrophysics Data System (ADS)

Stolz, C. J.; Taylor, J. R.; Eickelberg, W. K.; Lindh, J. D.

1992-06-01

The Atomic Vapor Laser Isotope Laser Separation (AVLIS) program operates the world's largest average power dye laser; the dye laser beams are combined, formatted, and transported in vacuum. The optical system is aligned at atmosphere, while the system must meet requirements in vacuum. Therefore, coating performance must be characterized in both atmosphere and vacuum. Changes in stress and spectral shift in ambient and vacuum environments are reported for conventional and dense multilayer dielectric coatings.

Efficiency enhancement of ZnO nanostructure assisted Si solar cell based on fill factor enlargement and UV-blue spectral down-shifting

NASA Astrophysics Data System (ADS)

Gholizadeh, A.; Reyhani, A.; Parvin, P.; Mortazavi, S. Z.

2017-05-01

ZnO nanostructures (including nano-plates and nano-rods (NRs)) are grown in various temperatures and Ar/O2 flow rates using thermal chemical vapor deposition, which affect the structure, nano-plate/NR population, and the quality of ZnO nanostructures. X-ray diffraction (XRD) attests that the peak intensity of the crystallographic plane (1 0 0) is correlated to nano-plate abundance. Moreover, optical properties elucidate that the population of nano-plates in samples strongly affect the band gap, binding energy of the exciton, and UV-visible (UV-vis) absorption and spectral luminescence emissions. In fact, the exciton binding energy reduces from ~100 to 80 meV when the population of nano-plates increases in samples. Photovoltaic characteristics based on the drop-casting on Si solar cells reveals three dominant factors, namely, the equivalent series resistance, decreasing reflectance, and down-shifting, in order to scale up the absolute efficiency by 3%. As a consequence, the oxygen vacancies in ZnO nanostructures give rise to the down-shifting and increase of free-carriers, leading to a reduction in the equivalent series resistance and an enlargement of fill factor. To obtain a larger I sc, reduction of spectral reflectance is essential; however, the down-shifting process is shown to be dominant by lessening the surface electron-hole recombination rate over the UV-blue spectral range.

[Fluorescence peak shift corresponding to high chlorophyll concentrations in inland water].

PubMed

Duan, Hong-Tao; Ma, Rong-Hua; Zhang, Yuan-Zhi; Zhang, Bai

2009-01-01

Hyperspectral remote sensing offers the potential to detect water quality variables such as Chl-a by using narrow spectral channels of less than 10 nm, which could otherwise be masked by broadband satellites such as Landsat TM. Fluorescence peak of the red region is very important for the remote sensing of inland and coastal waters, which is unique to phytoplankton Chl-a that takes place in this region. Based on in situ water sampling and field spectral measurement from 2004 to 2006 in Nanhu Lake, the features of the spectral reflectance were analyzed in detail with peak position shift. The results showed: An exponential fitting model, peak position = a(Chl-a)b, was developed between chlorophyll-a concentration and fluorescence peak shift, where a varies between 686.11 and 686.29, while b between 0.0062 and 0.0065. It was found that the better the spectral resolution, the higher the precision of the model. Except that, the average of peak shift showed a high correlation with the average of different Chl-a grades, and the determination coefficient (R2) was higher than 0.81. It contributed significantly to the increase in the accuracy of the derivation of chlorophyll values from remote sensing data in Nanhu Lake. There is satisfactory correspondence between hyperspectral models and chl-a concentration, therefore, it is possible to monitor the water quality of Nanhu lake throngh the hyperspetral remote sensing data.

Carrier Estimation Using Classic Spectral Estimation Techniques for the Proposed Demand Assignment Multiple Access Service

NASA Technical Reports Server (NTRS)

Scaife, Bradley James

1999-01-01

In any satellite communication, the Doppler shift associated with the satellite's position and velocity must be calculated in order to determine the carrier frequency. If the satellite state vector is unknown then some estimate must be formed of the Doppler-shifted carrier frequency. One elementary technique is to examine the signal spectrum and base the estimate on the dominant spectral component. If, however, the carrier is spread (as in most satellite communications) this technique may fail unless the chip rate-to-data rate ratio (processing gain) associated with the carrier is small. In this case, there may be enough spectral energy to allow peak detection against a noise background. In this thesis, we present a method to estimate the frequency (without knowledge of the Doppler shift) of a spread-spectrum carrier assuming a small processing gain and binary-phase shift keying (BPSK) modulation. Our method relies on an averaged discrete Fourier transform along with peak detection on spectral match filtered data. We provide theory and simulation results indicating the accuracy of this method. In addition, we will describe an all-digital hardware design based around a Motorola DSP56303 and high-speed A/D which implements this technique in real-time. The hardware design is to be used in NMSU's implementation of NASA's demand assignment, multiple access (DAMA) service.

Power spectral analysis of the sleep electroencephalogram in heartburn patients with or without gastroesophageal reflux disease: a feasibility study.

PubMed

Budhiraja, Rohit; Quan, Stuart F; Punjabi, Naresh M; Drake, Christopher L; Dickman, Ram; Fass, Ronnie

2010-02-01

Determine the feasibility of using power spectrum of the sleep electroencephalogram (EEG) as a more sensitive tool than sleep architecture to evaluate the relationship between gastroesophageal reflux disease (GERD) and sleep. GERD has been shown to adversely affect subjective sleep reports but not necessarily objective sleep parameters. Data were prospectively collected from symptomatic patients with heartburn. All symptomatic patients underwent upper endoscopy. Patients without erosive esophagitis underwent pH testing. Sleep was polygraphically recorded in the laboratory. Spectral analysis was performed to determine the power spectrum in 4 bandwidths: delta (0.8 to 4.0 Hz), theta (4.1 to 8.0 Hz), alpha (8.1 to 13.0 Hz), and beta (13.1 to 20.0 Hz). Eleven heartburn patients were included in the GERD group (erosive esophagitis) and 6 heartburn patients in the functional heartburn group (negative endoscopy, pH test, response to proton pump inhibitors). The GERD patients had evidence of lower average delta-power than functional heartburn patients. Patients with GERD had greater overall alpha-power in the latter half of the night (3 hours after sleep onset) than functional heartburn patients. No significant differences were noted in conventional sleep stage summaries between the 2 groups. Among heartburn patients with GERD, EEG spectral power during sleep is shifted towards higher frequencies compared with heartburn patients without GERD despite similar sleep architecture. This feasibility study demonstrated that EEG spectral power during sleep might be the preferred tool to provide an objective analysis about the effect of GERD on sleep.

New earth system model for optical performance evaluation of space instruments.

PubMed

Ryu, Dongok; Kim, Sug-Whan; Breault, Robert P

2017-03-06

In this study, a new global earth system model is introduced for evaluating the optical performance of space instruments. Simultaneous imaging and spectroscopic results are provided using this global earth system model with fully resolved spatial, spectral, and temporal coverage of sub-models of the Earth. The sun sub-model is a Lambertian scattering sphere with a 6-h scale and 295 lines of solar spectral irradiance. The atmospheric sub-model has a 15-layer three-dimensional (3D) ellipsoid structure. The land sub-model uses spectral bidirectional reflectance distribution functions (BRDF) defined by a semi-empirical parametric kernel model. The ocean is modeled with the ocean spectral albedo after subtracting the total integrated scattering of the sun-glint scatter model. A hypothetical two-mirror Cassegrain telescope with a 300-mm-diameter aperture and 21.504 mm × 21.504-mm focal plane imaging instrument is designed. The simulated image results are compared with observational data from HRI-VIS measurements during the EPOXI mission for approximately 24 h from UTC Mar. 18, 2008. Next, the defocus mapping result and edge spread function (ESF) measuring result show that the distance between the primary and secondary mirror increases by 55.498 μm from the diffraction-limited condition. The shift of the focal plane is determined to be 5.813 mm shorter than that of the defocused focal plane, and this result is confirmed through the estimation of point spread function (PSF) measurements. This study shows that the earth system model combined with an instrument model is a powerful tool that can greatly help the development phase of instrument missions.

Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole.

PubMed

Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H Y; Williams, Ian D; Tang, Ben Zhong

2005-09-15

1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole (1) was prepared and characterized crystallographically. Silole 1 exhibited aggregation-induced emission (AIE) behavior like other 2,3,4,5-tetraphenylsiloles. Unexpectedly, aggregates formed in water/acetone (6:4 by volume) mixture emitted a blue light that peaked at 474 nm, while aggregates formed in the mixtures with higher water fractions emitted green light that peaked at 500 nm. Transmission electron microscopy demonstrated that the aggregates formed in the mixture with water fraction of 60% were single crystals, while aggregates that formed in the mixture with water fraction of 90% were irregular and poorly ordered particles. The unusual PL spectral reliance on aggregation order was further confirmed by PL emissions of macroscopic crystal powders and amorphous powders of the silole in the dry state. PL spectral blue shifting was observed upon aging of the poorly ordered aggregates formed in mixtures with water fractions of 70-90%, and they finally exhibited the same blue emission as the crystalline aggregates. The as-deposited thin solid film was amorphous and it could be transformed to a transparent crystalline film upon treatment in the vapor of an ethanol/water (1:1 by volume) mixture, along with PL spectral blue shifting due to changing of aggregation order. It was also found that the crystalline film showed a blue-shifted absorption spectrum relative to the amorphous film and the shift of the absorption edge of the spectra could match that of corresponding PL spectra. The FT-IR spectrum of crystal powders of 1 displayed more vibration modes compared with that of amorphous powders, suggesting the existence of different pi-overlaps or different molecular conformations. The crystals of 1-methyl-1,2,3,4,5-pentaphenylsilole and hexaphenylsilole also showed blue-shifted PL emissions of their amorphous solids, with a comparable PL spectral shift of 1. Developing of a silole solution on a TLC plate readily brought about an amorphous thin layer. Our results suggest that crystalline films of AIE-active siloles are potential emissive layers for efficient blue OLEDs with stable color and long lifetime.

The slightly-enriched spectral shift control reactor. Final report, September 30, 1988--September 30, 1991

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martin, W.R.; Lee, J.C.; Larsen, E.W.

1991-11-01

An advanced converter reactor design utilizing mechanical spectral shift control rods in a conventional pressurized water reactor configuration is under investigation. The design is based on the principle that a harder spectrum during the early part of the fuel cycle will result in large neutron captures in fertile {sup 238}U, which can then be burned in situ in a softer spectrum later in the cycle. Preliminary design calculations performed during FY 89 showed that the slightly-enriched spectral shift reactor design offers the benefit of substantially increased fuel resource utilization with the proven safety characteristics of the pressurized water reactor technologymore » retained. Optimization of the fuel design and development of fuel management strategies were carried out in FY 90, along with effort to develop and validate neutronic methodology for tight-lattice configurations with hard spectra. During FY 91, the final year of the grant, the final Slightly-Enriched Spectral Shift Reactor (SESSR) design was determined, and reference design analyses were performed for the assemblies as well as the global core configuration, both at the beginning of cycle (BOC) and with depletion. The final SESSR design results in approximately a 20% increase in the utilization of uranium resources, based on equilibrium fuel cycle analyses. Acceptable pin power peaking is obtained with the final core design, with assembly peaking factors equal to less than 1.04 for spectral shift control rods both inserted and withdrawn, and global peaking factors at BOC predicted to be 1.4. In addition, a negative Moderation Temperature Coefficient (MTC) is maintained for BOC, which is difficult to achieve with conventional advanced converter designs based on a closed fuel cycle. The SESSR design avoids the need for burnable poison absorber, although they could be added if desired to increase the cycle length while maintaining a negative MTC.« less

The slightly-enriched spectral shift control reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martin, W.R.; Lee, J.C.; Larsen, E.W.

1991-11-01

An advanced converter reactor design utilizing mechanical spectral shift control rods in a conventional pressurized water reactor configuration is under investigation. The design is based on the principle that a harder spectrum during the early part of the fuel cycle will result in large neutron captures in fertile {sup 238}U, which can then be burned in situ in a softer spectrum later in the cycle. Preliminary design calculations performed during FY 89 showed that the slightly-enriched spectral shift reactor design offers the benefit of substantially increased fuel resource utilization with the proven safety characteristics of the pressurized water reactor technologymore » retained. Optimization of the fuel design and development of fuel management strategies were carried out in FY 90, along with effort to develop and validate neutronic methodology for tight-lattice configurations with hard spectra. During FY 91, the final year of the grant, the final Slightly-Enriched Spectral Shift Reactor (SESSR) design was determined, and reference design analyses were performed for the assemblies as well as the global core configuration, both at the beginning of cycle (BOC) and with depletion. The final SESSR design results in approximately a 20% increase in the utilization of uranium resources, based on equilibrium fuel cycle analyses. Acceptable pin power peaking is obtained with the final core design, with assembly peaking factors equal to less than 1.04 for spectral shift control rods both inserted and withdrawn, and global peaking factors at BOC predicted to be 1.4. In addition, a negative Moderation Temperature Coefficient (MTC) is maintained for BOC, which is difficult to achieve with conventional advanced converter designs based on a closed fuel cycle. The SESSR design avoids the need for burnable poison absorber, although they could be added if desired to increase the cycle length while maintaining a negative MTC.« less

Engineering 'Golden' Fluorescence by Selective Pressure Incorporation of Non-canonical Amino Acids and Protein Analysis by Mass Spectrometry and Fluorescence.

PubMed

Baumann, Tobias; Schmitt, Franz-Josef; Pelzer, Almut; Spiering, Vivian Jeanette; Freiherr von Sass, Georg Johannes; Friedrich, Thomas; Budisa, Nediljko

2018-04-27

Fluorescent proteins are fundamental tools for the life sciences, in particular for fluorescence microscopy of living cells. While wild-type and engineered variants of the green fluorescent protein from Aequorea victoria (avGFP) as well as homologs from other species already cover large parts of the optical spectrum, a spectral gap remains in the near-infrared region, for which avGFP-based fluorophores are not available. Red-shifted fluorescent protein (FP) variants would substantially expand the toolkit for spectral unmixing of multiple molecular species, but the naturally occurring red-shifted FPs derived from corals or sea anemones have lower fluorescence quantum yield and inferior photo-stability compared to the avGFP variants. Further manipulation and possible expansion of the chromophore's conjugated system towards the far-red spectral region is also limited by the repertoire of 20 canonical amino acids prescribed by the genetic code. To overcome these limitations, synthetic biology can achieve further spectral red-shifting via insertion of non-canonical amino acids into the chromophore triad. We describe the application of SPI to engineer avGFP variants with novel spectral properties. Protein expression is performed in a tryptophan-auxotrophic E. coli strain and by supplementing growth media with suitable indole precursors. Inside the cells, these precursors are converted to the corresponding tryptophan analogs and incorporated into proteins by the ribosomal machinery in response to UGG codons. The replacement of Trp-66 in the enhanced "cyan" variant of avGFP (ECFP) by an electron-donating 4-aminotryptophan results in GdFP featuring a 108 nm Stokes shift and a strongly red-shifted emission maximum (574 nm), while being thermodynamically more stable than its predecessor ECFP. Residue-specific incorporation of the non-canonical amino acid is analyzed by mass spectrometry. The spectroscopic properties of GdFP are characterized by time-resolved fluorescence spectroscopy as one of the valuable applications of genetically encoded FPs in life sciences.

Stress dependence of the Raman spectrum of polycrystalline barium titanate in presence of localized domain texture

NASA Astrophysics Data System (ADS)

Sakashita, Tatsuo; Deluca, Marco; Yamamoto, Shinsuke; Chazono, Hirokazu; Pezzotti, Giuseppe

2007-06-01

The stress dependence of the Raman spectrum of polycrystalline barium titanate (BaTiO3, BT) ceramics has been examined with microprobe polarized Raman spectroscopy. The angular dependence of the Raman spectrum of the tetragonal BT crystal has been theoretically established, enabling us to assess the stress dependence of selected spectral modes without the influence of crystallographic domain orientation. Upon considering the frequency shift of selected Raman modes as a function of orientation between the crystallographic axis and the polarization vector of incident and scattered light, a suitable instrumental configuration has been selected, which allowed a direct residual stress measurement according to a modified piezospectroscopic procedure. The analysis is based on the selection of mixed photostimulated spectral modes in two perpendicular angular orientations.

Molecular docking and structural analysis of non-opioid analgesic drug acemetacin with halogen substitution: A DFT approach

NASA Astrophysics Data System (ADS)

Leenaraj, D. R.; Manimaran, D.; Joe, I. Hubert

2016-11-01

Acemetacin is a non-opioid analgesic which belongs to the class, the non-steroidal anti-inflammatory drug. The bioactive conformer was identified through potential energy surface scan studies. Spectral features of acemetacin have been probed by the techniques of Fourier transform infrared, Raman and Nuclear magnetic resonance combined with density functional theory calculations at the B3LYP level with 6-311 + G(d,p) basis set. The detailed interpretation of vibrational spectral assignments has been carried out on the basis of potential energy distribution method. Geometrical parameters reveal that the carbonyl substitution in between chlorophenyl and indole ring leads to a significant loss of planarity. The red-shifted Cdbnd O stretching wavenumber describe the conjugation between N and O atoms. The shifted Csbnd H stretching wavenumbers of Osbnd CH3 and Osbnd CH2 groups depict the back-donation and induction effects. The substitution of halogen atoms on the title molecule influences the charge distribution and the geometrical parameters. Drug activity and binding affinity of halogen substitution in title molecule with target protein were undertaken by molecular docking study. This study enlightens the effects of bioefficiency due to the halogen substitution in the molecule.

Effects of styrene unit on molecular conformation and spectral properties of CNsbnd PhCHdbnd NPhCHdbnd CHPhsbnd CN

NASA Astrophysics Data System (ADS)

Fang, Zhengjun; Wu, Feng; Jiao, Yingchun; Wang, Nanfang; Au, Chaktong; Cao, Chenzhong; Yi, Bing

2018-05-01

Compound CN-PhCH=NPhCH=CHPh-CN with both stilbene and benzylidene aniline units was synthesized, and studied from the viewpoint of molecular conformation and spectroscopic property by a combined use of experimental and computational methods. The maximum UV absorption wavelength (λmax) of the compound in ethanol, acetonitrile, chloroform and cyclohexane solvents were measured, and the 13C NMR chemical shift value δC(Cdbnd N) in chloroform-d was determined. The crystal structure of the compound was determined by X-ray diffraction. The frontier molecular orbital was calculated by density functional theory method. The results show that the UV absorption spectrum of the titled compound is similar to those of Schiff bases, while there is a larger red shift of λmax comparing to that of CN-PhCH=NPh-CN. Moreover, the molecular configuration of the titled compound relative to Cdbnd N is anti-form, having a more obvious twisted structure. The spectral and structural behaviors are further supported by the results of frontier molecular orbital analyses, NBO, electrostatic potentials and TD-DFT calculations. The study provides deeper insights into the molecular conformation of Schiff bases.

Spectral Separation of the Turbofan Engine Coherent Combustion Noise Component

NASA Technical Reports Server (NTRS)

Miles, Jeffrey Hilton

2008-01-01

The core noise components of a dual spool turbofan engine (Honeywell TECH977) were separated by the use of a coherence function. A source location technique based on adjusting the time delay between the combustor pressure sensor signal and the far-field microphone signal to maximize the coherence and remove as much variation of the phase angle with frequency as possible was used. While adjusting the time delay to maximize the coherence and minimize the cross spectrum phase angle variation with frequency, the discovery was made that for the 130 microphone a 90.027 ms time shift worked best for the frequency band from 0 to 200 Hz while a 86.975 ms time shift worked best for the frequency band from 200 to 400 Hz. Since the 0 to 200 Hz band signal took more time to travel the same distance, it is slower than the 200 to 400 Hz band signal. This suggests the 0 to 200 Hz coherent cross spectral density band is partly due to indirect combustion noise attributed to hot spots interacting with the turbine. The signal in the 200 to 400 Hz frequency band is attributed mostly to direct combustion noise.

Statistical learning of music- and language-like sequences and tolerance for spectral shifts.

PubMed

Daikoku, Tatsuya; Yatomi, Yutaka; Yumoto, Masato

2015-02-01

In our previous study (Daikoku, Yatomi, & Yumoto, 2014), we demonstrated that the N1m response could be a marker for the statistical learning process of pitch sequence, in which each tone was ordered by a Markov stochastic model. The aim of the present study was to investigate how the statistical learning of music- and language-like auditory sequences is reflected in the N1m responses based on the assumption that both language and music share domain generality. By using vowel sounds generated by a formant synthesizer, we devised music- and language-like auditory sequences in which higher-ordered transitional rules were embedded according to a Markov stochastic model by controlling fundamental (F0) and/or formant frequencies (F1-F2). In each sequence, F0 and/or F1-F2 were spectrally shifted in the last one-third of the tone sequence. Neuromagnetic responses to the tone sequences were recorded from 14 right-handed normal volunteers. In the music- and language-like sequences with pitch change, the N1m responses to the tones that appeared with higher transitional probability were significantly decreased compared with the responses to the tones that appeared with lower transitional probability within the first two-thirds of each sequence. Moreover, the amplitude difference was even retained within the last one-third of the sequence after the spectral shifts. However, in the language-like sequence without pitch change, no significant difference could be detected. The pitch change may facilitate the statistical learning in language and music. Statistically acquired knowledge may be appropriated to process altered auditory sequences with spectral shifts. The relative processing of spectral sequences may be a domain-general auditory mechanism that is innate to humans. Copyright © 2014 Elsevier Inc. All rights reserved.

Elastic and Inelastic Light Scattering by Microdroplets

NASA Astrophysics Data System (ADS)

Huckaby, James Longinus

A technique for simultaneously determining microdroplet radius, refractive index and its dispersion is developed and demonstrated for three droplet compounds. Based on the accurate determination of the spectral positions of a set of scattered field optical resonances, the technique is shown to provide size and refractive index values to within a relative error of 5 times 10^{-5}, while also providing the refractive index as a function of wavenumber. A method for unambiguously distinguishing droplet growth by the formation of a layer from homogeneous growth is presented and demonstrated. This method employs the precise determination of the spectral positions of optical resonances associated with the transverse magnetic (TM) and transverse electric (TE) scattered fields from a sphere. The method relies upon the observation that the formation of a coating having a different refractive index than the core droplet results in substantially different spectral shifts of the scattered TE and TM resonances. This method was applied to examine absorption and coating events. Droplet size changes of as small as 3.0 nm due to the absorption of vapor were induced and measured. Coatings of perfluorinated polyether on polyphenol ether droplets were generated and shown to produce peak shifts consistent with theory. The observation of a large number of internal field resonances of the droplet with the incident wavenumber in the Raman spectra of microdroplets is reported. An argument based on the observed density of these internal resonances is made for the observation of all internal field resonances through the techniques described.

Vibrational spectroscopy of water in hydrated lipid multi-bilayers. II. Two-dimensional infrared and peak shift observables within different theoretical approximations.

PubMed

Gruenbaum, Scott M; Pieniazek, Piotr A; Skinner, J L

2011-10-28

In a previous report, we calculated the infrared absorption spectrum and both the isotropic and anisotropic pump-probe signals for the OD stretch of isotopically dilute water in dilauroylphosphatidylcholine (DLPC) multi-bilayers as a function of the lipid hydration level. These results were then compared to recent experimental measurements and are in generally good agreement. In this paper, we will further investigate the structure and dynamics of hydration water using molecular dynamics simulations and calculations of the two-dimensional infrared and vibrational echo peak shift observables for hydration water in DLPC membranes. These observables have not yet been measured experimentally, but future comparisons may provide insight into spectral diffusion processes and hydration water heterogeneity. We find that at low hydration levels the motion of water molecules inside the lipid membrane is significantly arrested, resulting in very slow spectral diffusion. At higher hydration levels, spectral diffusion is more rapid, but still slower than in bulk water. We also investigate the effects of several common approximations on the calculation of spectroscopic observables by computing these observables within multiple levels of theory. The impact of these approximations on the resulting spectra affects our interpretation of these measurements and reveals that, for example, the cumulant approximation, which may be valid for certain systems, is not a good approximation for a highly heterogeneous environment such as hydration water in lipid multi-bilayers.

Computational study of the electronic spectra of the rare gas fluorohydrides HRgF (Rg = Ar, Kr, Xe, Rn)

NASA Astrophysics Data System (ADS)

van Hoeve, Miriam D.; Klobukowski, Mariusz

2018-03-01

Simulation of the electronic spectra of HRgF (Rg = Ar, Kr, Xe, Rn) was carried out using the time-dependent density functional method, with the CAMB3LYP functional and several basis sets augmented with even-tempered diffuse functions. A full spectral assignment for the HRgF systems was done. The effect of the rare gas matrix on the HRgF (Rg = Ar and Kr) spectra was investigated and it was found that the matrix blue-shifted the spectra. Scalar relativistic effects on the spectra were also studied and it was found that while the excitation energies of HArF and HKrF were insignificantly affected by relativistic effects, most of the excitation energies of HXeF and HRnF were red-shifted. Spin-orbit coupling was found to significantly affect excitation energies in HRnF. Analysis of performance of the model core potential basis set relative to all-electron (AE) basis sets showed that the former basis set increased computational efficiency and gave results similar to those obtained with the AE basis set.

Insights on the Spectral Signatures of Stellar Activity and Planets from PCA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, Allen B.; Fischer, Debra A.; Cisewski, Jessi

Photospheric velocities and stellar activity features such as spots and faculae produce measurable radial velocity signals that currently obscure the detection of sub-meter-per-second planetary signals. However, photospheric velocities are imprinted differently in a high-resolution spectrum than are Keplerian Doppler shifts. Photospheric activity produces subtle differences in the shapes of absorption lines due to differences in how temperature or pressure affects the atomic transitions. In contrast, Keplerian Doppler shifts affect every spectral line in the same way. With a high enough signal-to-noise (S/N) and resolution, statistical techniques can exploit differences in spectra to disentangle the photospheric velocities and detect lower-amplitude exoplanetmore » signals. We use simulated disk-integrated time-series spectra and principal component analysis (PCA) to show that photospheric signals introduce spectral line variability that is distinct from that of Doppler shifts. We quantify the impact of instrumental resolution and S/N for this work.« less

Scattering characteristics of relativistically moving concentrically layered spheres

NASA Astrophysics Data System (ADS)

Garner, Timothy J.; Lakhtakia, Akhlesh; Breakall, James K.; Bohren, Craig F.

2018-02-01

The energy extinction cross section of a concentrically layered sphere varies with velocity as the Doppler shift moves the spectral content of the incident signal in the sphere's co-moving inertial reference frame toward or away from resonances of the sphere. Computations for hollow gold nanospheres show that the energy extinction cross section is high when the Doppler shift moves the incident signal's spectral content in the co-moving frame near the wavelength of the sphere's localized surface plasmon resonance. The energy extinction cross section of a three-layer sphere consisting of an olivine-silicate core surrounded by a porous and a magnetite layer, which is used to explain extinction caused by interstellar dust, also depends strongly on velocity. For this sphere, computations show that the energy extinction cross section is high when the Doppler shift moves the spectral content of the incident signal near either of olivine-silicate's two localized surface phonon resonances at 9.7 μm and 18 μm.

Autoregressive moving average modeling for spectral parameter estimation from a multigradient echo chemical shift acquisition

PubMed Central

Taylor, Brian A.; Hwang, Ken-Pin; Hazle, John D.; Stafford, R. Jason

2009-01-01

The authors investigated the performance of the iterative Steiglitz–McBride (SM) algorithm on an autoregressive moving average (ARMA) model of signals from a fast, sparsely sampled, multiecho, chemical shift imaging (CSI) acquisition using simulation, phantom, ex vivo, and in vivo experiments with a focus on its potential usage in magnetic resonance (MR)-guided interventions. The ARMA signal model facilitated a rapid calculation of the chemical shift, apparent spin-spin relaxation time (T2*), and complex amplitudes of a multipeak system from a limited number of echoes (≤16). Numerical simulations of one- and two-peak systems were used to assess the accuracy and uncertainty in the calculated spectral parameters as a function of acquisition and tissue parameters. The measured uncertainties from simulation were compared to the theoretical Cramer–Rao lower bound (CRLB) for the acquisition. Measurements made in phantoms were used to validate the T2* estimates and to validate uncertainty estimates made from the CRLB. We demonstrated application to real-time MR-guided interventions ex vivo by using the technique to monitor a percutaneous ethanol injection into a bovine liver and in vivo to monitor a laser-induced thermal therapy treatment in a canine brain. Simulation results showed that the chemical shift and amplitude uncertainties reached their respective CRLB at a signal-to-noise ratio (SNR)≥5 for echo train lengths (ETLs)≥4 using a fixed echo spacing of 3.3 ms. T2* estimates from the signal model possessed higher uncertainties but reached the CRLB at larger SNRs and∕or ETLs. Highly accurate estimates for the chemical shift (<0.01 ppm) and amplitude (<1.0%) were obtained with ≥4 echoes and for T2* (<1.0%) with ≥7 echoes. We conclude that, over a reasonable range of SNR, the SM algorithm is a robust estimator of spectral parameters from fast CSI acquisitions that acquire ≤16 echoes for one- and two-peak systems. Preliminary ex vivo and in vivo experiments corroborated the results from simulation experiments and further indicate the potential of this technique for MR-guided interventional procedures with high spatiotemporal resolution ∼1.6×1.6×4 mm3 in ≤5 s. PMID:19378736

Existence of a new emitting singlet state of proflavine: femtosecond dynamics of the excited state processes and quantum chemical studies in different solvents.

PubMed

Kumar, Karuppannan Senthil; Selvaraju, Chellappan; Malar, Ezekiel Joy Padma; Natarajan, Paramasivam

2012-01-12

Proflavine (3,6-diaminoacridine) shows fluorescence emission with lifetime, 4.6 ± 0.2 ns, in all the solvents irrespective of the solvent polarity. To understand this unusual photophysical property, investigations were carried out using steady state and time-resolved fluorescence spectroscopy in the pico- and femtosecond time domain. Molecular geometries in the ground and low-lying excited states of proflavine were examined by complete structural optimization using ab initio quantum chemical computations at HF/6-311++G** and CIS/6-311++G** levels. Time dependent density functional theory (TDDFT) calculations were performed to study the excitation energies in the low-lying excited states. The steady state absorption and emission spectral details of proflavine are found to be influenced by solvents. The femtosecond fluorescence decay of the proflavine in all the solvents follows triexponential function with two ultrafast decay components (τ(1) and τ(2)) in addition to the nanosecond component. The ultrafast decay component, τ(1), is attributed to the solvation dynamics of the particular solvent used. The second ultrafast decay component, τ(2), is found to vary from 50 to 215 ps depending upon the solvent. The amplitudes of the ultrafast decay components vary with the wavelength and show time dependent spectral shift in the emission maximum. The observation is interpreted that the time dependent spectral shift is not only due to solvation dynamics but also due to the existence of more than one emitting state of proflavine in the solvent used. Time resolved area normalized emission spectral (TRANES) analysis shows an isoemissive point, indicating the presence of two emitting states in homogeneous solution. Detailed femtosecond fluorescence decay analysis allows us to isolate the two independent emitting components of the close lying singlet states. The CIS and TDDFT calculations also support the existence of the close lying emitting states. The near constant lifetime observed for proflavine in different solvents is suggested to be due to the similar dipole moments of the ground and the evolved emitting singlet state of the dye from the Franck-Condon excited state.

Using AVIRIS for in-flight calibration of the spectral shifts of SPOT-HRV and of AVHRR?

NASA Technical Reports Server (NTRS)

Willart-Soufflet, Veronique; Santer, Richard

1993-01-01

The response of a satellite sensor varies during its lifetime; internal calibration devices can be used to follow the sensor degradation or in-flight calibrations are conducted from estimates of the radiance at satellite level for well predictable situations. Changes in gain are evaluated assuming that the spectral response of the sensor is stable with time; i.e., that the filter response as well as the optics or the electronics are not modified since the prelaunch determinations. Nevertheless, there is some evidence that the SPOT interferometer filters are affected by outgassing effects during the launch. Tests in vacuum chambers indicated a narrowing of the filters with a shift of the upper side towards the blue of about 10 nm which is more over consistant with the loss of gain observed during the launch. Also, during the lifetime of SPOT, the relationship between the loss of sensitivity and the filter bandwidth may correspond to this effect. On the other hand, the inconsistancy of the NOAA7 calibration between two methods (desert and ocean) having a different spectral sensitivity may indicate a spectral problem with a shift of the central wavelength of -20 nm. The basic idea here is to take advantage of the good spectral definition of AVIRIS to monitor these potential spectral degradations with an experimental opportunity provided by a field campaign held in La Crau (S.E. of France) in June 1991 which associated ground-based measurements and AVIRIS, SPOT2, NOAA-11 overpasses over both the calibration site of La Crau and an agricultural area.

[The application of Doppler broadening and Doppler shift to spectral analysis].

PubMed

Xu, Wei; Fang, Zi-shen

2002-08-01

The distinction between Doppler broadening and Doppler shift has analyzed, Doppler broadening locally results from the distribution of velocities of the emitting particles, the line width gives the information on temperature of emitting particles. Doppler shift results when the emitting particles have a bulk non random flow velocity in a particular direction, the drift of central wavelength gives the information on flow velocity of emitting particles, and the Doppler shift only drifts the profile of line without changing the width. The difference between Gaussian fitting and the distribution of chord-integral line shape have also been discussed. The distribution of H alpha spectral line shape has been derived from the surface of limiter in HT-6M Tokamak with optical spectroscope multichannel analysis (OSMA), the result by double Gaussian fitting shows that the line shape make up of two port, the emitting of reflect particles with higher energy and the release particle from the limiter surface. Ion temperature and recycling particle flow velocity have been obtained from Doppler broadening and Doppler shift.

Characterization of trabecular bone using the backscattered spectral centroid shift.

PubMed

Wear, Keith A

2003-04-01

Ultrasonic attenuation in bone in vivo is generally measured using a through-transmission method at the calcaneus. Although attenuation in calcaneus has been demonstrated to be a useful predictor for osteoporotic fracture risk, measurements at other clinically important sites, such as hip and spine, could potentially contain additional useful diagnostic information. Through-transmission measurements may not be feasible at these sites due to complex bone shapes and the increased amount of intervening soft tissue. Centroid shift from the backscattered signal is an index of attenuation slope and has been used previously to characterize soft tissues. In this paper, centroid shift from signals backscattered from 30 trabecular bone samples in vitro were measured. Attenuation slope also was measured using a through-transmission method. The correlation coefficient between centroid shift and attenuation slope was -0.71. The 95% confidence interval was (-0.86, -0.47). These results suggest that the backscattered spectral centroid shift may contain useful diagnostic information potentially applicable to hip and spine.

Fluorescence from Multiple Chromophore Hydrogen-Bonding States in the Far-Red Protein TagRFP675.

PubMed

Konold, Patrick E; Yoon, Eunjin; Lee, Junghwa; Allen, Samantha L; Chapagain, Prem P; Gerstman, Bernard S; Regmi, Chola K; Piatkevich, Kiryl D; Verkhusha, Vladislav V; Joo, Taiha; Jimenez, Ralph

2016-08-04

Far-red fluorescent proteins are critical for in vivo imaging applications, but the relative importance of structure versus dynamics in generating large Stokes-shifted emission is unclear. The unusually red-shifted emission of TagRFP675, a derivative of mKate, has been attributed to the multiple hydrogen bonds with the chromophore N-acylimine carbonyl. We characterized TagRFP675 and point mutants designed to perturb these hydrogen bonds with spectrally resolved transient grating and time-resolved fluorescence (TRF) spectroscopies supported by molecular dynamics simulations. TRF results for TagRFP675 and the mKate/M41Q variant show picosecond time scale red-shifts followed by nanosecond time blue-shifts. Global analysis of the TRF spectra reveals spectrally distinct emitting states that do not interconvert during the S1 lifetime. These dynamics originate from photoexcitation of a mixed ground-state population of acylimine hydrogen bond conformers. Strategically tuning the chromophore environment in TagRFP675 might stabilize the most red-shifted conformation and result in a variant with a larger Stokes shift.

Filtered gradient reconstruction algorithm for compressive spectral imaging

NASA Astrophysics Data System (ADS)

Mejia, Yuri; Arguello, Henry

2017-04-01

Compressive sensing matrices are traditionally based on random Gaussian and Bernoulli entries. Nevertheless, they are subject to physical constraints, and their structure unusually follows a dense matrix distribution, such as the case of the matrix related to compressive spectral imaging (CSI). The CSI matrix represents the integration of coded and shifted versions of the spectral bands. A spectral image can be recovered from CSI measurements by using iterative algorithms for linear inverse problems that minimize an objective function including a quadratic error term combined with a sparsity regularization term. However, current algorithms are slow because they do not exploit the structure and sparse characteristics of the CSI matrices. A gradient-based CSI reconstruction algorithm, which introduces a filtering step in each iteration of a conventional CSI reconstruction algorithm that yields improved image quality, is proposed. Motivated by the structure of the CSI matrix, Φ, this algorithm modifies the iterative solution such that it is forced to converge to a filtered version of the residual ΦTy, where y is the compressive measurement vector. We show that the filtered-based algorithm converges to better quality performance results than the unfiltered version. Simulation results highlight the relative performance gain over the existing iterative algorithms.

Temperature and pressure effects on GFP mutants: explaining spectral changes by molecular dynamics simulations and TD-DFT calculations.

PubMed

Jacchetti, Emanuela; Gabellieri, Edi; Cioni, Patrizia; Bizzarri, Ranieri; Nifosì, Riccardo

2016-05-14

By combining spectroscopic measurements under high pressure with molecular dynamics simulations and quantum mechanics calculations we investigate how sub-angstrom structural perturbations are able to tune protein function. We monitored the variations in fluorescence output of two green fluorescent protein mutants (termed Mut2 and Mut2Y, the latter containing the key T203Y mutation) subjected to pressures up to 600 MPa, at various temperatures in the 280-320 K range. By performing 150 ns molecular dynamics simulations of the protein structures at various pressures, we evidenced subtle changes in conformation and dynamics around the light-absorbing chromophore. Such changes explain the measured spectral tuning in the case of the sizable 120 cm(-1) red-shift observed for pressurized Mut2Y, but absent in Mut2. Previous work [Barstow et al., Proc. Natl. Acad. Sci. U. S. A., 2008, 105, 13362] on pressure effects on GFP also involved a T203Y mutant. On the basis of cryocooling X-ray crystallography, the pressure-induced fluorescence blue shift at low temperature (77 K) was attributed to key changes in relative conformation of the chromophore and Tyr203 phenol ring. At room temperature, however, a red shift was observed at high pressure, analogous to the one we observe in Mut2Y. Our investigation of structural variations in compressed Mut2Y also explains their result, bridging the gap between low-temperature and room-temperature high-pressure effects.

Simultaneous compression and encryption of closely resembling images: application to video sequences and polarimetric images.

PubMed

Aldossari, M; Alfalou, A; Brosseau, C

2014-09-22

This study presents and validates an optimized method of simultaneous compression and encryption designed to process images with close spectra. This approach is well adapted to the compression and encryption of images of a time-varying scene but also to static polarimetric images. We use the recently developed spectral fusion method [Opt. Lett.35, 1914-1916 (2010)] to deal with the close resemblance of the images. The spectral plane (containing the information to send and/or to store) is decomposed in several independent areas which are assigned according a specific way. In addition, each spectrum is shifted in order to minimize their overlap. The dual purpose of these operations is to optimize the spectral plane allowing us to keep the low- and high-frequency information (compression) and to introduce an additional noise for reconstructing the images (encryption). Our results show that not only can the control of the spectral plane enhance the number of spectra to be merged, but also that a compromise between the compression rate and the quality of the reconstructed images can be tuned. We use a root-mean-square (RMS) optimization criterion to treat compression. Image encryption is realized at different security levels. Firstly, we add a specific encryption level which is related to the different areas of the spectral plane, and then, we make use of several random phase keys. An in-depth analysis at the spectral fusion methodology is done in order to find a good trade-off between the compression rate and the quality of the reconstructed images. Our new proposal spectral shift allows us to minimize the image overlap. We further analyze the influence of the spectral shift on the reconstructed image quality and compression rate. The performance of the multiple-image optical compression and encryption method is verified by analyzing several video sequences and polarimetric images.

Combined dispersive/interference spectroscopy for producing a vector spectrum

DOEpatents

Erskine, David J.

2002-01-01

A method of measuring the spectral properties of broadband waves that combines interferometry with a wavelength disperser having many spectral channels to produce a fringing spectrum. Spectral mapping, Doppler shifts, metrology of angles, distances and secondary effects such as temperature, pressure, and acceleration which change an interferometer cavity length can be measured accurately by a compact instrument using broadband illumination. Broadband illumination avoids the fringe skip ambiguities of monochromatic waves. The interferometer provides arbitrarily high spectral resolution, simple instrument response, compactness, low cost, high field of view and high efficiency. The inclusion of a disperser increases fringe visibility and signal to noise ratio over an interferometer used alone for broadband waves. The fringing spectrum is represented as a wavelength dependent 2-d vector, which describes the fringe amplitude and phase. Vector mathematics such as generalized dot products rapidly computes average broadband phase shifts to high accuracy. A Moire effect between the interferometer's sinusoidal transmission and the illumination heterodynes high resolution spectral detail to low spectral detail, allowing the use of a low resolution disperser. Multiple parallel interferometer cavities of fixed delay allow the instantaneous mapping of a spectrum, with an instrument more compact for the same spectral resolution than a conventional dispersive spectrometer, and not requiring a scanning delay.

Tunable Fano resonance using weak-value amplification with asymmetric spectral response as a natural pointer

NASA Astrophysics Data System (ADS)

Singh, Ankit K.; Ray, Subir K.; Chandel, Shubham; Pal, Semanti; Gupta, Angad; Mitra, P.; Ghosh, N.

2018-05-01

Weak measurement enables faithful amplification and high-precision measurement of small physical parameters and is under intensive investigation as an effective tool in metrology and for addressing foundational questions in quantum mechanics. Here we demonstrate weak-value amplification using the asymmetric spectral response of Fano resonance as the pointer arising naturally in precisely designed metamaterials, namely, waveguided plasmonic crystals. The weak coupling between the polarization degree of freedom and the spectral response of Fano resonance arises due to a tiny shift in the asymmetric spectral response between two orthogonal linear polarizations. By choosing the preselected and postselected polarization states to be nearly mutually orthogonal, we observe both real and imaginary weak-value amplifications manifested as a spectacular shift of the Fano-resonance peak and narrowing (or broadening) of the resonance linewidth, respectively. The remarkable control and tunability of Fano resonance in a single device enabled by weak-value amplification may enhance active Fano-resonance-based applications in the nano-optical domain. In general, weak measurements using Fano-type spectral response broadens the domain of applicability of weak measurements using natural spectral line shapes as a pointer in a wide range of physical systems.

Crystal structure and spectral properties of vitamin K3 based nitrobenzo[a]phenoxazines

NASA Astrophysics Data System (ADS)

Chadar, Dattatray; Chakravarty, Debamitra; Lande, Dipali N.; Gejji, Shridhar P.; Sahoo, Suprabha; Salunke-Gawali, Sunita

2017-12-01

Benzo[a]phenoxazines are the planar polycyclic fluorescent compounds, find a variety of applications in biological sciences and are of growing interest. In the present work we synthesized heterocyclic aromatic fluorescent benzo[a]phenoxazines namely, 6-methyl-9-nitro-5H-benzo[a]phenoxazin-5-one (1) and 6-methyl-10-nitro-5H-benzo[a]phenoxazin-5-one (2) which are characterized in terms of the 1H and 13C chemical shifts from 2D gHSQCAD NMR experiments. Single crystal X-ray experiments revealed both 1 and 2 possess the Csbnd H⋯O interactions. Moreover the π•••π stacking interactions between planar polycycles have been noticed only in 1. The structural and vibrational spectral inferences obtained from experiments are corroborated through the ωB97xD based density functional theory.

Influence of Magnetic Ordering between Cr Adatoms on the Yu-Shiba-Rusinov States of the β -Bi2Pd Superconductor

NASA Astrophysics Data System (ADS)

Choi, Deung-Jang; Fernández, Carlos García; Herrera, Edwin; Rubio-Verdú, Carmen; Ugeda, Miguel M.; Guillamón, Isabel; Suderow, Hermann; Pascual, José Ignacio; Lorente, Nicolás

2018-04-01

We show that the magnetic ordering of coupled atomic dimers on a superconductor is revealed by their intragap spectral features. Chromium atoms on the superconductor β -Bi2Pd surface display Yu-Shiba-Rusinov bound states, detected as pairs of intragap excitations in tunneling spectra. By means of atomic manipulation with a scanning tunneling microscope's tip, we form Cr dimers with different arrangements and find that their intragap features appear either shifted or split with respect to single atoms. These spectral variations are associated with the magnetic coupling, ferromagnetic or antiferromagnetic, of the dimer, as confirmed by density functional theory simulations. The striking qualitative differences between the observed tunneling spectra prove that intragap Shiba states are extremely sensitive to the magnetic ordering on the atomic scale.

SPECTRAL SMILE CORRECTION IN CRISM HYPERSPECTRAL IMAGES

NASA Astrophysics Data System (ADS)

Ceamanos, X.; Doute, S.

2009-12-01

The Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) is affected by a common artifact in "push-broom" sensors, the so-called "spectral smile". As a consequence, both central wavelength and spectral width of the spectral response vary along the across-track dimension, thus giving rise to a shifting and smoothing of spectra (see Fig. 1 (left)). In fact, both effects are greater for spectra on the edges, while they are minimum for data acquired by central detectors, the so-called "sweet spot". The prior artifacts become particularly critical for Martian observations which contain steep spectra such as CO2 ice-rich polar images. Fig. 1 (right) shows the horizontal brightness gradient which appears in every band corresponding to a steep portion of spectra. The correction of CRISM spectral smile is addressed using a two-step method which aims at modifying data sensibly in order to mimic the optimal CRISM response. First, all spectra, which are previously interpolated by cubic splines, are resampled to the "sweet spot" wavelengths in order to overcome the spectra shift. Secondly, the non-uniform spectral width is overcome by mimicking an increase of spectral resolution thanks to a spectral sharpening. In order to minimize noise, only bands particularly suffering from smile are selected. First, bands corresponding to the outliers of the Minimum Noise Transformation (MNF) eigenvector, which corresponds to the MNF band related to smile (MNF-smile), are selected. Then, a spectral neighborhood Θi, which takes into account the local spectral convexity or concavity, is defined for every selected band in order to maximize spectral shape preservation. The proposed sharpening technique takes into account both the instrument parameters and the observed spectra. First, every reflectance value belonging to a Θi is reevaluated by a sharpening which depends on a ratio of the spectral width of the current detector and the "sweet spot" one. Then, the optimal degree of sharpening for every Θi is determined thanks to a loop of sharpening procedures, which is assessed by the examination of an estimation of the smile energy (the MNF-smile eigenvalue). As a matter of fact, a higher sharpening is performed on Θi as long as the smile energy decreases. Experiments on CRISM data show remarkable results regarding the decrease of smile energy (up to 80%) and the spectral shape preservation. In fact, initial smile-affected spectra do no longer show shifting nor smoothing (see Fig. 2). Line-averaged spectra and band 155 of FRT5AE3_07 showing spectral smile effects Line-averaged spectra and band 155 of smile-corrected FRT5AE3_07

Molecular Imaging for Breast Cancer Using Magnetic Resonance-Guided Positron Emission Mammography and Excitation-Resolved Near-Infrared Fluorescence Imaging

NASA Astrophysics Data System (ADS)

Cho, Jaedu

The aim of this work is to develop novel breast-specific molecular imaging techniques for management of breast cancer. In this dissertation, we describe two novel molecular imaging approaches for breast cancer management. In Part I, we introduce our multimodal molecular imaging approach for breast cancer therapy monitoring using magnetic resonance imaging and positron emission mammography (MR/PEM). We have focused on the therapy monitoring technique for aggressive cancer molecular subtypes, which is challenging due to time constraint. Breast cancer therapy planning relies on a fast and accurate monitoring of functional and anatomical change. We demonstrate a proof-of-concept of sequential dual-modal magnetic resonance and positron emission mammography (MR/PEM) for the cancer therapy monitoring. We have developed dedicated breast coils with breast compression mechanism equipped with MR-compatible PEM detector heads. We have designed a fiducial marker that allows straightforward image registration of data obtained from MRI and PEM. We propose an optimal multimodal imaging procedure for MR/PEM. In Part II, we have focused on the development of a novel intraoperative near-infrared fluorescence imaging system (NIRF) for image-guided breast cancer surgery. Conventional spectrally-resolved NIRF systems are unable to resolve various NIR fluorescence dyes for the following reasons. First, the fluorescence spectra of viable NIR fluorescence dyes are heavily overlapping. Second, conventional emission-resolved NIRF suffers from a trade-off between the fluence rate and the spectral resolution. Third, the multiple scattering in tissue degrades not only the spatial information but also the spectral contents by the red-shift. We develop a wavelength-swept laser-based NIRF system that can resolve the excitation shift of various NIR fluorescence dyes without substantial loss of the fluence rate. A linear ratiometric model is employed to measure the relative shift of the excitation spectrum of a fluorescence dye.

A transition to white LED increases ecological impacts of nocturnal illumination on aquatic primary producers in a lowland agricultural drainage ditch.

PubMed

Grubisic, Maja; van Grunsven, Roy H A; Manfrin, Alessandro; Monaghan, Michael T; Hölker, Franz

2018-05-14

The increasing use of artificial light at night (ALAN) has led to exposure of freshwater ecosystems to light pollution worldwide. Simultaneously, the spectral composition of nocturnal illumination is changing, following the current shift in outdoor lighting technologies from traditional light sources to light emitting diodes (LED). LEDs emit broad-spectrum white light, with a significant amount of photosynthetically active radiation, and typically a high content of blue light that regulates circadian rhythms in many organisms. While effects of the shift to LED have been investigated in nocturnal animals, its impact on primary producers is unknown. We performed three field experiments in a lowland agricultural drainage ditch to assess the impacts of a transition from high-pressure sodium (HPS) to white LED illumination (color temperature 4000 K) on primary producers in periphyton. In all experiments, we compared biomass and pigment composition of periphyton grown under a natural light regime to that of periphyton exposed to nocturnal HPS or, consecutively, LED light of intensities commonly found in urban waters (approximately 20 lux). Periphyton was collected in time series (1-13 weeks). We found no effect of HPS light on periphyton biomass; however, following a shift to LED the biomass decreased up to 62%. Neither light source had a substantial effect on pigment composition. The contrasting effects of the two light sources on biomass may be explained by differences in their spectral composition, and in particular the blue content. Our results suggest that spectral composition of the light source plays a role in determining the impacts of ALAN on periphyton and that the ongoing transition to LED may increase the ecological impacts of artificial lighting on aquatic primary producers. Reduced biomass in the base of the food web can impact ecosystem functions such as productivity and food supply for higher trophic levels in nocturnally-lit ecosystems. Copyright © 2018 Elsevier Ltd. All rights reserved.

The application of the piecewise linear approximation to the spectral neighborhood of soil line for the analysis of the quality of normalization of remote sensing materials

NASA Astrophysics Data System (ADS)

Kulyanitsa, A. L.; Rukhovich, A. D.; Rukhovich, D. D.; Koroleva, P. V.; Rukhovich, D. I.; Simakova, M. S.

2017-04-01

The concept of soil line can be to describe the temporal distribution of spectral characteristics of the bare soil surface. In this case, the soil line can be referred to as the multi-temporal soil line, or simply temporal soil line (TSL). In order to create TSL for 8000 regular lattice points for the territory of three regions of Tula oblast, we used 34 Landsat images obtained in the period from 1985 to 2014 after their certain transformation. As Landsat images are the matrices of the values of spectral brightness, this transformation is the normalization of matrices. There are several methods of normalization that move, rotate, and scale the spectral plane. In our study, we applied the method of piecewise linear approximation to the spectral neighborhood of soil line in order to assess the quality of normalization mathematically. This approach allowed us to range normalization methods according to their quality as follows: classic normalization > successive application of the turn and shift > successive application of the atmospheric correction and shift > atmospheric correction > shift > turn > raw data. The normalized data allowed us to create the maps of the distribution of a and b coefficients of the TSL. The map of b coefficient is characterized by the high correlation with the ground-truth data obtained from 1899 soil pits described during the soil surveys performed by the local institute for land management (GIPROZEM).

Achromatic registration of quadrature components of the optical spectrum in spectral domain optical coherence tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shilyagin, P A; Gelikonov, G V; Gelikonov, V M

2014-07-31

We have thoroughly investigated the method of simultaneous reception of spectral components with the achromatised quadrature phase shift between two portions of a reference wave, designed for the effective suppression of the 'mirror' artefact in the resulting image obtained by means of spectral domain optical coherence tomography (SD OCT). We have developed and experimentally tested a phase-shifting element consisting of a beam divider, which splits the reference optical beam into the two beams, and of delay lines being individual for each beam, which create a mutual phase difference of π/2 in the double pass of the reference beam. The phasemore » shift achromatism over a wide spectral range is achieved by using in the delay lines the individual elements with different dispersion characteristics. The ranges of admissible adjustment parameters of the achromatised delay line are estimated for exact and inexact conformity of the geometric characteristics of its components to those calculated. A possibility of simultaneous recording of the close-to-quadrature spectral components with a single linear photodetector element is experimentally confirmed. The suppression of the artefact mirror peak in the OCT-signal by an additional 9 dB relative to the level of its suppression is experimentally achieved when the air delay line is used. Two-dimensional images of the surface positioned at an angle to the axis of the probe beam are obtained with the correction of the 'mirror' artefact while maintaining the dynamic range of the image. (laser biophotonics)« less

Raman Spectroscopic Signature Markers of Dopamine-Human Dopamine Transporter Interaction in Living Cells.

PubMed

Silwal, Achut P; Yadav, Rajeev; Sprague, Jon E; Lu, H Peter

2017-07-19

Dopamine (DA) controls many psychological and behavioral activities in the central nervous system (CNS) through interactions with the human dopamine transporter (hDAT) and dopamine receptors. The roles of DA in the function of the CNS are affected by the targeted binding of drugs to hDAT; thus, hDAT plays a critical role in neurophysiology and neuropathophysiology. An effective experimental method is necessary to study the DA-hDAT interaction and effects of variety of drugs like psychostimulants and antidepressants that are dependent on this interaction. In searching for obtaining and identifying the Raman spectral signatures, we have used surface enhanced Raman scattering (SERS) spectroscopy to record SERS spectra from DA, human embryonic kidney 293 cells (HEK293), hDAT-HEK293, DA-HEK293, and DA-hDAT-HEK293. We have demonstrated a specific 2D-distribution SERS spectral analytical approach to analyze DA-hDAT interaction. Our study shows that the Raman modes at 807, 839, 1076, 1090, 1538, and 1665 cm -1 are related to DA-hDAT interaction, where Raman shifts at 807 and 1076 cm -1 are the signature markers for the bound state of DA to probe DA-hDAT interaction. On the basis of density function theory (DFT) calculation, Raman shift of the bound state of DA at 807 cm -1 is related to combination of bending modes α(C3-O10-H21), α(C2-O11-H22), α(C7-C8-H18), α(C6-C4-H13), α(C7-C8-H19), and α(C7-C8-N9), and Raman shift at 1076 cm -1 is related to combination of bending modes α(H19-N9-C8), γ(N9-H19), γ(C8-H19), γ(N9-H20), γ(C8-H18), and α(C7-C8-H18). These findings demonstrate that protein-ligand interactions can be confirmed by probing change in Raman shift of ligand molecules, which could be crucial to understanding molecular interactions between neurotransmitters and their receptors or transporters.

Functional characterization of spectral tuning mechanisms in the great bowerbird short-wavelength sensitive visual pigment (SWS1), and the origins of UV/violet vision in passerines and parrots.

PubMed

van Hazel, Ilke; Sabouhanian, Amir; Day, Lainy; Endler, John A; Chang, Belinda S W

2013-11-13

One of the most striking features of avian vision is the variation in spectral sensitivity of the short wavelength sensitive (SWS1) opsins, which can be divided into two sub-types: violet- and UV- sensitive (VS & UVS). In birds, UVS has been found in both passerines and parrots, groups that were recently shown to be sister orders. While all parrots are thought to be UVS, recent evidence suggests some passerine lineages may also be VS. The great bowerbird (Chlamydera nuchalis) is a passerine notable for its courtship behaviours in which males build and decorate elaborate bower structures. The great bowerbird SWS1 sequence possesses an unusual residue combination at known spectral tuning sites that has not been previously investigated in mutagenesis experiments. In this study, the SWS1 opsin of C. nuchalis was expressed along with a series of spectral tuning mutants and ancestral passerine SWS1 pigments, allowing us to investigate spectral tuning mechanisms and explore the evolution of UV/violet sensitivity in early passerines and parrots. The expressed C. nuchalis SWS1 opsin was found to be a VS pigment, with a λmax of 403 nm. Bowerbird SWS1 mutants C86F, S90C, and C86S/S90C all shifted λmax into the UV, whereas C86S had no effect. Experimentally recreated ancestral passerine and parrot/passerine SWS1 pigments were both found to be VS, indicating that UV sensitivity evolved independently in passerines and parrots from a VS ancestor. Our mutagenesis studies indicate that spectral tuning in C. nuchalis is mediated by mechanisms similar to those of other birds. Interestingly, our ancestral sequence reconstructions of SWS1 in landbird evolution suggest multiple transitions from VS to UVS, but no instances of the reverse. Our results not only provide a more precise prediction of where these spectral sensitivity shifts occurred, but also confirm the hypothesis that birds are an unusual exception among vertebrates where some descendants re-evolved UVS from a violet type ancestor. The re-evolution of UVS from a VS type pigment has not previously been predicted elsewhere in the vertebrate phylogeny.

Spectral Tuning of Killer Whale (Orcinus orca) Rhodopsin: Evidence for Positive Selection and Functional Adaptation in a Cetacean Visual Pigment.

PubMed

Dungan, Sarah Z; Kosyakov, Alexander; Chang, Belinda S W

2016-02-01

Cetaceans have undergone a remarkable evolutionary transition that was accompanied by many sensory adaptations, including modification of the visual system for underwater environments. Recent sequencing of cetacean genomes has made it possible to begin exploring the molecular basis of these adaptations. In this study we use in vitro expression methods to experimentally characterize the first step of the visual transduction cascade, the light activation of rhodopsin, for the killer whale. To investigate the spectral effects of amino acid substitutions thought to correspond with absorbance shifts relative to terrestrial mammals, we used the orca gene as a background for the first site-directed mutagenesis experiments in a cetacean rhodopsin. The S292A mutation had the largest effect, and was responsible for the majority of the spectral difference between killer whale and bovine (terrestrial) rhodopsin. Using codon-based likelihood models, we also found significant evidence for positive selection in cetacean rhodopsin sequences, including on spectral tuning sites we experimentally mutated. We then investigated patterns of ecological divergence that may be correlated with rhodopsin functional variation by using a series of clade models that partitioned the data set according to phylogeny, habitat, and foraging depth zone. Only the model partitioning according to depth was significant. This suggests that foraging dives might be a selective regime influencing cetacean rhodopsin divergence, and our experimental results indicate that spectral tuning may be playing an adaptive role in this process. Our study demonstrates that combining computational and experimental methods is crucial for gaining insight into the selection pressures underlying molecular evolution. © The Author 2015. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

``Ultimate'' information content in solar and stellar spectra. Photospheric line asymmetries and wavelength shifts

NASA Astrophysics Data System (ADS)

Dravins, Dainis

2008-12-01

Context: Spectral-line asymmetries (displayed as bisectors) and wavelength shifts are signatures of the hydrodynamics in solar and stellar atmospheres. Theory may precisely predict idealized lines, but accuracies in real observed spectra are limited by blends, few suitable lines, imprecise laboratory wavelengths, and instrumental imperfections. Aims: We extract bisectors and shifts until the “ultimate” accuracy limits in highest-quality solar and stellar spectra, so as to understand the various limits set by (i) stellar physics (number of relevant spectral lines, effects of blends, rotational line broadening); by (ii) observational techniques (spectral resolution, photometric noise); and by (iii) limitations in laboratory data. Methods: Several spectral atlases of the Sun and bright solar-type stars were examined for those thousands of “unblended” lines with the most accurate laboratory wavelengths, yielding bisectors and shifts as averages over groups of similar lines. Representative data were obtained as averages over groups of similar lines, thus minimizing the effects of photometric noise and of random blends. Results: For the solar-disk center and integrated sunlight, the bisector shapes and shifts were extracted for previously little-studied species (Fe II, Ti I, Ti II, Cr II, Ca I, C I), using recently determined and very accurate laboratory wavelengths. In Procyon and other F-type stars, a sharp blueward bend in the bisector near the spectral continuum is confirmed, revealing line saturation and damping wings in upward-moving photospheric granules. Accuracy limits are discussed: “astrophysical” noise due to few measurable lines, finite instrumental resolution, superposed telluric absorption, inaccurate laboratory wavelengths, and calibration noise in spectrometers, together limiting absolute lineshift studies to ≈50-100 m s-1. Conclusions: Spectroscopy with resolutions λ/Δλ ≈ 300 000 and accurate wavelength calibration will enable bisector studies for many stars. Circumventing remaining limits of astrophysical noise in line-blends and rotationally smeared profiles may ultimately require spectroscopy across spatially resolved stellar disks, utilizing optical interferometers and extremely large telescopes of the future. Tables are only available in electronic form at http://www.aanda.org

Spectral lines behavior of Be I and Na I isoelectronic sequence in Debye plasma environment

NASA Astrophysics Data System (ADS)

Chaudhuri, Rajat K.; Chattopadhyay, Sudip; Sinha Mahapatra, Uttam

2012-08-01

We report the plasma screening effect on the first ionization potential (IP) and [He]2s2(1S0)→[He]2s2p /2s3p allowed (P11) and inter-combination transitions (P31) in some selected Be-like ions. In addition, we investigate the spectral properties of [Ne]3s (2S1/2)→[Ne]np(2P1/2 and P23/2 for n = 3, 4) transitions in Ca X and Fe XVI ions (Na I isoelectronic sequence) and [He]3s(2S1/2)→[He]np(2P1/2 and P23/2 for n = 2, 3) transitions in Li, B II, and N IV (Li I isoelectronic sequence) under plasma environment. The state-of-the-art relativistic coupled cluster calculations using the Debye model of plasma for electron-nucleus interaction show that (a) the ionization potential decreases sharply with increasing plasma strength and (b) the gap between the [He]2s2(1S0)→[He]2s2p(1,3P1) energy levels increases with increasing plasma potential and nuclear charge. It is found that the [He]2s2 (1S0)→2s3p(1,3P1) transition energy decreases uniformly with increasing plasma potential and nuclear charge. In other words, the spectral lines associated with 2s-2p (i.e., Δn=0, where n corresponds to principle quantum number) transitions in Be I isoelectronic sequence exhibit a blue-shift (except for Be I, B II, and the lowest inter-combination line in C III, which exhibit a red-shift), whereas those associated with 2s-3p (i.e., Δn≠0) transitions are red-shifted. Similar trend is observed in Li I and Na I isoelectronic sequences, where spectral lines associated with Δn=0 (Δn≠0) are blue-shifted (red-shifted). The effect of Coulomb screening on the spectral lines of ions subjected to plasma is also addressed.

Preliminary evaluation of the Environmental Research Institute of Michigan crop calendar shift algorithm for estimation of spring wheat development stage. [North Dakota, South Dakota, Montana, and Minnesota

NASA Technical Reports Server (NTRS)

Phinney, D. E. (Principal Investigator)

1980-01-01

An algorithm for estimating spectral crop calendar shifts of spring small grains was applied to 1978 spring wheat fields. The algorithm provides estimates of the date of peak spectral response by maximizing the cross correlation between a reference profile and the observed multitemporal pattern of Kauth-Thomas greenness for a field. A methodology was developed for estimation of crop development stage from the date of peak spectral response. Evaluation studies showed that the algorithm provided stable estimates with no geographical bias. Crop development stage estimates had a root mean square error near 10 days. The algorithm was recommended for comparative testing against other models which are candidates for use in AgRISTARS experiments.

Fiber Bragg grating ring resonators under rotation for angular velocity sensing.

PubMed

Campanella, C E; De Leonardis, F; Passaro, V M N

2015-05-20

In this paper we investigate the possibility of using hybrid resonators based on fiber Bragg grating ring resonators (FBGRRs) and π-shifted FBGRRs (i.e., defective FBGRRs) as rotation sensitive elements for gyroscope applications. In particular, we model the conventional fiber Bragg grating (FBG) with the coupled mode theory by taking into account how the Sagnac effect, induced by the rotation, modifies the eigenvalues, the photonic band gap, and the spectral response of the FBG. Then, on the basis of the FBG model under rotation conditions, the spectral responses of the FBGRR and π-FBGRR have been evaluated, confirming that the Sagnac effect manifests itself with a spectral shift of the eigensolutions. This physical investigation can be exploited for opening new ways in the optical gyroscope platforms.

Spectral studies on the interaction of pinacyanol chloride with binary surfactants in aqueous medium.

PubMed

Manna, Kausik; Panda, Amiya Kumar

2009-12-01

Interaction of pinacyanol chloride (PIN) with pure and binary mixtures of cetyltrimethylammonium bromide (CTAB) and sodium deoxycholate (NaDC) was spectroscopically studied. Interaction of PIN with pure NaDC produced a blue shifted metachromatic band (at approximately 502 nm), which gradually shifted to higher wavelength region as the concentration of NaDC increased in the pre-micellar stage. For CTAB only intensity of both the bands increased without any shift. Mixed surfactant systems behaved differently than the pure components. Absorbance of monomeric band with a slight red-shift, and a simultaneous decrease in the absorbance of dimeric band of PIN, were observed for all the combinations in the post-micellar region. PIN-micelle binding constant (K(b)) for pure as well as mixed was determined from spectral data using Benesi-Hildebrand equation. Using the idea of Regular Solution Theory, micellar aggregates were assumed to be predominant than other aggregated state, like vesicles. Aggregation number was determined by fluorescence quenching method. Spectral analyses were also done to evaluate CMC values. Rubinigh's model for Regular Solution Theory was employed to evaluate the interaction parameters and micellar composition. Strong synergistic interaction between the oppositely charged surfactants was noted. Bulkier nature of NaDC lowered down its access in mixed micellar system.

Fiber Bragg grating interrogation using a wavelength modulated 1651-nm tunable distributed feedback laser and a fiber ring resonator for wearable biomedical sensors

NASA Astrophysics Data System (ADS)

Roy, Anirban; Chakraborty, Arup Lal; Jha, Chandan Kumar

2017-04-01

This paper demonstrates the interrogation of a fiber Bragg grating with a flat-topped reflection spectrum centred on 1649.55 nm using only a single mode tunable 1651.93 nm semiconductor laser and a fiber ring resonator. The Bragg shift is accurately measured with the fiber-optic ring resonator that has a free spectral range (FSR) of 0.1008 GHz and a broadband photo-detector. Laser wavelength modulation and harmonic detection are used to transform the gentle edges of the flat-topped FBG spectrum into prominent leading and trailing peaks, either of which can be used to accurately measure spectral shifts of the FBG reflection spectrum with a resolution of 0.9 pm. A Raspberry Pi-based low-cost embedded processor is used to measure the temperature-induced spectral shifts over the range 30˚C - 80˚C. The shift was linear with a temperature sensitivity of 12.8 pm/˚C. This technique does not use an optical spectrum analyzer at any stage of its design or operation. The laser does not need to be pre-characterized either. This technique can be readily extended to all types of tunable diode lasers and is ideally suited for compact field instruments.

Inversion of the anomalous diffraction approximation for variable complex index of refraction near unity. [numerical tests for water-haze aerosol model

NASA Technical Reports Server (NTRS)

Smith, C. B.

1982-01-01

The Fymat analytic inversion method for retrieving a particle-area distribution function from anomalous diffraction multispectral extinction data and total area is generalized to the case of a variable complex refractive index m(lambda) near unity depending on spectral wavelength lambda. Inversion tests are presented for a water-haze aerosol model. An upper-phase shift limit of 5 pi/2 retrieved an accurate peak area distribution profile. Analytical corrections using both the total number and area improved the inversion.

Joint quantum measurement using unbalanced array detection.

PubMed

Beck, M; Dorrer, C; Walmsley, I A

2001-12-17

We have measured the joint Q-function of a highly multimode field using unbalanced heterodyne detection with a charge-coupled device array detector. We use spectral interferometry between a weak signal field and a strong, 100 fs duration local oscillator pulse to reconstruct the joint quadrature amplitude statistics of about 25 temporal modes. By adjusting the time delay between the signal and local oscillator pulses we are able to shift all the classical noise to modes distinct from the signal. This obviates the need to use a balanced detector.

Volume versus surface-mediated recombination in anatase TiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Cavigli, Lucia; Bogani, Franco; Vinattieri, Anna; Faso, Valentina; Baldi, Giovanni

2009-09-01

We present an experimental study of the radiative recombination dynamics in size-controlled anatase TiO2 nanoparticles in the range 20-130 nm. From time-integrated photoluminescence spectra and picosecond time-resolved experiments as a function of the nanoparticle size, excitation density, and temperature, we show that photoluminescence comes out from a bulk and a surface radiative recombination. The spectral shift and the different time dynamics provide a clear distinction between them. Moreover, the intrinsic nature of the emission is also proven, providing a quantitative evaluation of volume and surface contributions.

Angular and Intensity Dependent Spectral Modulations in High Harmonics from N2

NASA Astrophysics Data System (ADS)

McFarland, Brian; Farrell, Joseph; Bucksbaum, Philip; Guehr, Markus

2009-05-01

The spectral amplitude and phase modulation of high harmonics (HHG) in molecules provides important clues to molecular structure and dynamics in strong laser fields. We have studied these effects in aligned N2. Earlier results of HHG experiments claimed that the spectral amplitude modulation was predominantly due to geometrical interference between the recombining electron and the highest occupied molecular orbital (HOMO) [1]. We report evidence that contradicts this simple view. We observe a phase jump accompanied by a spectral minimum for HHG in aligned N2. The minimum shifts to lower harmonics as the angle between the molecular axis and harmonic generation polarization increases, and shifts to higher harmonics with increasing harmonic generation intensity. The features observed cannot be fully explained by a geometrical model. We discuss alternative explanations involving multi orbital effects [2]. [0pt] [1] Lein et al., Phys. Rev. A, 66, 023805 (2002) [2] B. K. McFarland, J. P. Farrell, P. H. Bucksbaum and M. Gühr, Science 322, 1232 (2008)

Design of a high-speed optical dark-soliton detector using a phase-shifted waveguide Bragg grating in reflection.

PubMed

Ngo, Nam Quoc

2007-12-01

A theoretical study of a new application of a simple pi-phase-shifted waveguide Bragg grating (PSWBG) in reflection mode as a high-speed optical dark-soliton detector is presented. The PSWBG consists of two concatenated identical uniform waveguide Bragg gratings with a pi phase shift between them. The reflective PSWBG, with grating reflectivities equal to 0.9, a free spectral range of 1.91 THz, and a nonlinear phase response, can convert a 40 Gbit/s noisy dark-soliton signal into a high-quality 40 Gbit/s return-to-zero signal with a peak power level of approximately 17.5 dB greater than that by the existing Mach-Zehnder interferometer with free spectral range of 1.91 THz and a linear phase response.

Low-to-High Confinement Transition Mediated by Turbulence Radial Wave Number Spectral Shift in a Fusion Plasma.

PubMed

Xu, G S; Wan, B N; Wang, H Q; Guo, H Y; Naulin, V; Rasmussen, J Juul; Nielsen, A H; Wu, X Q; Yan, N; Chen, L; Shao, L M; Chen, R; Wang, L; Zhang, W

2016-03-04

A new model for the low-to-high (L-H) confinement transition has been developed based on a new paradigm for turbulence suppression by velocity shear [G. M. Staebler et al., Phys. Rev. Lett. 110, 055003 (2013)]. The model indicates that the L-H transition can be mediated by a shift in the radial wave number spectrum of turbulence, as evidenced here, for the first time, by the direct observation of a turbulence radial wave number spectral shift and turbulence structure tilting prior to the L-H transition at tokamak edge by direct probing. This new mechanism does not require a pretransition overshoot in the turbulent Reynolds stress, shunting turbulence energy to zonal flows for turbulence suppression as demonstrated in the experiment.

Wide field-of-view dual-band multispectral muzzle flash detection

NASA Astrophysics Data System (ADS)

Montoya, J.; Melchor, J.; Spiliotis, P.; Taplin, L.

2013-06-01

Sensor technologies are undergoing revolutionary advances, as seen in the rapid growth of multispectral methodologies. Increases in spatial, spectral, and temporal resolution, and in breadth of spectral coverage, render feasible sensors that function with unprecedented performance. A system was developed that addresses many of the key hardware requirements for a practical dual-band multispectral acquisition system, including wide field of view and spectral/temporal shift between dual bands. The system was designed using a novel dichroic beam splitter and dual band-pass filter configuration that creates two side-by-side images of a scene on a single sensor. A high-speed CMOS sensor was used to simultaneously capture data from the entire scene in both spectral bands using a short focal-length lens that provided a wide field-of-view. The beam-splitter components were arranged such that the two images were maintained in optical alignment and real-time intra-band processing could be carried out using only simple arithmetic on the image halves. An experiment related to limitations of the system to address multispectral detection requirements was performed. This characterized the system's low spectral variation across its wide field of view. This paper provides lessons learned on the general limitation of key hardware components required for multispectral muzzle flash detection, using the system as a hardware example combined with simulated multispectral muzzle flash and background signatures.

Automated Interpretation and Extraction of Topographic Information from Time of Flight Secondary Ion Mass Spectrometry Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ievlev, Anton V.; Belianinov, Alexei; Jesse, Stephen

Time of flight secondary ion mass spectrometry (ToF SIMS) is one of the most powerful characterization tools allowing imaging of the chemical properties of various systems and materials. It allows precise studies of the chemical composition with sub-100-nm lateral and nanometer depth spatial resolution. However, comprehensive interpretation of ToF SIMS results is challengeable, because of the data volume and its multidimensionality. Furthermore, investigation of the samples with pronounced topographical features are complicated by the spectral shift. In this work we developed approach for the comprehensive ToF SIMS data interpretation based on the data analytics and automated extraction of the samplemore » topography based on time of flight shift. We further applied this approach to investigate correlation between biological function and chemical composition in Arabidopsis roots.« less

Automated Interpretation and Extraction of Topographic Information from Time of Flight Secondary Ion Mass Spectrometry Data

DOE PAGES

Ievlev, Anton V.; Belianinov, Alexei; Jesse, Stephen; ...

2017-12-06

Time of flight secondary ion mass spectrometry (ToF SIMS) is one of the most powerful characterization tools allowing imaging of the chemical properties of various systems and materials. It allows precise studies of the chemical composition with sub-100-nm lateral and nanometer depth spatial resolution. However, comprehensive interpretation of ToF SIMS results is challengeable, because of the data volume and its multidimensionality. Furthermore, investigation of the samples with pronounced topographical features are complicated by the spectral shift. In this work we developed approach for the comprehensive ToF SIMS data interpretation based on the data analytics and automated extraction of the samplemore » topography based on time of flight shift. We further applied this approach to investigate correlation between biological function and chemical composition in Arabidopsis roots.« less

Formation of 238U16O and 238U18O observed by time-resolved emission spectroscopy subsequent to laser ablation

NASA Astrophysics Data System (ADS)

Weisz, David G.; Crowhurst, Jonathan C.; Siekhaus, Wigbert J.; Rose, Timothy P.; Koroglu, Batikan; Radousky, Harry B.; Zaug, Joseph M.; Armstrong, Michael R.; Isselhardt, Brett H.; Savina, Michael R.; Azer, Magdi; Finko, Mikhail S.; Curreli, Davide

2017-07-01

We have measured vibronic emission spectra of an oxide of uranium formed after laser ablation of the metal in gaseous oxygen. Specifically, we have measured the time-dependent relative intensity of a band located at approximately 593.6 nm in 16O2. This band grew in intensity relative to neighboring atomic features as a function time in an oxygen environment but was relatively invariant with time in argon. In addition, we have measured the spectral shift of this band in an 18O2 atmosphere. Based on this shift, and by comparison with earlier results obtained from free-jet expansion and laser excitation, we can confirm that the oxide in question is UO, consistent with recent reports based on laser ablation in 16O2 only.

TYPE Ia SUPERNOVA DISTANCE MODULUS BIAS AND DISPERSION FROM K-CORRECTION ERRORS: A DIRECT MEASUREMENT USING LIGHT CURVE FITS TO OBSERVED SPECTRAL TIME SERIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saunders, C.; Aldering, G.; Aragon, C.

2015-02-10

We estimate systematic errors due to K-corrections in standard photometric analyses of high-redshift Type Ia supernovae. Errors due to K-correction occur when the spectral template model underlying the light curve fitter poorly represents the actual supernova spectral energy distribution, meaning that the distance modulus cannot be recovered accurately. In order to quantify this effect, synthetic photometry is performed on artificially redshifted spectrophotometric data from 119 low-redshift supernovae from the Nearby Supernova Factory, and the resulting light curves are fit with a conventional light curve fitter. We measure the variation in the standardized magnitude that would be fit for a givenmore » supernova if located at a range of redshifts and observed with various filter sets corresponding to current and future supernova surveys. We find significant variation in the measurements of the same supernovae placed at different redshifts regardless of filters used, which causes dispersion greater than ∼0.05 mag for measurements of photometry using the Sloan-like filters and a bias that corresponds to a 0.03 shift in w when applied to an outside data set. To test the result of a shift in supernova population or environment at higher redshifts, we repeat our calculations with the addition of a reweighting of the supernovae as a function of redshift and find that this strongly affects the results and would have repercussions for cosmology. We discuss possible methods to reduce the contribution of the K-correction bias and uncertainty.« less

Wavelength Shifting in InP based Ultra-thin Quantum Well Infrared Photodetectors

NASA Technical Reports Server (NTRS)

Sengupta, D. K.; Gunapala, S. D.; Bandara, S. V.; Pool, F.; Liu, J. K.; McKelvy, M.

1998-01-01

We have demonstrated red-shifting of the wavelength response of a bound-to-continuum p-type ultra-thin InGaAs/Inp quantum well infrared photodetector after growth via rapid thermal annealing. Compared to the as-grown detector, the peak spectral response of the annealed detector was shifted to longer wavelength without any major degradation in responsivity characteristics.

Simulations of absorption spectra of conjugated oligomers: role of planar conformation and aggregation in condensed phase

NASA Astrophysics Data System (ADS)

Yuan, Xiang-Ai; Wen, Jin; Zheng, Dong; Ma, Jing

2018-04-01

This Review highlights the structure/property relationship underlying the morphology modulation through various factors towards the exploration of light-absorbing materials for efficient utilisation of solar power. Theoretical study using a combination of molecular dynamics imulations and the time-dependent density functional theory demonstrated that the planarity plays an important role in tuning spectral properties of oligomer aggregates. The aggregation-induced blue-shift in absorption spectra of oligothiophenes and the red-shift for oligofluorenols were rationalised in a unified way from the reduced (and increased) content of planar conformations in molecular aggregates. The planarity versus non-planarity of oligomers can be modulated by introduction of alkyl side chain or steric bulky substituents. The substitution with various groups in the ortho-position of azobenzene leads to the distorted backbone, breaking symmetry, and hence the red-shift in spectra, expanding the application in biological systems with visible light absorption. The donor-acceptor substituent groups in conjugated oligomers can increase the degree of planarity, electron delocalisation and polarisation, and charge separation, giving rise to the red-shift in spectra and enhancement in polarisability and charge mobility for device applications. The solvent dependent and pH-sensitive properties and intramolecular hydrogen bonds also caused the shift of absorption spectra with the appearance of planar conformers.

A Blue Spectral Shift of the Hemoglobin Soret Band Correlates with the Age (Time Since Deposition) of Dried Bloodstains

PubMed Central

Hanson, Erin K.; Ballantyne, Jack

2010-01-01

The ability to determine the time since deposition of a bloodstain found at a crime scene could prove invaluable to law enforcement investigators, defining the time frame in which the individual depositing the evidence was present. Although various methods of accomplishing this have been proposed, none has gained widespread use due to poor time resolution and weak age correlation. We have developed a method for the estimation of the time since deposition (TSD) of dried bloodstains using UV-VIS spectrophotometric analysis of hemoglobin (Hb) that is based upon its characteristic oxidation chemistry. A detailed study of the Hb Soret band (λmax = 412 nm) in aged bloodstains revealed a blue shift (shift to shorter wavelength) as the age of the stain increases. The extent of this shift permits, for the first time, a distinction to be made between bloodstains that were deposited minutes, hours, days and weeks prior to recovery and analysis. The extent of the blue shift was found to be a function of ambient relative humidity and temperature. The method is extremely sensitive, requiring as little as a 1 µl dried bloodstain for analysis. We demonstrate that it might be possible to perform TSD measurements at the crime scene using a portable low-sample-volume spectrophotometer. PMID:20877468

Spectral emission from the alkali inductively-coupled plasma: Theory and experiment

NASA Astrophysics Data System (ADS)

Bazurto, R.; Huang, M.; Camparo, J.

2018-04-01

The weakly-ionized, alkali inductively-coupled plasma (ICP) has a long history as the light source for optical pumping. Today, its most significant application is perhaps in the rubidium atomic frequency standard (RAFS), arguably the workhorse of atomic timekeeping in space, where it is crucial to the RAFS' functioning and performance (and routinely referred to as the RAFS' "rf-discharge lamp"). In particular, the photon flux from the lamp determines the signal-to-noise ratio of the device, and variations in ICP brightness define the long-term frequency stability of the atomic clock as a consequence of the ac-Stark shift (i.e., the light-shift). Given the importance of Rb atomic clocks to diverse satellite navigation systems (e.g., GPS, Galileo, BeiDou) - and thereby the importance of alkali ICPs to these systems - it is somewhat surprising to find that the physical processes occurring within the discharge are not well understood. As a consequence, researchers do not understand how to improve the spectral emission from the lamp except at a trial-and-error level, nor do they fully understand the nonlinear mechanisms that result in ICP light instability. Here, we take a first step in developing an intuitive, semi-quantitative model of the alkali rf-discharge lamp, and we perform a series of experiments to validate the theory's predictions.

Grouping and the pitch of a mistuned fundamental component: Effects of applying simultaneous multiple mistunings to the other harmonics.

PubMed

Roberts, Brian; Holmes, Stephen D

2006-12-01

Mistuning a harmonic produces an exaggerated change in its pitch. This occurs because the component becomes inconsistent with the regular pattern that causes the other harmonics (constituting the spectral frame) to integrate perceptually. These pitch shifts were measured when the fundamental (F0) component of a complex tone (nominal F0 frequency = 200 Hz) was mistuned by +8% and -8%. The pitch-shift gradient was defined as the difference between these values and its magnitude was used as a measure of frame integration. An independent and random perturbation (spectral jitter) was applied simultaneously to most or all of the frame components. The gradient magnitude declined gradually as the degree of jitter increased from 0% to +/-40% of F0. The component adjacent to the mistuned target made the largest contribution to the gradient, but more distant components also contributed. The stimuli were passed through an auditory model, and the exponential height of the F0-period peak in the averaged summary autocorrelation function correlated well with the gradient magnitude. The fit improved when the weighting on more distant channels was attenuated by a factor of three per octave. The results are consistent with a grouping mechanism that computes a weighted average of periodicity strength across several components.

Analysis of organophosphate-Zn metalloporphyrin interactions via UV-vis spectroscopy and molecular modeling.

PubMed

Rompoti, A; Dalal, N; Athanasopoulos, D; Rutan, S; Helburn, R

2015-01-25

UV-vis absorption spectra of zinc tetraphenylporphine (ZnTPP) on interaction with six organophosphorus (OP) compounds in cyclohexane were compared using ab initio methods and the molecular and solvation ligand descriptors π(*), Vx, and σ. OPs with polarizable hydrocarbon substituents in the homologous series tri-ethyl, -pentyl, -octyl, and -phenyl phosphates and the toxicologically relevant methyl paraoxon (1a-e) each gave a red shift in the Soret band (λsor) of ZnTPP in the range of 8-10 nm. Sensitivity as ΔAsor-b/Δug OP for the spectral band of the ligand bound ZnTPP (λsor-b) decreased with increasing extent of alkyl and aromatic substitution. Calculated and combined energies for OP and ZnTPP examined as a function of distance (Å) between ligand and porphyrin center suggest increased steric crowding with increasing Vx, and aromatic content of the OP. Spectrally fitted K1:1 and ΔAsor-b/ug OP each vary exponentially with Vx/σ. Lack of a red shift in λsor-b where ZnTPP was titrated with the toxic diethyl chlorophosphate (1g) is consistent with a model in which the magnitude of ΔEsor is proportional to the donor capacity of the phosphoryl-O ligand. Copyright © 2014 Elsevier B.V. All rights reserved.

Sensitivity of Chemical Shift-Encoded Fat Quantification to Calibration of Fat MR Spectrum

PubMed Central

Wang, Xiaoke; Hernando, Diego; Reeder, Scott B.

2015-01-01

Purpose To evaluate the impact of different fat spectral models on proton density fat-fraction (PDFF) quantification using chemical shift-encoded (CSE) MRI. Material and Methods Simulations and in vivo imaging were performed. In a simulation study, spectral models of fat were compared pairwise. Comparison of magnitude fitting and mixed fitting was performed over a range of echo times and fat fractions. In vivo acquisitions from 41 patients were reconstructed using 7 published spectral models of fat. T2-corrected STEAM-MRS was used as reference. Results Simulations demonstrate that imperfectly calibrated spectral models of fat result in biases that depend on echo times and fat fraction. Mixed fitting is more robust against this bias than magnitude fitting. Multi-peak spectral models showed much smaller differences among themselves than when compared to the single-peak spectral model. In vivo studies show all multi-peak models agree better (for mixed fitting, slope ranged from 0.967–1.045 using linear regression) with reference standard than the single-peak model (for mixed fitting, slope=0.76). Conclusion It is essential to use a multi-peak fat model for accurate quantification of fat with CSE-MRI. Further, fat quantification techniques using multi-peak fat models are comparable and no specific choice of spectral model is shown to be superior to the rest. PMID:25845713

Spectral reconstruction for shifted-excitation Raman difference spectroscopy (SERDS).

PubMed

Guo, Shuxia; Chernavskaia, Olga; Popp, Jürgen; Bocklitz, Thomas

2018-08-15

Fluorescence emission is one of the major obstacles to apply Raman spectroscopy in biological investigations. It is usually several orders more intense than Raman scattering and hampers further analysis. In cases where the fluorescence emission is too intense to be efficiently removed via routine mathematical baseline correction algorithms, an alternative approach is needed. One alternative approach is shifted-excitation Raman difference spectroscopy (SERDS), where two Raman spectra are recorded with two slightly different excitation wavelengths. Ideally, the fluorescence emission at the two excitations does not change while the Raman spectrum shifts according to the excitation wavelength. Hence the fluorescence is removed in the difference of the two recorded Raman spectra. For better interpretability a spectral reconstruction procedure is necessary to recover the fluorescence-free Raman spectrum. This is challenging due to the intensity variations between the two recorded Raman spectra caused by unavoidable experimental changes as well as the presence of noise. Existent approaches suffer from drawbacks like spectral resolution loss, fluorescence residual, and artefacts. In this contribution, we proposed a reconstruction method based on non-negative least squares (NNLS), where the intensity variations between the two measurements are utilized in the reconstruction model. The method achieved fluorescence-free reconstruction on three real-world SERDS datasets without significant information loss. Thereafter, we quantified the performance of the reconstruction based on artificial datasets from four aspects: reconstructed spectral resolution, precision of reconstruction, signal-to-noise-ratio (SNR), and fluorescence residual. The artificial datasets were constructed with varied Raman to fluorescence intensity ratio (RFIR), SNR, full-width at half-maximum (FWHM), excitation wavelength shift, and fluorescence variation between the two spectra. It was demonstrated that the NNLS approach provides a faithful reconstruction without significantly changing the spectral resolution. Meanwhile, the reconstruction is almost robust to fluorescence variations between the two spectra. Last but not the least the SNR was improved after reconstruction for extremely noisy SERDS datasets. Copyright © 2018 Elsevier B.V. All rights reserved.

The effect of the duration of jet aircraft flyover sounds on judged annoyance. [noise predictions and noise measurements of jet aircrafts and human reactions to the noise intensity

NASA Technical Reports Server (NTRS)

Shepherd, K. P.

1979-01-01

The effect of the duration of jet aircraft flyover sounds on humans and the annoyance factor are examined. A nine point numerical category scaling technique is utilized for the study. Changes in the spectral characteristics of aircraft sounds caused by atmospheric attenuation are discussed. The effect of Doppler shifts using aircraft noises with minimal pure tone content is reported. The spectral content of sounds independent of duration and Doppler shift are examined by analysis of variance.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mikhlina, Ya. A.; Bolotin, B. M., E-mail: bolotin70@yandex.ru; Uzhinov, B. M., E-mail: uzhinov@light.chem.msu.ru

In view of the dramatic difference in the spectral-luminescence properties of {alpha}-(p-chlorobenzoyl)-4-diethylaminocinnamonitrile and {alpha}-ethoxycarbonyl-4-diethylaminocinnamonitrile in solutions and in the crystalline state, X-ray diffraction analysis has been applied to study crystals of these compounds. The intermolecular C-H...N and C-H...O hydrogen bonds are found to contribute to the quinoidization of molecules, which leads to a bathochromic shift in the absorption and fluorescence spectra. A spectral-luminescence study of the aforementioned compounds has revealed that the solvent temperature and polarity affect the position of absorption and luminescence peaks: a decrease in these parameters causes a hypsochromic shift.

UV spectral shift of benzene in sub- and supercritical water

NASA Astrophysics Data System (ADS)

Kometani, Noritsugu; Takemiya, Koji; Yonezawa, Yoshiro; Amita, Fujitsugu; Kajimoto, Okitsugu

2004-08-01

UV absorption spectra of benzene have been measured over the wide range of temperature and pressure from the ambient state to the supercritical state ( T = 400 °C and P = 40 MPa). The analysis of the spectral shift of benzene in water relative to that in the gas indicates that at T = 380 and 390 °C the local solvent density around benzene is likely to be depressed below the bulk density for densities near the critical density. It is found that π-hydrogen bond between benzene and water becomes evident with lowering temperature below T = 340 °C.

Bent optical fiber tapers for refractometery and biosensing

NASA Astrophysics Data System (ADS)

Penchev, Emil; Eftimov, Tinko; Bock, Wojtek

2015-01-01

We report the results of our study of the spectral shifts caused by surrounding refractive index changes (SRI) in bent fibre tapers. Fused and etched fibre tapers were fabricated using a gas burner and HF acid. Spectral shifts as high as 200 nm have been observed for SRI variations from 1.33 to 1.44 and sensitivity as high as 830 nm/r.i.u. around water RI values. We present results for refractometric measurements of cow milk of varying fat content and compare results with those obtained with conventional Abbe refractometers and high sensitivity double resonance LPGs.

Measurement of Cerenkov radiation induced by the gamma-rays of Co-60 therapy units using wavelength shifting fiber.

PubMed

Jang, Kyoung Won; Shin, Sang Hun; Kim, Seon Geun; Kim, Jae Seok; Yoo, Wook Jae; Ji, Young Hoon; Lee, Bongsoo

2014-04-21

In this study, a wavelength shifting fiber that shifts ultra-violet and blue light to green light was employed as a sensor probe of a fiber-optic Cerenkov radiation sensor. In order to characterize Cerenkov radiation generated in the developed wavelength shifting fiber and a plastic optical fiber, spectra and intensities of Cerenkov radiation were measured with a spectrometer. The spectral peaks of light outputs from the wavelength shifting fiber and the plastic optical fiber were measured at wavelengths of 500 and 510 nm, respectively, and the intensity of transmitted light output of the wavelength shifting fiber was 22.2 times higher than that of the plastic optical fiber. Also, electron fluxes and total energy depositions of gamma-ray beams generated from a Co-60 therapy unit were calculated according to water depths using the Monte Carlo N-particle transport code. The relationship between the fluxes of electrons over the Cerenkov threshold energy and the energy depositions of gamma-ray beams from the Co-60 unit is a near-identity function. Finally, percentage depth doses for the gamma-ray beams were obtained using the fiber-optic Cerenkov radiation sensor, and the results were compared with those obtained by an ionization chamber. The average dose difference between the results of the fiber-optic Cerenkov radiation sensor and those of the ionization chamber was about 2.09%.

Spectral Effects for an Ultrashort Pulse Train Propagating in a Two-Level Atom Medium

NASA Astrophysics Data System (ADS)

Liu, Bing-Xin; Gong, Shang-Qing; Song, Xiao-Hong; Li, Ru-Xin; Xu, Zhi-Zhan

2005-06-01

We investigate the spectra of a femtosecond pulse train propagating in a resonant two-level atom (TLA) medium. It is found that higher spectral components can be produced even for a 2π femtosecond pulse train. Furthermore, the spectral effects depend crucially on both the relative shift Φ and the delay time τ between the successive pulses of the femtosecond pulse train.

An achromatic four-mirror compensator for spectral ellipsometers

NASA Astrophysics Data System (ADS)

Kovalev, V. I.; Rukovishnikov, A. I.; Kovalev, S. V.; Kovalev, V. V.; Rossukanyi, N. M.

2017-07-01

Measurement and calculation results are presented that confirm that design four-mirror compensators can be designed for the spectral range of 200-2000 nm that is widely used in modern spectral ellipsometers. Measurements and calculations according to standard ellipsometric programs have been carried out on a broadband LED spectral ellipsometer with switching of orthogonal polarization states. Mirrors with the structure of glass substrate/Al2O3 layer (20-30 nm thick)/Al layer (150 nm thick)/upper Al2O3 layer (with specified thickness d) have been prepared by vacuum-evaporation method. It is shown that the phase-shift spectra of a four-mirror compensator, two mirrors of which have a native oxide 5.5 nm thick and the two others of which have an oxide layer 36 nm thick, measured on the ellipsometer, are flattened in comparison with similar spectra of a compensator, all four mirrors of which have a native oxide, especially in the short-wavelength spectral region. The results of calculating the phase-shift spectra of the four-mirror compensator with six variable parameters (angles of incidence of radiation on the mirrors and thicknesses of oxide layers on four mirrors) are presented. High-quality achromatization in a wide spectral range can be achieved for certain sets of parameters.

Effects of modulation phase on profile analysis in normal-hearing and hearing-impaired listeners

NASA Astrophysics Data System (ADS)

Rogers, Deanna; Lentz, Jennifer

2003-04-01

The ability to discriminate between sounds with different spectral shapes in the presence of amplitude modulation was measured in normal-hearing and hearing-impaired listeners. The standard stimulus was the sum of equal-amplitude modulated tones, and the signal stimulus was generated by increasing the level of half the tones (up components) and decreasing the level of half the tones (down components). The down components had the same modulation phase, and a phase shift was applied to the up components to encourage segregation from the down tones. The same phase shift was used in both standard and signal stimuli. Profile-analysis thresholds were measured as a function of the phase shift between up and down components. The phase shifts were 0, 30, 45, 60, 90, and 180 deg. As expected, thresholds were lowest when all tones had the same modulation phase and increased somewhat with increasing phase disparity. This small increase in thresholds was similar for both groups. These results suggest that hearing-impaired listeners are able to use modulation phase to group sounds in a manner similar to that of normal listeners. [Work supported by NIH (DC 05835).

Assessment of spectral, misregistration, and spatial uncertainties inherent in the cross-calibration study

USGS Publications Warehouse

Chander, G.; Helder, D.L.; Aaron, David; Mishra, N.; Shrestha, A.K.

2013-01-01

Cross-calibration of satellite sensors permits the quantitative comparison of measurements obtained from different Earth Observing (EO) systems. Cross-calibration studies usually use simultaneous or near-simultaneous observations from several spaceborne sensors to develop band-by-band relationships through regression analysis. The investigation described in this paper focuses on evaluation of the uncertainties inherent in the cross-calibration process, including contributions due to different spectral responses, spectral resolution, spectral filter shift, geometric misregistrations, and spatial resolutions. The hyperspectral data from the Environmental Satellite SCanning Imaging Absorption SpectroMeter for Atmospheric CartograpHY and the EO-1 Hyperion, along with the relative spectral responses (RSRs) from the Landsat 7 Enhanced Thematic Mapper (TM) Plus and the Terra Moderate Resolution Imaging Spectroradiometer sensors, were used for the spectral uncertainty study. The data from Landsat 5 TM over five representative land cover types (desert, rangeland, grassland, deciduous forest, and coniferous forest) were used for the geometric misregistrations and spatial-resolution study. The spectral resolution uncertainty was found to be within 0.25%, spectral filter shift within 2.5%, geometric misregistrations within 0.35%, and spatial-resolution effects within 0.1% for the Libya 4 site. The one-sigma uncertainties presented in this paper are uncorrelated, and therefore, the uncertainties can be summed orthogonally. Furthermore, an overall total uncertainty was developed. In general, the results suggested that the spectral uncertainty is more dominant compared to other uncertainties presented in this paper. Therefore, the effect of the sensor RSR differences needs to be quantified and compensated to avoid large uncertainties in cross-calibration results.

Standardization of milk infrared spectra for the retroactive application of calibration models.

PubMed

Bonfatti, V; Fleming, A; Koeck, A; Miglior, F

2017-03-01

The objective of this study was to standardize the infrared spectra obtained over time and across 2 milk laboratories of Canada to create a uniform historical database and allow (1) the retroactive application of calibration models for prediction of fine milk composition; and (2) the direct use of spectral information for the development of indicators of animal health and efficiency. Spectral variation across laboratories and over time was inspected by principal components analysis (PCA). Shifts in the PCA scores were detected over time, leading to the definition of different subsets of spectra having homogeneous infrared signal. To evaluate the possibility of using common equations on spectra collected by the 2 instruments and over time, we developed a standardization (STD) method. For each subset of data having homogeneous infrared signal, a total of 99 spectra corresponding to the percentiles of the distribution of the absorbance at each wavenumber were created and used to build the STD matrices. Equations predicting contents of saturated fatty acids, short-chain fatty acids, and C18:0 were created and applied on different subsets of spectra, before and after STD. After STD, bias and root mean squared error of prediction decreased by 66% and 32%, respectively. When calibration equations were applied to the historical nonstandardized database of spectra, shifts in the predictions could be observed over time for all investigated traits. Shifts in the distribution of the predictions over time corresponded to the shifts identified by the inspection of the PCA scores. After STD, shifts in the predicted fatty acid contents were greatly reduced. Standardization reduced spectral variability between instruments and over time, allowing the merging of milk spectra data from different instruments into a common database, the retroactive use of calibrations equations, or the direct use of the spectral data without restrictions. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

CCR5 RNA Pseudoknots: Residue and Site-Specific Labeling correlate Internal Motions with microRNA Binding.

PubMed

Chen, Bin; Longhini, Andrew P; Nußbaumer, Felix; Kreutz, Christoph; Dinman, Jonathan D; Dayie, T Kwaku

2018-04-11

Conformational dynamics of RNA molecules play a critical role in governing their biological functions. Measurements of RNA dynamic behavior sheds important light on sites that interact with their binding partners or cellular stimulators. However, such measurements using solution-state NMR are difficult for large RNA molecules (>70 nt; nt=nucleotides) owing to severe spectral overlap, homonuclear 13 C scalar couplings, and line broadening. Herein, a strategic combination of solid-phase synthesis, site-specific isotopic labeled phosphoramidites, and enzymatic ligation is introduced. This approach allowed the position-specific insertion of isotopic probes into a 96 nt CCR5 RNA fragment. Accurate measurements of functional dynamics using the Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion (RD) experiments enabled extraction of the exchange rates and populations of this RNA. NMR chemical shift perturbation analysis of the RNA/microRNA-1224 complex indicated that A90-C1' of the pseudoknot exhibits similar changes in chemical shift observed in the excited state. This work demonstrates the general applicability of a NMR-labeling strategy to probe functional RNA structural dynamics. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Noninvasive diagnosis of oral cancer by Stokes shift spectroscopy

NASA Astrophysics Data System (ADS)

Ebenezar, Jeyasingh; Ganesan, Singaravelu; Aruna, Prakasrao; Muralinaidu, Radhakrishnan

2014-03-01

The objective of this study is to evaluate the diagnostic potential of stokes shift (SS) spectroscopy (S3) for normal, precancer and cancerous oral lesions in vivo. The SS spectra were recorded in the 250 - 650 nm spectral range by simultaneously scanning both the excitation and emission wavelengths while keeping a fixed wavelength interval Δλ=20 nm between them. Characteristic, highly resolved peaks and significant spectral differences between normal and different pathological oral lesions observed around 300, 355, 395, and 420 nm which are attributed to tryptophan, collagen, and NADH respectively. Using S3 technique one can obtain the key fluorophores in a single scan and hence they can be targeted as a tumor markers in this study. In order to quantify the altered spectral differences between normal and different pathological oral lesions are verified by different ratio parameters.

Two-photon excited autofluorescence imaging of human retinal pigment epithelial cells

NASA Astrophysics Data System (ADS)

Han, Meng; Blindewald-Wittich, Almut; Holz, Frank G.; Giese, Günter; Niemz, Markolf H.; Snyder, Sarah; Sun, Hui; Yu, Jiayi; Agopov, Michael; La Schiazza, Olivier; Bille, Josef F.

2006-01-01

Degeneration of retinal pigment epithelial (RPE) cells severely impairs the visual function of retina photoreceptors. However, little is known about the events that trigger the death of RPE cells at the subcellular level. Two-photon excited autofluorescence (TPEF) imaging of RPE cells proves to be well suited to investigate both the morphological and the spectral characteristics of the human RPE cells. The dominant fluorophores of autofluorescence derive from lipofuscin (LF) granules that accumulate in the cytoplasm of the RPE cells with increasing age. Spectral TPEF imaging reveals the existence of abnormal LF granules with blue shifted autofluorescence in RPE cells of aging patients and brings new insights into the complicated composition of the LF granules. Based on a proposed two-photon laser scanning ophthalmoscope, TPEF imaging of the living retina may be valuable for diagnostic and pathological studies of age related eye diseases.

Unsteady loads due to propulsive lift configurations. Part A: Investigation of scaling laws

NASA Technical Reports Server (NTRS)

Morton, J. B.; Haviland, J. K.

1978-01-01

This study covered scaling laws, and pressure measurements made to determine details of the large scale jet structure and to verify scaling laws by direct comparison. The basis of comparison was a test facility at NASA Langley in which a JT-15D exhausted over a boilerplater airfoil surface to reproduce upper surface blowing conditions. A quarter scale model was built of this facility, using cold jets. A comparison between full scale and model pressure coefficient spectra, presented as functions of Strouhal numbers, showed fair agreement, however, a shift of spectral peaks was noted. This was not believed to be due to Mach number or Reynolds number effects, but did appear to be traceable to discrepancies in jet temperatures. A correction for jet temperature was then tried, similar to one used for far field noise prediction. This was found to correct the spectral peak discrepancy.

Spectral tunability of two-photon states generated by spontaneous four-wave mixing: fibre tapering, temperature variation and longitudinal stress

NASA Astrophysics Data System (ADS)

Ortiz-Ricardo, E.; Bertoni-Ocampo, C.; Ibarra-Borja, Z.; Ramirez-Alarcon, R.; Cruz-Delgado, D.; Cruz-Ramirez, H.; Garay-Palmett, K.; U'Ren, A. B.

2017-09-01

We explore three different mechanisms designed to controllably tune the joint spectrum of photon pairs produced by the spontaneous four-wave mixing (SFWM) process in optical fibres. The first of these is fibre tapering, which exploits the modified optical dispersion resulting from reducing the core radius. We have presented a theory of SFWM for tapered fibres, as well as experimental results for the SFWM coincidence spectra as a function of the reduction in core radius due to tapering. The other two techniques that we have explored are temperature variation and application of longitudinal stress. While the maximum spectral shift observed with these two techniques is smaller than for fibre tapering, they are considerably simpler to implement and have the important advantage that they are based on the use of a single, suitably controlled, fibre specimen.

Advanced photonic filters based on cascaded Sagnac loop reflector resonators in silicon-on-insulator nanowires

NASA Astrophysics Data System (ADS)

Wu, Jiayang; Moein, Tania; Xu, Xingyuan; Moss, David J.

2018-04-01

We demonstrate advanced integrated photonic filters in silicon-on-insulator (SOI) nanowires implemented by cascaded Sagnac loop reflector (CSLR) resonators. We investigate mode splitting in these standing-wave (SW) resonators and demonstrate its use for engineering the spectral profile of on-chip photonic filters. By changing the reflectivity of the Sagnac loop reflectors (SLRs) and the phase shifts along the connecting waveguides, we tailor mode splitting in the CSLR resonators to achieve a wide range of filter shapes for diverse applications including enhanced light trapping, flat-top filtering, Q factor enhancement, and signal reshaping. We present the theoretical designs and compare the CSLR resonators with three, four, and eight SLRs fabricated in SOI. We achieve versatile filter shapes in the measured transmission spectra via diverse mode splitting that agree well with theory. This work confirms the effectiveness of using CSLR resonators as integrated multi-functional SW filters for flexible spectral engineering.

Spectral Ripple Discrimination in Normal-Hearing Infants.

PubMed

Horn, David L; Won, Jong Ho; Rubinstein, Jay T; Werner, Lynne A

Spectral resolution is a correlate of open-set speech understanding in postlingually deaf adults and prelingually deaf children who use cochlear implants (CIs). To apply measures of spectral resolution to assess device efficacy in younger CI users, it is necessary to understand how spectral resolution develops in normal-hearing children. In this study, spectral ripple discrimination (SRD) was used to measure listeners' sensitivity to a shift in phase of the spectral envelope of a broadband noise. Both resolution of peak to peak location (frequency resolution) and peak to trough intensity (across-channel intensity resolution) are required for SRD. SRD was measured as the highest ripple density (in ripples per octave) for which a listener could discriminate a 90° shift in phase of the sinusoidally-modulated amplitude spectrum. A 2 × 3 between-subjects design was used to assess the effects of age (7-month-old infants versus adults) and ripple peak/trough "depth" (10, 13, and 20 dB) on SRD in normal-hearing listeners (experiment 1). In experiment 2, SRD thresholds in the same age groups were compared using a task in which ripple starting phases were randomized across trials to obscure within-channel intensity cues. In experiment 3, the randomized starting phase method was used to measure SRD as a function of age (3-month-old infants, 7-month-old infants, and young adults) and ripple depth (10 and 20 dB in repeated measures design). In experiment 1, there was a significant interaction between age and ripple depth. The infant SRDs were significantly poorer than the adult SRDs at 10 and 13 dB ripple depths but adult-like at 20 dB depth. This result is consistent with immature across-channel intensity resolution. In contrast, the trajectory of SRD as a function of depth was steeper for infants than adults suggesting that frequency resolution was better in infants than adults. However, in experiment 2 infant performance was significantly poorer than adults at 20 dB depth suggesting that variability of infants' use of within-channel intensity cues, rather than better frequency resolution, explained the results of experiment 1. In experiment 3, age effects were seen with both groups of infants showing poorer SRD than adults but, unlike experiment 1, no significant interaction between age and depth was seen. Measurement of SRD thresholds in individual 3 to 7-month-old infants is feasible. Performance of normal-hearing infants on SRD may be limited by across-channel intensity resolution despite mature frequency resolution. These findings have significant implications for design and stimulus choice for applying SRD for testing infants with CIs. The high degree of variability in infant SRD can be somewhat reduced by obscuring within-channel cues.

Spectral Ripple Discrimination in Normal Hearing Infants

PubMed Central

Horn, David L.; Won, Jong Ho; Rubinstein, Jay T.; Werner, Lynne A.

2016-01-01

Objectives Spectral resolution is a correlate of open-set speech understanding in post-lingually deaf adults as well as pre-lingually deaf children who use cochlear implants (CIs). In order to apply measures of spectral resolution to assess device efficacy in younger CI users, it is necessary to understand how spectral resolution develops in NH children. In this study, spectral ripple discrimination (SRD) was used to measure listeners’ sensitivity to a shift in phase of the spectral envelope of a broadband noise. Both resolution of peak to peak location (frequency resolution) and peak to trough intensity (across-channel intensity resolution) are required for SRD. Design SRD was measured as the highest ripple density (in ripples per octave) for which a listener could discriminate a 90 degree shift in phase of the sinusoidally-modulated amplitude spectrum. A 2X3 between subjects design was used to assess the effects of age (7-month-old infants versus adults) and ripple peak/trough “depth” (10, 13, and 20 dB) on SRD in normal hearing listeners (Experiment 1). In Experiment 2, SRD thresholds in the same age groups were compared using a task in which ripple starting phases were randomized across trials to obscure within-channel intensity cues. In Experiment 3, the randomized starting phase method was used to measure SRD as a function of age (3-month-old infants, 7-month-old infants, and young adults) and ripple depth (10 and 20 dB in repeated measures design). Results In Experiment 1, there was a significant interaction between age and ripple depth. The Infant SRDs were significantly poorer than the adult SRDs at 10 and 13 dB ripple depths but adult-like at 20 dB depth. This result is consistent with immature across-channel intensity resolution. In contrast, the trajectory of SRD as a function of depth was steeper for infants than adults suggesting that frequency resolution was better in infants than adults. However, in Experiment 2 infant performance was significantly poorer than adults at 20 dB depth suggesting that variability of infants’ use of within-channel intensity cues, rather than better frequency resolution, explained the results of Experiment 1. In Experiment 3, age effects were seen with both groups of infants showing poorer SRD than adults but, unlike Experiment 1, no significant interaction between age and depth was seen. Conclusions Measurement of SRD thresholds in individual 3 to 7-month-old infants is feasible. Performance of NH infants on SRD may be limited by across-channel intensity resolution despite mature frequency resolution. These findings have significant implications for design and stimulus choice for applying SRD for testing infants with CIs. The high degree of variability in infant SRD can be somewhat reduced by obscuring within-channel cues. PMID:27768611

An ab initio density functional study of the optical functions of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystals.

PubMed

Reshak, Ali H; Kityk, I V; Khenata, R; Al-Douri, Y; Auluck, S

2012-09-01

An ab initio investigation of the optical constants of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystal is performed within a framework of local density approximation (LDA), and the Engel-Vosko generalized gradient approximation (EV-GGA) exchange correlation potentials. It is established that there are two independent molecules (A and B) exhibiting different intra-molecular interactions: C-H⋯O (A) and C-H⋯N (B). These intra-molecular interactions favor stabilization of the crystal structure for molecules A and B. It should be emphasized that there exist remarkable π-π interactions between the pyrimidine rings of the two neighbors B molecules giving extra strengths and stabilizations to the superamolecular structure. These different intra-molecular interactions C-H⋯O (A) and C-H⋯N (B) and the π-π interaction between the pyrimidine rings of the two neighbors B molecules give principal contribution to dispersion of optical properties. With a view to seek deeper insight into the electronic structure, the optical properties were investigated. Our calculations show that the optical constants are very anisotropic. The EVGGA calculation shows a blue spectral shift of around 0.024 eV with significant changes in the spectra compared to the LDA calculation. The observed spectral shifts are in agreement with the calculated band structure and corresponding electron density of states. Copyright © 2012 Elsevier B.V. All rights reserved.

Bi-cubic interpolation for shift-free pan-sharpening

NASA Astrophysics Data System (ADS)

Aiazzi, Bruno; Baronti, Stefano; Selva, Massimo; Alparone, Luciano

2013-12-01

Most of pan-sharpening techniques require the re-sampling of the multi-spectral (MS) image for matching the size of the panchromatic (Pan) image, before the geometric details of Pan are injected into the MS image. This operation is usually performed in a separable fashion by means of symmetric digital low-pass filtering kernels with odd lengths that utilize piecewise local polynomials, typically implementing linear or cubic interpolation functions. Conversely, constant, i.e. nearest-neighbour, and quadratic kernels, implementing zero and two degree polynomials, respectively, introduce shifts in the magnified images, that are sub-pixel in the case of interpolation by an even factor, as it is the most usual case. However, in standard satellite systems, the point spread functions (PSF) of the MS and Pan instruments are centered in the middle of each pixel. Hence, commercial MS and Pan data products, whose scale ratio is an even number, are relatively shifted by an odd number of half pixels. Filters of even lengths may be exploited to compensate the half-pixel shifts between the MS and Pan sampling grids. In this paper, it is shown that separable polynomial interpolations of odd degrees are feasible with linear-phase kernels of even lengths. The major benefit is that bi-cubic interpolation, which is known to represent the best trade-off between performances and computational complexity, can be applied to commercial MS + Pan datasets, without the need of performing a further half-pixel registration after interpolation, to align the expanded MS with the Pan image.

Application of MCD spectroscopy and TD-DFT to a highly non-planar porphyrinoid ring system. New insights on red-shifted porphyrinoid spectral bands.

PubMed

Mack, John; Asano, Yoshiaki; Kobayashi, Nagao; Stillman, Martin J

2005-12-21

The first magnetic circular dichroism (MCD) spectra are reported for tetraphenyltetraacenaphthoporphyrin (TPTANP). The impact on the electronic structure of steric interactions between the fused acenaphthalene rings and the meso-tetraphenyl substituents is explored based on an analysis of the optical spectra of the Zn(II) complex (ZnTPTANP) and the free base dication species ([H4TPTANP]2+). In the case of ZnTPTANP, significant folding of the porphyrinoid ligand induces a highly unusual MCD-sign reversal providing the first direct spectroscopic evidence of ligand nonplanarity. Density functional theory (DFT) geometry optimizations for a wide range of Zn(II) porphyrinoids based on the B3LYP functional and TD-DFT calculations of the associated UV-visible absorption spectra are reported, allowing a complete assessment of the MCD data. TPTANP complexes are found to fall into a class of cyclic polyenes, termed as soft MCD chromophores by Michl (J. Pure Appl. Chem. 1980, 52, 1549.), since the signs of the Faraday A1 terms observed in the MCD spectrum are highly sensitive to slight structural changes. The origin of an unusually large red shift of the main B (or Soret) band of MTPTANP (the most red shifted ever reported for fused-ring-expanded metal porphines) and of similar red shifts observed in the spectra of other peripherally crowded porphyrinoid complexes is also explored and explained on this basis.

Temperature dependence of Lorentz air-broadening and pressure-shift coefficients of (12)CH4 lines in the 2.3-micron spectral region

NASA Technical Reports Server (NTRS)

Devi, V. Malathy; Benner, D. Chris; Smith, M. A. H.; Rinsland, C. P.

1994-01-01

High-resolution (0.01/cm) absorption spectra of lean mixtures of CH4 in dry air were recorded with the McMath-Pierce Fourier transform spectrometer (FTS) of the National Solar Observatory on Kitt Peak at various temperatures between 24 and -61 C. The spectra have been analyzed to determine the values at room temperature of pressure-broadened widths and pressure-induced shifts of more than 740 transitions. The temperature dependence of air-broadened widths and pressure-induced shifts was deduced for approx. 370 transitions in the nu(sub 1) + nu(sub 4), nu(sub 3) + nu(sub 4), and nu(sub 2) + nu(sub 3) bands of (12)CH4 located between 4118 and 4615/cm. These results were obtained by analyzing a total of 29 spectra simultaneously using a multi-spectral non-linear least-squares fitting technique. This new technique allowed the determination of correlated spectral line parameters (e.g. intensity and broadening coefficient) better than the procedure of averaging values obtained by fitting the spectra individually. This method also provided a direct determination of the uncertainties in the retrieved parameters due to random errors. For each band analysed in this study the dependence of the various spectral line parameters upon the tetrahedral symmetry species and the rotational quantum numbers of the transitions is also presented.

PSYCHE Pure Shift NMR Spectroscopy.

PubMed

Foroozandeh, Mohammadali; Morris, Gareth; Nilsson, Mathias

2018-03-13

Broadband homodecoupling techniques in NMR, also known as "pure shift" methods, aim to enhance spectral resolution by suppressing the effects of homonuclear coupling interactions to turn multiplet signals into singlets. Such techniques typically work by selecting a subset of "active" nuclear spins to observe, and selectively inverting the remaining, "passive", spins to reverse the effects of coupling. Pure Shift Yielded by Chirp Excitation (PSYCHE) is one such method; it is relatively recent, but has already been successfully implemented in a range of different NMR experiments. Paradoxically, PSYCHE is one of the trickiest of pure shift NMR techniques to understand but one of the easiest to use. Here we offer some insights into theoretical and practical aspects of the method, and into the effects and importance of the experimental parameters. Some recent improvements that enhance the spectral purity of PSYCHE spectra will be presented, and some experimental frameworks including examples in 1D and 2D NMR spectroscopy, for the implementation of PSYCHE will be introduced. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Measurements of ultrasonic backscattered spectral centroid shift from spine in vivo: methodology and preliminary results.

PubMed

Garra, Brian S; Locher, Melanie; Felker, Steven; Wear, Keith A

2009-01-01

Ultrasonic backscatter measurements from vertebral bodies (L3 and L4) in nine women were performed using a clinical ultrasonic imaging system. Measurements were made through the abdomen. The location of a vertebra was identified from the bright specular reflection from the vertebral anterior surface. Backscattered signals were gated to isolate signal emanating from the cancellous interiors of vertebrae. The spectral centroid shift of the backscattered signal, which has previously been shown to correlate highly with bone mineral density (BMD) in human calcaneus in vitro, was measured. BMD was also measured in the nine subjects' vertebrae using a clinical bone densitometer. The correlation coefficient between centroid shift and BMD was r = -0.61. The slope of the linear fit was -160 kHz / (g/cm(2)). The negative slope was expected because the attenuation coefficient (and therefore magnitude of the centroid downshift) is known from previous studies to increase with BMD. The centroid shift may be a useful parameter for characterizing bone in vivo.

Spectral irradiance variations: comparison between observations and the SATIRE model on solar rotation time scales

NASA Astrophysics Data System (ADS)

Unruh, Y. C.; Krivova, N. A.; Solanki, S. K.; Harder, J. W.; Kopp, G.

2008-07-01

Aims: We test the reliability of the observed and calculated spectral irradiance variations between 200 and 1600 nm over a time span of three solar rotations in 2004. Methods: We compare our model calculations to spectral irradiance observations taken with SORCE/SIM, SoHO/VIRGO, and UARS/SUSIM. The calculations assume LTE and are based on the SATIRE (Spectral And Total Irradiance REconstruction) model. We analyse the variability as a function of wavelength and present time series in a number of selected wavelength regions covering the UV to the NIR. We also show the facular and spot contributions to the total calculated variability. Results: In most wavelength regions, the variability agrees well between all sets of observations and the model calculations. The model does particularly well between 400 and 1300 nm, but fails below 220 nm, as well as for some of the strong NUV lines. Our calculations clearly show the shift from faculae-dominated variability in the NUV to spot-dominated variability above approximately 400 nm. We also discuss some of the remaining problems, such as the low sensitivity of SUSIM and SORCE for wavelengths between approximately 310 and 350 nm, where currently the model calculations still provide the best estimates of solar variability.

[Spectral features analysis of Pinus massoniana with pest of Dendrolimus punctatus Walker and levels detection].

PubMed

Xu, Zhang-Hua; Liu, Jian; Yu, Kun-Yong; Gong, Cong-Hong; Xie, Wan-Jun; Tang, Meng-Ya; Lai, Ri-Wen; Li, Zeng-Lu

2013-02-01

Taking 51 field measured hyperspectral data with different pest levels in Yanping, Fujian Province as objects, the spectral reflectance and first derivative features of 4 levels of healthy, mild, moderate and severe insect pest were analyzed. On the basis of 7 detecting parameters construction, the pest level detecting models were built. The results showed that (1) the spectral reflectance of Pinus massoniana with pests were significantly lower than that of healthy state, and the higher the pest level, the lower the reflectance; (2) with the increase in pest level, the spectral reflectance curves' "green peak" and "red valley" of Pinus massoniana gradually disappeared, and the red edge was leveleds (3) the pest led to spectral "green peak" red shift, red edge position blue shift, but the changes in "red valley" and near-infrared position were complicated; (4) CARI, RES, REA and REDVI were highly relevant to pest levels, and the correlations between REP, RERVI, RENDVI and pest level were weak; (5) the multiple linear regression model with the variables of the 7 detection parameters could effectively detect the pest levels of Dendrolimus punctatus Walker, with both the estimation rate and accuracy above 0.85.

SDP_mharwit_1: Demonstration of HIFI Linear Polarization Analysis of Spectral Features

NASA Astrophysics Data System (ADS)

Harwit, M.

2010-03-01

We propose to observe the polarization of the 621 GHz water vapor maser in VY Canis Majoris to demonstrate the capability of HIFI to make polarization observations of Far-Infrared/Submillimeter spectral lines. The proposed Demonstration Phase would: - Show that HIFI is capable of interesting linear polarization measurements of spectral lines; - Test out the highest spectral resolving power to sort out closely spaced Doppler components; - Determine whether the relative intensities predicted by Neufeld and Melnick are correct; - Record the degree and direction of linear polarization for the closely-Doppler shifted peaks.

Doppler imaging using spectrally-encoded endoscopy

PubMed Central

Yelin, Dvir; Bouma, B. E.; Rosowsky, J. J.; Tearney, G. J.

2009-01-01

The capability to image tissue motion such as blood flow through an endoscope could have many applications in medicine. Spectrally encoded endoscopy (SEE) is a recently introduced technique that utilizes a single optical fiber and miniature diffractive optics to obtain endoscopic images through small diameter probes. Using spectral-domain interferometry, SEE is furthermore capable of three-dimensional volume imaging at video rates. Here we show that by measuring relative spectral phases, this technology can additionally measure Doppler shifts. Doppler SEE is demonstrated in flowing Intralipid phantoms and vibrating middle ear ossicles. PMID:18795020

Dynamic metabolic imaging of hyperpolarized [2-(13) C]pyruvate using spiral chemical shift imaging with alternating spectral band excitation.

PubMed

Josan, Sonal; Hurd, Ralph; Park, Jae Mo; Yen, Yi-Fen; Watkins, Ron; Pfefferbaum, Adolf; Spielman, Daniel; Mayer, Dirk

2014-06-01

In contrast to [1-(13) C]pyruvate, hyperpolarized [2-(13) C]pyruvate permits the ability to follow the (13) C label beyond flux through pyruvate dehydrogenase complex and investigate the incorporation of acetyl-coenzyme A into different metabolic pathways. However, chemical shift imaging (CSI) with [2-(13) C]pyruvate is challenging owing to the large spectral dispersion of the resonances, which also leads to severe chemical shift displacement artifacts for slice-selective acquisitions. This study introduces a sequence for three-dimensional CSI of [2-(13) C]pyruvate using spectrally selective excitation of limited frequency bands containing a subset of metabolites. Dynamic CSI data were acquired alternately from multiple frequency bands in phantoms for sequence testing and in vivo in rat heart. Phantom experiments verified the radiofrequency pulse design and demonstrated that the signal behavior of each group of resonances was unaffected by excitation of the other frequency bands. Dynamic three-dimensional (13) C CSI data demonstrated the sequence capability to image pyruvate, lactate, acetylcarnitine, glutamate, and acetoacetate, enabling the analysis of organ-specific spectra and metabolite time courses. The presented method allows CSI of widely separated resonances without chemical shift displacement artifact, acquiring multiple frequency bands alternately to obtain dynamic time-course information. This approach enables robust imaging of downstream metabolic products of acetyl-coenzyme A with hyperpolarized [2-(13) C]pyruvate. Copyright © 2013 Wiley Periodicals, Inc.

A shifted Jacobi collocation algorithm for wave type equations with non-local conservation conditions

NASA Astrophysics Data System (ADS)

Doha, Eid H.; Bhrawy, Ali H.; Abdelkawy, Mohammed A.

2014-09-01

In this paper, we propose an efficient spectral collocation algorithm to solve numerically wave type equations subject to initial, boundary and non-local conservation conditions. The shifted Jacobi pseudospectral approximation is investigated for the discretization of the spatial variable of such equations. It possesses spectral accuracy in the spatial variable. The shifted Jacobi-Gauss-Lobatto (SJ-GL) quadrature rule is established for treating the non-local conservation conditions, and then the problem with its initial and non-local boundary conditions are reduced to a system of second-order ordinary differential equations in temporal variable. This system is solved by two-stage forth-order A-stable implicit RK scheme. Five numerical examples with comparisons are given. The computational results demonstrate that the proposed algorithm is more accurate than finite difference method, method of lines and spline collocation approach

On-line measurement of lignin in wood pulp by color shift of fluorescence

DOEpatents

Jeffers, Larry A.; Malito, Michael L.

1996-01-01

Lignin concentrations from wood pulp samples are measured by applying an excitation light at a selected wavelength to the samples in order to cause the lignin to emit fluorescence. A spectral distribution of the fluorescence emission is then determined. The lignin concentration is then calculated based on the spectral distribution signal. The spectral distribution is quantified by either a wavelength centroid method or a band ratio method.

On-line measurement of lignin in wood pulp by color shift of fluorescence

DOEpatents

Jeffers, L.A.; Malito, M.L.

1996-01-23

Lignin concentrations from wood pulp samples are measured by applying an excitation light at a selected wavelength to the samples in order to cause the lignin to emit fluorescence. A spectral distribution of the fluorescence emission is then determined. The lignin concentration is then calculated based on the spectral distribution signal. The spectral distribution is quantified by either a wavelength centroid method or a band ratio method. 6 figs.

Scheduled napping as a countermeasure to sleepiness in air traffic controllers.

PubMed

Signal, Tracey Leigh; Gander, Philippa H; Anderson, Howard; Brash, Sue

2009-03-01

The aims of this study were to measure sleep during a planned nap on the night shift; and to use objective measures of performance and alertness to compare the effects of the nap opportunity versus staying awake. Twenty-eight air traffic controllers (mean age 36 years, nine women) completed four night shifts (two with early starts and two with late starts). Each type of night shift (early/late start) included a 40-min planned nap opportunity on one occasion and no nap on the other. Polysomnographic data were used to measure sleep and waking alertness [spectral power in the electroencephalogram (EEG) during the last hour of the night shift and the occurrence of slow rolling eye movements (SEMs) subsequent to the nap]. Psychomotor performance task [Psychomotor Vigilance Task (PVT)] was completed at the beginning and end of the shift, and after the nap (or an equivalent time if no nap was taken). Nap sleep latencies were relatively long (mean = 19 min) and total sleep time short (mean = 18 min), with minimal slow wave sleep (SWS, mean = 0%), and no rapid eye movement sleep. Nap sleep resulted in improved PVT performance (mean and slowest 10% of reaction time events), decreased spectral power in the EEG and reduced the likelihood of SEMs. The occurrence of SWS in the nap decreased spectral power in the EEG. This study indicates that although sleep taken at work is likely to be short and of poor quality it still results in an improvement in objective measures of alertness and performance.

In-situ identification of meat from different animal species by shifted excitation Raman difference spectroscopy

NASA Astrophysics Data System (ADS)

Sowoidnich, Kay; Kronfeldt, Heinz-Detlef

2012-05-01

The identification of food products and the detection of adulteration are of global interest for food safety and quality control. We present a non-invasive in-situ approach for the differentiation of meat from selected animal species using microsystem diode laser based shifted excitation Raman difference spectroscopy (SERDS) at 671 nm and 785 nm. In that way, the fingerprint Raman spectra can be used for identification without a disturbing fluorescence background masking Raman signals often occurring in the investigation of biological samples. Two miniaturized SERDS measurement heads including the diode laser and all optical elements are fiber-optically coupled to compact laboratory spectrometers. To realize two slightly shifted excitation wavelengths necessary for SERDS the 671 nm laser (spectral shift: 0.7 nm, optical power: 50 mW) comprises two separate laser cavities each with a volume Bragg grating for frequency selection whereas the 785 nm light source (spectral shift: 0.5 nm, optical power: 110 mW) is a distributed feedback laser. For our investigations we chose the most consumed meat types in the US and Europe, i.e. chicken and turkey as white meat as well as pork and beef as red meat species. The applied optical powers were sufficient to detect meat Raman spectra with integration times of 10 seconds pointing out the ability for a rapid discrimination of meat samples. Principal components analysis was applied to the SERDS spectra to reveal spectral differences between the animals suitable for their identification. The results will be discussed with respect to specific characteristics of the analyzed meat species.

Spectral fractionation detection of gold nanorod contrast agents using optical coherence tomography

PubMed Central

Jia, Yali; Liu, Gangjun; Gordon, Andrew Y.; Gao, Simon S.; Pechauer, Alex D.; Stoddard, Jonathan; McGill, Trevor J.; Jayagopal, Ashwath; Huang, David

2015-01-01

We demonstrate the proof of concept of a novel Fourier-domain optical coherence tomography contrast mechanism using gold nanorod contrast agents and a spectral fractionation processing technique. The methodology detects the spectral shift of the backscattered light from the nanorods by comparing the ratio between the short and long wavelength halves of the optical coherence tomography signal intensity. Spectral fractionation further divides the halves into sub-bands to improve spectral contrast and suppress speckle noise. Herein, we show that this technique can detect gold nanorods in intralipid tissue phantoms. Furthermore, cellular labeling by gold nanorods was demonstrated using retinal pigment epithelial cells in vitro. PMID:25836459

Collision Induced Velocity Changes from Molecular Dynamic Simulations. Application to the Spectral Shape of the Q(1) Raman Lines of H{_2}/H{_2}

NASA Astrophysics Data System (ADS)

Tran, H.; Hartmann, J. M.

2011-06-01

Collision induced velocity changes for pure H{_2} have been computed from classical dynamic simulations. The results have been compared with the Keilson-Storer model from four different points of view. The first involves various autocorrelation functions associated with the velocity. The second and third give more detailed information, and are time evolutions of some conditional probabilities for changes of the velocity modulus and orientation and the collision kernels themselves. The fourth considers the evolutions, with density, of the half widths of the Q(1) lines of the isotropic Raman (1-0) fundamental band and of the (2-0) overtone quadrupole band. These spectroscopic data enable an indirect test of the models since velocity changes translate into line-shape modifications through the speed dependence of collisional parameters and the Dicke narrowing of the Doppler contribution to the profile. The results indicate that, while the KS approach gives a poor description of detailed velocity-to-velocty changes, it leads to accurate results for the correlation functions and spectral shapes, quantities related to large averages over the velocity. It is also shown that the use of collision kernels directly derived from MDS lead to an almost perfect prediction of all considered quantities (correlation functions, conditional probabilities, and spectral shapes). Finally, the results stress the need for very accurate calculations of line-broadening and -shifting coefficients from the intermolecular potential to obviate the need for experimental data and permit fully meaningful tests of the models. H. Tran, J.M. Hartmann J. Chem. Phys. 130, 094301, 2009.

Hierarchy effect on electronic structure and core-to-valence transitions in bone tissue: perspectives in medical nanodiagnostics of mineralized bone

NASA Astrophysics Data System (ADS)

Samoilenko, Dmitrii O.; Avrunin, Alexander S.; Pavlychev, Andrey A.

2017-06-01

Electronic structure and core-to-valence transitions in bone tissue are examined in the framework of the morphological 3DSL model that takes into account (i) structural and functional organization of the skeleton in the normal and pathological conditions and (ii) peculiarities of electron wave propagation in a three-dimensional superlattice of "black-nanocrystallites-in-muddy-waters". Our focus is on the HAP-to-bone red shifts of core-to-valence transitions near Ca and P 2p and O 1s edges in single-crystal hydroxyapatite (HAP) Ca10(PO4)6(OH)2. The origin of the HAP-to-bone shift is discussed and the extended comparative analysis of the experimental data is performed. The detected spectral shift is assigned with the effect of hierarchical organization of bone tissue. This hierarchy effect on the core-to-valence transition energies is regarded as a promising tool for medical imaging and perspective pathway for nanodiagnostics of mineralized bone. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.

Electric field induced structural colour tuning of a silver/titanium dioxide nanoparticle one-dimensional photonic crystal

PubMed Central

Aluicio-Sarduy, Eduardo; Callegari, Simone; Figueroa del Valle, Diana Gisell; Desii, Andrea; Kriegel, Ilka

2016-01-01

Summary An electric field is employed for the active tuning of the structural colour in photonic crystals, which acts as an effective external stimulus with an impact on light transmission manipulation. In this work, we demonstrate structural colour in a photonic crystal device comprised of alternating layers of silver nanoparticles and titanium dioxide nanoparticles, exhibiting spectral shifts of around 10 nm for an applied voltage of only 10 V. The accumulation of charge at the metal/dielectric interface with an applied electric field leads to an effective increase of the charges contributing to the plasma frequency in silver. This initiates a blue shift of the silver plasmon band with a simultaneous blue shift of the photonic band gap as a result of the change in the silver dielectric function (i.e. decrease of the effective refractive index). These results are the first demonstration of active colour tuning in silver/titanium dioxide nanoparticle-based photonic crystals and open the route to metal/dielectric-based photonic crystals as electro-optic switches. PMID:27826514

Electric field induced structural colour tuning of a silver/titanium dioxide nanoparticle one-dimensional photonic crystal.

PubMed

Aluicio-Sarduy, Eduardo; Callegari, Simone; Figueroa Del Valle, Diana Gisell; Desii, Andrea; Kriegel, Ilka; Scotognella, Francesco

2016-01-01

An electric field is employed for the active tuning of the structural colour in photonic crystals, which acts as an effective external stimulus with an impact on light transmission manipulation. In this work, we demonstrate structural colour in a photonic crystal device comprised of alternating layers of silver nanoparticles and titanium dioxide nanoparticles, exhibiting spectral shifts of around 10 nm for an applied voltage of only 10 V. The accumulation of charge at the metal/dielectric interface with an applied electric field leads to an effective increase of the charges contributing to the plasma frequency in silver. This initiates a blue shift of the silver plasmon band with a simultaneous blue shift of the photonic band gap as a result of the change in the silver dielectric function (i.e. decrease of the effective refractive index). These results are the first demonstration of active colour tuning in silver/titanium dioxide nanoparticle-based photonic crystals and open the route to metal/dielectric-based photonic crystals as electro-optic switches.

VIIRS S-NPP Nighttime DNB Spectral Response Function (SRF): The At-launch Characteristics and How the SRF Changes with Time Due to Tungsten Oxides Chromaticity

NASA Astrophysics Data System (ADS)

Guenther, B.; Lei, N.; Moeller, C.

2015-12-01

The VIIRS Day-Night Band (DNB) is designed with 3 gain stages: Low (LGS), Mid (MGS) and High (HGS) to span bright daytime to moonlit night earth scene signal levels. The published at-launch DNB relative spectral response (RSR) is based upon the LGS spectral measurements, since it was well measured in the pre-launch test program and the LGS can be calibrated by the on-board solar diffuser (MGS and HGS saturate on the SD). The LGS RSR however does not fully represent the spectral characteristics of nighttime DNB data from the MGS and HGS. Nighttime data users who apply the detailed DNB spectral characteristics in their analyses should use modulated RSR appropriate to the MGS and HGS observations. The RSR modulation is due to spectral darkening of the 4 mirrors of the S-NPP VIIRS telescope, which were contaminated with tungsten oxides in fabrication. These tungsten oxides are 'in family' with transition lenses on eyeglasses that darken when exposed to sunlight but do not recover when VIIRS goes into darkness because VIIRS in space is in a vacuum (transition lenses require atmospheric oxygen to recover). The on-going mirror darkening has caused a time-dependent shift in DNB RSR towards blue wavelengths. This presentation will provide access to the correct RSR to use for S-NPP DNB nighttime data over the mission time on-orbit. The changes in characteristics will be described in engineering terms to facilitate clear user understanding of how to handle RSR for nighttime observations over the mission lifetime.

UV-Vis absorption spectra and electronic structure of merocyanines in the gas phase

NASA Astrophysics Data System (ADS)

Ishchenko, Alexander A.; Kulinich, Andrii V.; Bondarev, Stanislav L.; Raichenok, Tamara F.

2018-02-01

Gas-phase absorption spectra of a merocyanine vinylogous series have been studied for the first time. In vapour, their long-wavelength absorption bands were found to be considerably shifted hypsochromically, broader, more symmetrical, less intense, and their vinylene shift much smaller than even in low-polarity n-hexane. This indicates that in the gas phase their electronic structure closely approaches the nonpolar polyene limiting structure. The TDDFT calculations of the long-wavelength electronic transitions in the studied merocyanines in vacuo demonstrated good-to-excellent correlation - depending on the functional used - with the obtained experimental data. For comparison, the solvent effects was accounted for using the polarizable continuum model (PCM) with n-hexane and ethanol as low-polarity and high-polarity media, and compared with the UV-Vis spectral data in these solvents. In this case, the discrepancy between theory and experiment was much greater, increasing at that with the polymethine chain length.

Formation of 238U 16O and 238U 18O observed by time-resolved emission spectroscopy subsequent to laser ablation

DOE PAGES

Weisz, David G.; Crowhurst, Jonathan C.; Siekhaus, Wigbert J.; ...

2017-07-17

Here, we have measured vibronic emission spectra of an oxide of uranium formed after laser ablation of the metal in gaseous oxygen. Specifically, we have measured the time-dependent relative intensity of a band located at approximately 593.6 nm in 16O 2. This band grew in intensity relative to neighboring atomic features as a function time in an oxygen environment but was relatively invariant with time in argon. In addition, we have measured the spectral shift of this band in an 18O 2 atmosphere. Based on this shift, and by comparison with earlier results obtained from free-jet expansion and laser excitation,more » we can confirm that the oxide in question is UO, consistent with recent reports based on laser ablation in 16O 2 only.« less

Formation of 238U 16O and 238U 18O observed by time-resolved emission spectroscopy subsequent to laser ablation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weisz, David G.; Crowhurst, Jonathan C.; Siekhaus, Wigbert J.

Here, we have measured vibronic emission spectra of an oxide of uranium formed after laser ablation of the metal in gaseous oxygen. Specifically, we have measured the time-dependent relative intensity of a band located at approximately 593.6 nm in 16O 2. This band grew in intensity relative to neighboring atomic features as a function time in an oxygen environment but was relatively invariant with time in argon. In addition, we have measured the spectral shift of this band in an 18O 2 atmosphere. Based on this shift, and by comparison with earlier results obtained from free-jet expansion and laser excitation,more » we can confirm that the oxide in question is UO, consistent with recent reports based on laser ablation in 16O 2 only.« less

Bandwidth scalable, coherent transmitter based on the parallel synthesis of multiple spectral slices using optical arbitrary waveform generation.

PubMed

Geisler, David J; Fontaine, Nicolas K; Scott, Ryan P; He, Tingting; Paraschis, Loukas; Gerstel, Ori; Heritage, Jonathan P; Yoo, S J B

2011-04-25

We demonstrate an optical transmitter based on dynamic optical arbitrary waveform generation (OAWG) which is capable of creating high-bandwidth (THz) data waveforms in any modulation format using the parallel synthesis of multiple coherent spectral slices. As an initial demonstration, the transmitter uses only 5.5 GHz of electrical bandwidth and two 10-GHz-wide spectral slices to create 100-ns duration, 20-GHz optical waveforms in various modulation formats including differential phase-shift keying (DPSK), quaternary phase-shift keying (QPSK), and eight phase-shift keying (8PSK) with only changes in software. The experimentally generated waveforms showed clear eye openings and separated constellation points when measured using a real-time digital coherent receiver. Bit-error-rate (BER) performance analysis resulted in a BER < 9.8 × 10(-6) for DPSK and QPSK waveforms. Additionally, we experimentally demonstrate three-slice, 4-ns long waveforms that highlight the bandwidth scalable nature of the optical transmitter. The various generated waveforms show that the key transmitter properties (i.e., packet length, modulation format, data rate, and modulation filter shape) are software definable, and that the optical transmitter is capable of acting as a flexible bandwidth transmitter.

Health State Monitoring of Bladed Machinery with Crack Growth Detection in BFG Power Plant Using an Active Frequency Shift Spectral Correction Method.

PubMed

Sun, Weifang; Yao, Bin; He, Yuchao; Chen, Binqiang; Zeng, Nianyin; He, Wangpeng

2017-08-09

Power generation using waste-gas is an effective and green way to reduce the emission of the harmful blast furnace gas (BFG) in pig-iron producing industry. Condition monitoring of mechanical structures in the BFG power plant is of vital importance to guarantee their safety and efficient operations. In this paper, we describe the detection of crack growth of bladed machinery in the BFG power plant via vibration measurement combined with an enhanced spectral correction technique. This technique enables high-precision identification of amplitude, frequency, and phase information (the harmonic information) belonging to deterministic harmonic components within the vibration signals. Rather than deriving all harmonic information using neighboring spectral bins in the fast Fourier transform spectrum, this proposed active frequency shift spectral correction method makes use of some interpolated Fourier spectral bins and has a better noise-resisting capacity. We demonstrate that the identified harmonic information via the proposed method is of suppressed numerical error when the same level of noises is presented in the vibration signal, even in comparison with a Hanning-window-based correction method. With the proposed method, we investigated vibration signals collected from a centrifugal compressor. Spectral information of harmonic tones, related to the fundamental working frequency of the centrifugal compressor, is corrected. The extracted spectral information indicates the ongoing development of an impeller blade crack that occurred in the centrifugal compressor. This method proves to be a promising alternative to identify blade cracks at early stages.

Gender characteristics of cerebral hemodynamics during complex cognitive functioning.

PubMed

Misteli, Maria; Duschek, Stefan; Richter, André; Grimm, Simone; Rezk, Markus; Kraehenmann, Rainer; Boeker, Heinz; Seifritz, Erich; Schuepbach, Daniel

2011-06-01

Functional Transcranial Doppler sonography (fTCD) has been applied to assess peak mean cerebral blood flow velocity (MFV) with a high temporal resolution during cognitive activation. Yet, little attention has been devoted to gender-related alterations of MFV, including spectral analysis. In healthy subjects, fTCD was used to investigate a series of cerebral hemodynamic parameters in the middle cerebral arteries (MCA) during the Trail Making Tests (TMT), a means of selective attention and complex cognitive functioning. In females, there was a frequency peak at 0.375 Hz in both MCA, and we observed a dynamic shift in hemispheric dominance during that condition. Further, after the start phase, there was an MFV decline during complex functioning for the entire sample. These novel results suggest condition-specific features of cerebral hemodynamics in females, and it adds to the notion that gender is a fundamental confounder of brain physiology. Copyright © 2011 Elsevier Inc. All rights reserved.

A method based on the Jacobi tau approximation for solving multi-term time-space fractional partial differential equations

NASA Astrophysics Data System (ADS)

Bhrawy, A. H.; Zaky, M. A.

2015-01-01

In this paper, we propose and analyze an efficient operational formulation of spectral tau method for multi-term time-space fractional differential equation with Dirichlet boundary conditions. The shifted Jacobi operational matrices of Riemann-Liouville fractional integral, left-sided and right-sided Caputo fractional derivatives are presented. By using these operational matrices, we propose a shifted Jacobi tau method for both temporal and spatial discretizations, which allows us to present an efficient spectral method for solving such problem. Furthermore, the error is estimated and the proposed method has reasonable convergence rates in spatial and temporal discretizations. In addition, some known spectral tau approximations can be derived as special cases from our algorithm if we suitably choose the corresponding special cases of Jacobi parameters θ and ϑ. Finally, in order to demonstrate its accuracy, we compare our method with those reported in the literature.

Analytical minimization of synchronicity errors in stochastic identification

NASA Astrophysics Data System (ADS)

Bernal, D.

2018-01-01

An approach to minimize error due to synchronicity faults in stochastic system identification is presented. The scheme is based on shifting the time domain signals so the phases of the fundamental eigenvector estimated from the spectral density are zero. A threshold on the mean of the amplitude-weighted absolute value of these phases, above which signal shifting is deemed justified, is derived and found to be proportional to the first mode damping ratio. It is shown that synchronicity faults do not map precisely to phasor multiplications in subspace identification and that the accuracy of spectral density estimated eigenvectors, for inputs with arbitrary spectral density, decrease with increasing mode number. Selection of a corrective strategy based on signal alignment, instead of eigenvector adjustment using phasors, is shown to be the product of the foregoing observations. Simulations that include noise and non-classical damping suggest that the scheme can provide sufficient accuracy to be of practical value.

Quantum-mechanical calculations of magnesium aspartate arginine structure and spectroscopic characteristics

NASA Astrophysics Data System (ADS)

Marcoin, W.; Pasterny, K.; Wrzalik, R.

2005-05-01

Theoretical calculations of magnesium aspartate-arginine (Mg[Asp-Arg]) structure and spectroscopic characteristics have been performed in the gas phase with the GAUSSIAN 98 software package using density functional theory (DFT) at the B3PW91 level. The 6-31+G* basis set was selected due to their reasonable quality and size. The comparison with corresponding results for magnesium aspartate-glycine (Mg[Asp-Gly]) is presented. NMR and IR measurements were carried out and obtained experimental 1H and 13C chemical shifts and IR spectra are compared with calculated spectral parameters.

Optical signal splitting and chirping device modeling

NASA Astrophysics Data System (ADS)

Vinogradova, Irina L.; Andrianova, Anna V.; Meshkov, Ivan K.; Sultanov, Albert Kh.; Abdrakhmanova, Guzel I.; Grakhova, Elizaveta P.; Ishmyarov, Arsen A.; Yantilina, Liliya Z.; Kutlieva, Gulnaz R.

2017-04-01

This article examines the devices for optical signal splitting and chirping device modeling. Models with splitting and switching functions are taken into consideration. The described device for optical signal splitting and chirping represents interferential splitter with profiled mixer which provides allocation of correspondent spectral component from ultra wide band frequency diapason, and signal phase shift for aerial array (AA) directive diagram control. This paper proposes modeling for two types of devices for optical signal splitting and chirping: the interference-type optical signal splitting and chirping device and the long-distance-type optical signal splitting and chirping device.

Analysis of Biological Particles by Mass Spectrometry

DTIC Science & Technology

1984-10-23

approximately 20 nm thick layers of gold /palladium. f. 4( RESULTS Particle beam characterization. The objectives of this part of the study were to determine the...5 and produce a spectral shift in the light aborption chara- cteristics of the dye. Measuring this shift by conventional spectroscopy has 4 been the

Hybrid least squares multivariate spectral analysis methods

DOEpatents

Haaland, David M.

2004-03-23

A set of hybrid least squares multivariate spectral analysis methods in which spectral shapes of components or effects not present in the original calibration step are added in a following prediction or calibration step to improve the accuracy of the estimation of the amount of the original components in the sampled mixture. The hybrid method herein means a combination of an initial calibration step with subsequent analysis by an inverse multivariate analysis method. A spectral shape herein means normally the spectral shape of a non-calibrated chemical component in the sample mixture but can also mean the spectral shapes of other sources of spectral variation, including temperature drift, shifts between spectrometers, spectrometer drift, etc. The shape can be continuous, discontinuous, or even discrete points illustrative of the particular effect.

Hybrid least squares multivariate spectral analysis methods

DOEpatents

Haaland, David M.

2002-01-01

A set of hybrid least squares multivariate spectral analysis methods in which spectral shapes of components or effects not present in the original calibration step are added in a following estimation or calibration step to improve the accuracy of the estimation of the amount of the original components in the sampled mixture. The "hybrid" method herein means a combination of an initial classical least squares analysis calibration step with subsequent analysis by an inverse multivariate analysis method. A "spectral shape" herein means normally the spectral shape of a non-calibrated chemical component in the sample mixture but can also mean the spectral shapes of other sources of spectral variation, including temperature drift, shifts between spectrometers, spectrometer drift, etc. The "shape" can be continuous, discontinuous, or even discrete points illustrative of the particular effect.

Impact of the plasmonic near- and far-field resonance-energy shift on the enhancement of infrared vibrational signals.

PubMed

Vogt, Jochen; Huck, Christian; Neubrech, Frank; Toma, Andrea; Gerbert, David; Pucci, Annemarie

2015-09-07

We report on the impact of the differing spectral near- and far-field properties of resonantly excited gold nanoantennas on the vibrational signal enhancement in surface-enhanced infrared absorption (SEIRA). The knowledge on both spectral characteristics is of considerable importance for the optimization of plasmonic nanostructures for surface-enhanced spectroscopy techniques. From infrared micro-spectroscopic measurements, we simultaneously obtain spectral information on the plasmonic far-field response and, via SEIRA spectroscopy of a test molecule, on the near-field enhancement. The molecular test layer of 4,4'-bis(N-carbazolyl)-1,1'-biphenyl (CBP) was deposited on the surface of gold nanoantennas with different lengths and thus different far-field resonance energies. We carefully studied the Fano-type vibrational lines in a broad spectral window, in particular, how the various vibrational signals are enhanced in relation to the ratio of the far-field plasmonic resonance and the molecular vibrational frequencies. As a detailed experimental proof of former simulation studies, we show the clearly red-shifted maximum SEIRA enhancement compared to the far-field resonance.

Multi-parameter fiber optic sensors based on fiber random grating

NASA Astrophysics Data System (ADS)

Xu, Yanping; Zhang, Mingjiang; Lu, Ping; Mihailov, Stephen; Bao, Xiaoyi

2017-04-01

Two novel configurations of multi-parameter fiber-optic sensing systems based on the fiber random grating are reported. The fiber random grating is fabricated through femtosecond laser induced refractive index modification over a 10cm standard telecom single mode fiber. In one configuration, the reflective spectrum of the fiber random grating is directly detected and a wavelength-division spectral cross-correlation algorithm is adopted to extract the spectral shifts for simultaneous measurement of temperature, axial strain, and surrounding refractive index. In the other configuration, a random fiber ring laser is constructed by incorporating the random feedback from the random grating. Numerous polarization-dependent spectral filters are formed along the random grating and superimposed to provide multiple lasing lines with high signal-to-noise ratio up to 40dB, which enables a high-fidelity multi-parameter sensing scheme by monitoring the spectral shifts of the lasing lines. Without the need of phase mask for fabrication and with the high physical strength, the random grating based sensors are much simpler and more compact, which could be potentially an excellent alternative for liquid medical sample sensing in biomedical and biochemical applications.

STIS E140M Sensitivity Curves

NASA Astrophysics Data System (ADS)

Monroe, TalaWanda R.

2017-08-01

The spectrophotometric white dwarf G191-B2B will be observed with the E140M grating to obtain an updated set of sensitivity curves for this highly used mode. Spectroscopic sensitivity monitoring observations of BD+284211 have shown that the blaze function shapes have changed since SM4 and now limit the relative photometric flux accuracy of 14 of 43 E140M spectral orders to 5-10% at the edges. The blaze function shape changes have hindered attempts to determine the post-SM4 temporal blaze function shifts for this grating. Given the popularity of this unique FUV mode, with almost full simultaneous coverage of 1144 to 1710 A in a single observation, and consideration of the STIS archival legacy, we request 1 orbit to re-observe G191-B2B with the E140/1425 setting.

Spectral response of fiber-coupled Fabry-Perot etalons.

PubMed

Ionov, Pavel

2014-03-01

In many remote sensing applications one or multiple Fabry-Perot etalons are used as high-spectral-resolution filter elements. These etalons are often coupled to a receiving telescope with a multimode fiber, leading to subtle effects of the fiber mode order on the overall spectral response of the system. A theoretical model is developed to treat the spectral response of the combined system: fiber, collimator, and etalon. The method is based on a closed-form expression of the diffracted mode in terms of a Hankel transform. In this representation, it is shown how the spectral effect of the fiber and collimator can be separated from the details of the etalon and can be viewed as a mode-dependent spectral broadening and shift.

Comparison of sensitivity to artificial spectral errors and multivariate LOD in NIR spectroscopy - Determining the performance of miniaturizations on melamine in milk powder.

PubMed

Henn, Raphael; Kirchler, Christian G; Grossgut, Maria-Elisabeth; Huck, Christian W

2017-05-01

This study compared three commercially available spectrometers - whereas two of them were miniaturized - in terms of prediction ability of melamine in milk powder (infant formula). Therefore all spectra were split into calibration- and validation-set using Kennard Stone and Duplex algorithm in comparison. For each instrument the three best performing PLSR models were constructed using SNV and Savitzky Golay derivatives. The best RMSEP values were 0.28g/100g, 0.33g/100g and 0.27g/100g for the NIRFlex N-500, the microPHAZIR and the microNIR2200 respectively. Furthermore the multivariate LOD interval [LOD min , LOD max ] was calculated for all the PLSR models unveiling significant differences among the spectrometers showing values of 0.20g/100g - 0.27g/100g, 0.28g/100g - 0.54g/100g and 0.44g/100g - 1.01g/100g for the NIRFlex N-500, the microPHAZIR and the microNIR2200 respectively. To assess the robustness of all models, artificial introduction of white noise, baseline shift, multiplicative effect, spectral shrink and stretch, stray light and spectral shift were applied. Monitoring the RMSEP as function of the perturbation gave indication of robustness of the models and helped to compare the performances of the spectrometers. Not taking the additional information from the LOD calculations into account one could falsely assume that all the spectrometers perform equally well which is not the case when the multivariate evaluation and robustness data were considered. Copyright © 2017 Elsevier B.V. All rights reserved.

CONSTRAINING HIGH-SPEED WINDS IN EXOPLANET ATMOSPHERES THROUGH OBSERVATIONS OF ANOMALOUS DOPPLER SHIFTS DURING TRANSIT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller-Ricci Kempton, Eliza; Rauscher, Emily, E-mail: ekempton@ucolick.org

2012-06-01

Three-dimensional (3D) dynamical models of hot Jupiter atmospheres predict very strong wind speeds. For tidally locked hot Jupiters, winds at high altitude in the planet's atmosphere advect heat from the day side to the cooler night side of the planet. Net wind speeds on the order of 1-10 km s{sup -1} directed towards the night side of the planet are predicted at mbar pressures, which is the approximate pressure level probed by transmission spectroscopy. These winds should result in an observed blueshift of spectral lines in transmission on the order of the wind speed. Indeed, Snellen et al. recently observedmore » a 2 {+-} 1 km s{sup -1} blueshift of CO transmission features for HD 209458b, which has been interpreted as a detection of the day-to-night (substellar to anti-stellar) winds that have been predicted by 3D atmospheric dynamics modeling. Here, we present the results of a coupled 3D atmospheric dynamics and transmission spectrum model, which predicts the Doppler-shifted spectrum of a hot Jupiter during transit resulting from winds in the planet's atmosphere. We explore four different models for the hot Jupiter atmosphere using different prescriptions for atmospheric drag via interaction with planetary magnetic fields. We find that models with no magnetic drag produce net Doppler blueshifts in the transmission spectrum of {approx}2 km s{sup -1} and that lower Doppler shifts of {approx}1 km s{sup -1} are found for the higher drag cases, results consistent with-but not yet strongly constrained by-the Snellen et al. measurement. We additionally explore the possibility of recovering the average terminator wind speed as a function of altitude by measuring Doppler shifts of individual spectral lines and spatially resolving wind speeds across the leading and trailing terminators during ingress and egress.« less

Bounds for OPE coefficients on the Regge trajectory

NASA Astrophysics Data System (ADS)

Costa, Miguel S.; Hansen, Tobias; Penedones, João

2017-10-01

We consider the Regge limit of the CFT correlation functions < JJOO> and < TTOO>, where J is a vector current, T is the stress tensor and O is some scalar operator. These correlation functions are related by a type of Fourier transform to the AdS phase shift of the dual 2-to-2 scattering process. AdS unitarity was conjectured some time ago to be positivity of the imaginary part of this bulk phase shift. This condition was recently proved using purely CFT arguments. For large N CFTs we further expand on these ideas, by considering the phase shift in the Regge limit, which is dominated by the leading Regge pole with spin j( ν), where ν is a spectral parameter. We compute the phase shift as a function of the bulk impact parameter, and then use AdS unitarity to impose bounds on the analytically continued OPE coefficients {C}_JJ}j(ν )} and C TTj(ν) that describe the coupling to the leading Regge trajectory of the current J and stress tensor T. AdS unitarity implies that the OPE coefficients associated to non-minimal couplings of the bulk theory vanish at the intercept value ν = 0, for any CFT. Focusing on the case of large gap theories, this result can be used to show that the physical OPE coefficients {C}_{JJT and C TTT , associated to non-minimal bulk couplings, scale with the gap Δ g as Δ g - 2 or Δ g - 4 . Also, looking directly at the unitarity condition imposed at the OPE coefficients {C_JJT and C TTT results precisely in the known conformal collider bounds, giving a new CFT derivation of these bounds. We finish with remarks on finite N theories and show directly in the CFT that the spin function j( ν) is convex, extending this property to the continuation to complex spin.

Spectral tuning of optical coupling between air-mode nanobeam cavities and individual carbon nanotubes

NASA Astrophysics Data System (ADS)

Machiya, Hidenori; Uda, Takushi; Ishii, Akihiro; Kato, Yuichiro K.

Air-mode nanobeam cavities allow for high efficiency coupling to air-suspended carbon nanotubes due to their unique mode profile that has large electric fields in air. Here we utilize heating-induced energy shift of carbon nanotube emission to investigate the cavity quantum electrodynamics effects. In particular, we use laser-induced heating which causes a large blue-shift of the nanotube photoluminescence as the excitation power is increased. Combined with a slight red-shift of the cavity mode at high powers, detuning of nanotube emission from the cavity can be controlled. We estimate the spontaneous emission coupling factor β at different spectral overlaps and find an increase of β factor at small detunings, which is consistent with Purcell enhancement of nanotube emission. Work supported by JSPS (KAKENHI JP26610080, JP16K13613), Asahi Glass Foundation, Canon Foundation, and MEXT (Photon Frontier Network Program, Nanotechnology Platform).

All-optical on-chip sensor for high refractive index sensing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Yazhao; Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628 CJ, Delft; Salemink, H. W. M., E-mail: H.Salemink@science.ru.nl

2015-01-19

A highly sensitive sensor design based on two-dimensional photonic crystal cavity is demonstrated. The geometric structure of the cavity is modified to gain a high quality factor, which enables a sensitive refractive index sensing. A group of slots with optimized parameters is created in the cavity. The existence of the slots enhances the light-matter interactions between confined photons and analytes. The interactions result in large wavelength shifts in the transmission spectra and are denoted by high sensitivities. Experiments show that a change in refractive index of Δn ∼ 0.12 between water and oil sample 1 causes a spectral shift of 23.5 nm, andmore » the spectral shift between two oil samples is 5.1 nm for Δn ∼ 0.039. These results are in good agreement with simulations, which are 21.3 and 7.39 nm for the same index changes.« less

Spectral properties near the Mott transition in the two-dimensional t-J model with next-nearest-neighbor hopping

NASA Astrophysics Data System (ADS)

Kohno, Masanori

2018-05-01

The single-particle spectral properties of the two-dimensional t-J model with next-nearest-neighbor hopping are investigated near the Mott transition by using cluster perturbation theory. The spectral features are interpreted by considering the effects of the next-nearest-neighbor hopping on the shift of the spectral-weight distribution of the two-dimensional t-J model. Various anomalous features observed in hole-doped and electron-doped high-temperature cuprate superconductors are collectively explained in the two-dimensional t-J model with next-nearest-neighbor hopping near the Mott transition.

Calling louder and longer: how bats use biosonar under severe acoustic interference from other bats

PubMed Central

Amichai, Eran; Blumrosen, Gaddi; Yovel, Yossi

2015-01-01

Active-sensing systems such as echolocation provide animals with distinct advantages in dark environments. For social animals, however, like many bat species, active sensing can present problems as well: when many individuals emit bio-sonar calls simultaneously, detecting and recognizing the faint echoes generated by one's own calls amid the general cacophony of the group becomes challenging. This problem is often termed ‘jamming’ and bats have been hypothesized to solve it by shifting the spectral content of their calls to decrease the overlap with the jamming signals. We tested bats’ response in situations of extreme interference, mimicking a high density of bats. We played-back bat echolocation calls from multiple speakers, to jam flying Pipistrellus kuhlii bats, simulating a naturally occurring situation of many bats flying in proximity. We examined behavioural and echolocation parameters during search phase and target approach. Under severe interference, bats emitted calls of higher intensity and longer duration, and called more often. Slight spectral shifts were observed but they did not decrease the spectral overlap with jamming signals. We also found that pre-existing inter-individual spectral differences could allow self-call recognition. Results suggest that the bats’ response aimed to increase the signal-to-noise ratio and not to avoid spectral overlap. PMID:26702045

Calling louder and longer: how bats use biosonar under severe acoustic interference from other bats.

PubMed

Amichai, Eran; Blumrosen, Gaddi; Yovel, Yossi

2015-12-22

Active-sensing systems such as echolocation provide animals with distinct advantages in dark environments. For social animals, however, like many bat species, active sensing can present problems as well: when many individuals emit bio-sonar calls simultaneously, detecting and recognizing the faint echoes generated by one's own calls amid the general cacophony of the group becomes challenging. This problem is often termed 'jamming' and bats have been hypothesized to solve it by shifting the spectral content of their calls to decrease the overlap with the jamming signals. We tested bats' response in situations of extreme interference, mimicking a high density of bats. We played-back bat echolocation calls from multiple speakers, to jam flying Pipistrellus kuhlii bats, simulating a naturally occurring situation of many bats flying in proximity. We examined behavioural and echolocation parameters during search phase and target approach. Under severe interference, bats emitted calls of higher intensity and longer duration, and called more often. Slight spectral shifts were observed but they did not decrease the spectral overlap with jamming signals. We also found that pre-existing inter-individual spectral differences could allow self-call recognition. Results suggest that the bats' response aimed to increase the signal-to-noise ratio and not to avoid spectral overlap. © 2015 The Author(s).

A two dimensional power spectral estimate for some nonstationary processes. M.S. Thesis

NASA Technical Reports Server (NTRS)

Smith, Gregory L.

1989-01-01

A two dimensional estimate for the power spectral density of a nonstationary process is being developed. The estimate will be applied to helicopter noise data which is clearly nonstationary. The acoustic pressure from the isolated main rotor and isolated tail rotor is known to be periodically correlated (PC) and the combined noise from the main and tail rotors is assumed to be correlation autoregressive (CAR). The results of this nonstationary analysis will be compared with the current method of assuming that the data is stationary and analyzing it as such. Another method of analysis is to introduce a random phase shift into the data as shown by Papoulis to produce a time history which can then be accurately modeled as stationary. This method will also be investigated for the helicopter data. A method used to determine the period of a PC process when the period is not know is discussed. The period of a PC process must be known in order to produce an accurate spectral representation for the process. The spectral estimate is developed. The bias and variability of the estimate are also discussed. Finally, the current method for analyzing nonstationary data is compared to that of using a two dimensional spectral representation. In addition, the method of phase shifting the data is examined.

Development of a digital-micromirror-device-based multishot snapshot spectral imaging system.

PubMed

Wu, Yuehao; Mirza, Iftekhar O; Arce, Gonzalo R; Prather, Dennis W

2011-07-15

We report on the development of a digital-micromirror-device (DMD)-based multishot snapshot spectral imaging (DMD-SSI) system as an alternative to current piezostage-based multishot coded aperture snapshot spectral imager (CASSI) systems. In this system, a DMD is used to implement compressive sensing (CS) measurement patterns for reconstructing the spatial/spectral information of an imaging scene. Based on the CS measurement results, we demonstrated the concurrent reconstruction of 24 spectral images. The DMD-SSI system is versatile in nature as it can be used to implement independent CS measurement patterns in addition to spatially shifted patterns that piezostage-based systems can offer. © 2011 Optical Society of America

Heterodyne detection using spectral line pairing for spectral phase encoding optical code division multiple access and dynamic dispersion compensation.

PubMed

Yang, Yi; Foster, Mark; Khurgin, Jacob B; Cooper, A Brinton

2012-07-30

A novel coherent optical code-division multiple access (OCDMA) scheme is proposed that uses spectral line pairing to generate signals suitable for heterodyne decoding. Both signal and local reference are transmitted via a single optical fiber and a simple balanced receiver performs sourceless heterodyne detection, canceling speckle noise and multiple-access interference (MAI). To validate the idea, a 16 user fully loaded phase encoded system is simulated. Effects of fiber dispersion on system performance are studied as well. Both second and third order dispersion management is achieved by using a spectral phase encoder to adjust phase shifts of spectral components at the optical network unit (ONU).

Mars analog minerals' spectral reflectance characteristics under Martian surface conditions

NASA Astrophysics Data System (ADS)

Poitras, J. T.; Cloutis, E. A.; Salvatore, M. R.; Mertzman, S. A.; Applin, D. M.; Mann, P.

2018-05-01

We investigated the spectral reflectance properties of minerals under a simulated Martian environment. Twenty-eight different hydrated or hydroxylated phases of carbonates, sulfates, and silica minerals were selected based on past detection on Mars through spectral remote sensing data. Samples were ground and dry sieved to <45 μm grain size and characterized by XRD before and after 133 days inside a simulated Martian surface environment (pressure 5 Torr and CO2 fed). Reflectance spectra from 0.35 to 4 μm were taken periodically through a sapphire (0.35-2.5 μm) and zinc selenide (2.5-4 μm) window over a 133-day period. Mineral stability on the Martian surface was assessed through changes in spectral characteristics. Results indicate that the hydrated carbonates studied would be stable on the surface of Mars, only losing adsorbed H2O while maintaining their diagnostic spectral features. Sulfates were less stable, often with shifts in the band position of the SO, Fe, and OH absorption features. Silicas displayed spectral shifts related to SiOH and hydration state of the mineral surface, while diagnostic bands for quartz were stable. Previous detection of carbonate minerals based on 2.3-2.5 μm and 3.4-3.9 μm features appears to be consistent with our results. Sulfate mineral detection is more questionable since there can be shifts in band position related to SO4. The loss of the 0.43 μm Fe3+ band in many of the sulfates indicate that there are fewer potential candidates for Fe3+ sulfates to permanently exist on the Martian surface based on this band. The gypsum sample changed phase to basanite during desiccation as demonstrated by both reflectance and XRD. Silica on Mars has been detected using band depth ratio at 1.91 and 1.96 μm and band minimum position of the 1.4 μm feature, and the properties are also used to determine their age. This technique continues to be useful for positive silica identifications, however, silica age appears to be less consistent with our laboratory data. These results will be useful in spectral libraries for characterizing Martian remote sensed data.

Spectral gap optimization of order parameters for sampling complex molecular systems

PubMed Central

Tiwary, Pratyush; Berne, B. J.

2016-01-01

In modern-day simulations of many-body systems, much of the computational complexity is shifted to the identification of slowly changing molecular order parameters called collective variables (CVs) or reaction coordinates. A vast array of enhanced-sampling methods are based on the identification and biasing of these low-dimensional order parameters, whose fluctuations are important in driving rare events of interest. Here, we describe a new algorithm for finding optimal low-dimensional CVs for use in enhanced-sampling biasing methods like umbrella sampling, metadynamics, and related methods, when limited prior static and dynamic information is known about the system, and a much larger set of candidate CVs is specified. The algorithm involves estimating the best combination of these candidate CVs, as quantified by a maximum path entropy estimate of the spectral gap for dynamics viewed as a function of that CV. The algorithm is called spectral gap optimization of order parameters (SGOOP). Through multiple practical examples, we show how this postprocessing procedure can lead to optimization of CV and several orders of magnitude improvement in the convergence of the free energy calculated through metadynamics, essentially giving the ability to extract useful information even from unsuccessful metadynamics runs. PMID:26929365

Development of the sound localization cues in cats

NASA Astrophysics Data System (ADS)

Tollin, Daniel J.

2004-05-01

Cats are a common model for developmental studies of the psychophysical and physiological mechanisms of sound localization. Yet, there are few studies on the development of the acoustical cues to location in cats. The magnitude of the three main cues, interaural differences in time (ITDs) and level (ILDs), and monaural spectral shape cues, vary with location in adults. However, the increasing interaural distance associated with a growing head and pinnae during development will result in cues that change continuously until maturation is complete. Here, we report measurements, in cats aged 1 week to adulthood, of the physical dimensions of the head and pinnae and the localization cues, computed from measurements of directional transfer functions. At 1 week, ILD depended little on azimuth for frequencies <6-7 kHz, maximum ITD was 175 μs, and for sources varying in elevation, a prominent spectral notch was located at higher frequencies than in the older cats. As cats develop, the spectral cues and the frequencies at which ILDs become substantial (>10 dB) shift to lower frequencies, and the maximum ITD increases to nearly 370 μs. Changes in the cues are correlated with the increasing size of the head and pinnae. [Work supported by NIDCD DC05122.

Benzimidazole acrylonitriles as multifunctional push-pull chromophores: Spectral characterisation, protonation equilibria and nanoaggregation in aqueous solutions

NASA Astrophysics Data System (ADS)

Horak, Ema; Vianello, Robert; Hranjec, Marijana; Krištafor, Svjetlana; Zamola, Grace Karminski; Steinberg, Ivana Murković

2017-05-01

Heterocyclic donor-π-acceptor molecular systems based on an N,N-dimethylamino phenylacrylonitrile benzimidazole skeleton have been characterised and are proposed for potential use in sensing applications. The benzimidazole moiety introduces a broad spectrum of useful multifunctional properties to the system including electron accepting ability, pH sensitivity and compatibility with biomolecules. The photophysical characterisation of the prototropic forms of these chromophores has been carried out in both solution and on immobilisation in polymer films. The experimental results are further supported by computational determination of pKa values. It is noticed that compound 3 forms nanoaggregates in aqueous solutions with aggregation-induced emission (AIE) at 600 nm. All the systems demonstrate spectral pH sensitivity in acidic media which shifts towards near-neutral values upon immobilisation in polymer films or upon aggregation in an aqueous environment (compound 3). The structure-property relationships of these functional chromophores, involving their spectral characteristics, acid-base equilibria, pKa values and aggregation effects have been determined. Potential applications of the molecules as pH and biomolecular sensors are proposed based on their pH sensitivity and AIE properties.

Spectral and quantum-mechanical characterizations of 7-amino-4-trifluoromethyl coumarin

NASA Astrophysics Data System (ADS)

Benchea, Andreea Celia; Gaina, Marius; Dorohoi, Dana Ortansa

2017-01-01

Coumarins are crystalline compounds utilized in pharmaceutical, food and cosmetic industries. Our study refers to quantum-mechanical and spectral characterization of 7-amino-4-trifluoromethyl coumarin (7-NH2-4-CF3-coumarin or coumarin 151) in order to estimate its stability, reactivity and biological activity. The contribution of different types of interactions to the spectral shifts in homogeneous solutions and the limits in which the excited state dipole moment of the studied molecule can vary are established by solvatochromic study.

Spectral characterization of the LANDSAT Thematic Mapper sensors

NASA Technical Reports Server (NTRS)

Markham, B. L.; Barker, J. L.

1984-01-01

The spectral coverage characteristics of the two thematic mapper instruments were determined by analyses of spectral measurements of the optics, filters, and detectors. The following results are presented: (1) band 2 and 3 flatness was slightly below specification, and band 7 flatness was below specification; (2) band 5 upper-band edge was higher than specifications; (3) band 2 band edges were shifted upward about 9 nm relative to nominal; and (4) band 4, 5, and 7 lower band edges were 16 to 18 nm higher then nominal.

Multispectral multisensor image fusion using wavelet transforms

USGS Publications Warehouse

Lemeshewsky, George P.

1999-01-01

Fusion techniques can be applied to multispectral and higher spatial resolution panchromatic images to create a composite image that is easier to interpret than the individual images. Wavelet transform-based multisensor, multiresolution fusion (a type of band sharpening) was applied to Landsat thematic mapper (TM) multispectral and coregistered higher resolution SPOT panchromatic images. The objective was to obtain increased spatial resolution, false color composite products to support the interpretation of land cover types wherein the spectral characteristics of the imagery are preserved to provide the spectral clues needed for interpretation. Since the fusion process should not introduce artifacts, a shift invariant implementation of the discrete wavelet transform (SIDWT) was used. These results were compared with those using the shift variant, discrete wavelet transform (DWT). Overall, the process includes a hue, saturation, and value color space transform to minimize color changes, and a reported point-wise maximum selection rule to combine transform coefficients. The performance of fusion based on the SIDWT and DWT was evaluated with a simulated TM 30-m spatial resolution test image and a higher resolution reference. Simulated imagery was made by blurring higher resolution color-infrared photography with the TM sensors' point spread function. The SIDWT based technique produced imagery with fewer artifacts and lower error between fused images and the full resolution reference. Image examples with TM and SPOT 10-m panchromatic illustrate the reduction in artifacts due to the SIDWT based fusion.

Adapting photosynthesis to the near-infrared: non-covalent binding of phycocyanobilin provides an extreme spectral red-shift to phycobilisome core-membrane linker from Synechococcus sp. PCC7335.

PubMed

Miao, Dan; Ding, Wen-Long; Zhao, Bao-Qing; Lu, Lu; Xu, Qian-Zhao; Scheer, Hugo; Zhao, Kai-Hong

2016-06-01

Phycobiliproteins that bind bilins are organized as light-harvesting complexes, phycobilisomes, in cyanobacteria and red algae. The harvested light energy is funneled to reaction centers via two energy traps, allophycocyanin B and the core-membrane linker, ApcE1 (conventional ApcE). The covalently bound phycocyanobilin (PCB) of ApcE1 absorbs near 660 nm and fluoresces near 675 nm. In cyanobacteria capable of near infrared photoacclimation, such as Synechococcus sp. PCC7335, there exist even further spectrally red shifted components absorbing >700 nm and fluorescing >710 nm. We expressed the chromophore domain of the extra core-membrane linker from Synechococcus sp. PCC7335, ApcE2, in E. coli together with enzymes generating the chromophore, PCB. The resulting chromoproteins, PCB-ApcE2(1-273) and the more truncated PCB-ApcE2(24-245), absorb at 700 nm and fluoresce at 714 nm. The red shift of ~40 nm compared with canonical ApcE1 results from non-covalent binding of the chromophore by which its full conjugation length including the Δ3,3(1) double bond is preserved. The extreme spectral red-shift could not be ascribed to exciton coupling: dimeric PCB-ApcE2(1-273) and monomeric-ApcE2(24-245) absorbed and fluoresced similarly. Chromophorylation of ApcE2 with phycoerythrobilin- or phytochromobilin resulted in similar red shifts (absorption at 615 and 711 nm, fluorescence at 628 or 726 nm, respectively), compared to the covalently bound chromophores. The self-assembled non-covalent chromophorylation demonstrates a novel access to red and near-infrared emitting fluorophores. Brightly fluorescent biomarking was exemplified in E. coli by single-plasmid transformation. Copyright © 2016 Elsevier B.V. All rights reserved.

Interferometric visualization and demodulation method for measuring quasi-static strain in fiber Bragg grating sensors by a simple rotating etalon filter

NASA Astrophysics Data System (ADS)

Rocco, Alessandra S.; Coppola, Giuseppe; Ferraro, Pietro; Foti, Giuseppe; Iodice, Mario

2004-09-01

Optical fiber sensors are the ideal system to monitor "smart structures" and on-site/real time stress measurements: they can be in fact easily embedded or attached to the structures under test and are not affected by electro- magnetic noise. In particular a signal from a Fiber Bragg grating sensor (FBG) may be processed such that its information remains immune to optical power fluctuations. Different interrogation methods can be used for reading out Bragg wavelength shifts. In this paper we propose a very simple interferometric method for interrogating FBG sensors, based on bi-polished silicon sample acting like an etalon tuneable filter (ETF). The Bragg wavelength shift can be evaluated by analyzing the spectral response of signal reflected by the FBG sensor and filtered by the ETF that is continuously and rapidly tuned. Tuning was obtained by rotating the ETF. Variation in the strain at the FBG causes a phase shift in the analyzed signal. The overall spectral signal, collected with time, consists in an interferometric figure which finesse and fringe contrast depending on the geometrical sizes and facets reflectivity of the silicon sample. The fringe pattern, expressed by the Airy's formula, depends on the wavelength l of the incident radiation and on the angle of incidence. The phase of fringe pattern can be retrieved by a standard FFT method giving quantitative measurements of the quasi-static strain variation sensed by the FBG. In this way, the method allows a valuable visualization of the time-evolution of the incremental strain applied to the FBG. Principle of functioning of this method is described and first results obtained employing such configuration, are reported.

Power-law tails and non-Markovian dynamics in open quantum systems: An exact solution from Keldysh field theory

NASA Astrophysics Data System (ADS)

Chakraborty, Ahana; Sensarma, Rajdeep

2018-03-01

The Born-Markov approximation is widely used to study the dynamics of open quantum systems coupled to external baths. Using Keldysh formalism, we show that the dynamics of a system of bosons (fermions) linearly coupled to a noninteracting bosonic (fermionic) bath falls outside this paradigm if the bath spectral function has nonanalyticities as a function of frequency. In this case, we show that the dissipative and noise kernels governing the dynamics have distinct power-law tails. The Green's functions show a short-time "quasi"-Markovian exponential decay before crossing over to a power-law tail governed by the nonanalyticity of the spectral function. We study a system of bosons (fermions) hopping on a one-dimensional lattice, where each site is coupled linearly to an independent bath of noninteracting bosons (fermions). We obtain exact expressions for the Green's functions of this system, which show power-law decay ˜|t - t'|-3 /2 . We use these to calculate the density and current profile, as well as unequal-time current-current correlators. While the density and current profiles show interesting quantitative deviations from Markovian results, the current-current correlators show qualitatively distinct long-time power-law tails |t - t'|-3 characteristic of non-Markovian dynamics. We show that the power-law decays survive in the presence of interparticle interaction in the system, but the crossover time scale is shifted to larger values with increasing interaction strength.

In-flight spectral performance monitoring of the Airborne Prism Experiment.

PubMed

D'Odorico, Petra; Alberti, Edoardo; Schaepman, Michael E

2010-06-01

Spectral performance of an airborne dispersive pushbroom imaging spectrometer cannot be assumed to be stable over a whole flight season given the environmental stresses present during flight. Spectral performance monitoring during flight is commonly accomplished by looking at selected absorption features present in the Sun, atmosphere, or ground, and their stability. The assessment of instrument performance in two different environments, e.g., laboratory and airborne, using precisely the same calibration reference, has not been possible so far. The Airborne Prism Experiment (APEX), an airborne dispersive pushbroom imaging spectrometer, uses an onboard in-flight characterization (IFC) facility, which makes it possible to monitor the sensor's performance in terms of spectral, radiometric, and geometric stability in flight and in the laboratory. We discuss in detail a new method for the monitoring of spectral instrument performance. The method relies on the monitoring of spectral shifts by comparing instrument-induced movements of absorption features on ground and in flight. Absorption lines originate from spectral filters, which intercept the full field of view (FOV) illuminated using an internal light source. A feature-fitting algorithm is used for the shift estimation based on Pearson's correlation coefficient. Environmental parameter monitoring, coregistered on board with the image and calibration data, revealed that differential pressure and temperature in the baffle compartment are the main driving parameters explaining the trend in spectral performance deviations in the time and the space (across-track) domains, respectively. The results presented in this paper show that the system in its current setup needs further improvements to reach a stable performance. Findings provided useful guidelines for the instrument revision currently under way. The main aim of the revision is the stabilization of the instrument for a range of temperature and pressure conditions to be encountered during operation.

Thermal control design of the Lightning Mapper Sensor narrow-band spectral filter

NASA Technical Reports Server (NTRS)

Flannery, Martin R.; Potter, John; Raab, Jeff R.; Manlief, Scott K.

1992-01-01

The performance of the Lightning Mapper Sensor is dependent on the temperature shifts of its narrowband spectral filter. To perform over a 10 degree FOV with an 0.8 nm bandwidth, the filter must be 15 cm in diameter and mounted externally to the telescope optics. The filter thermal control required a filter design optimized for minimum bandpass shift with temperature, a thermal analysis of substrate materials for maximum temperature uniformity, and a thermal radiation analysis to determine the parameter sensitivity of the radiation shield for the filter, the filter thermal recovery time after occultation, and heater power to maintain filter performance in the earth-staring geosynchronous environment.

Time- and spectrally resolved characteristics of flavin fluorescence in U87MG cancer cells in culture

NASA Astrophysics Data System (ADS)

Horilova, Julia; Cunderlikova, Beata; Marcek Chorvatova, Alzbeta

2015-05-01

Early detection of cancer is crucial for the successful diagnostics of its presence and its subsequent treatment. To improve cancer detection, we tested the progressive multimodal optical imaging of U87MG cells in culture. A combination of steady-state spectroscopic methods with the time-resolved approach provides a new insight into the native metabolism when focused on endogenous tissue fluorescence. In this contribution, we evaluated the metabolic state of living U87MG cancer cells in culture by means of endogenous flavin fluorescence. Confocal microscopy and time-resolved fluorescence imaging were employed to gather spectrally and time-resolved images of the flavin fluorescence. We observed that flavin fluorescence in U87MG cells was predominantly localized outside the cell nucleus in mitochondria, while exhibiting a spectral maximum under 500 nm and fluorescence lifetimes under 1.4 ns, suggesting the presence of bound flavins. In some cells, flavin fluorescence was also detected inside the cell nuclei in the nucleoli, exhibiting longer fluorescence lifetimes and a red-shifted spectral maximum, pointing to the presence of free flavin. Extra-nuclear flavin fluorescence was diminished by 2-deoxyglucose, but failed to increase with 2,4-dinitrophenol, the uncoupler of oxidative phosphorylation, indicating that the cells use glycolysis, rather than oxidative phosphorylation for functioning. These gathered data are the first step toward monitoring the metabolic state of U87MG cancer cells.

Twomey effect observed from collocated microphysical and remote sensing measurements over shallow cumulus

NASA Astrophysics Data System (ADS)

Werner, F.; Ditas, F.; Siebert, H.; Simmel, M.; Wehner, B.; Pilewskie, P.; Schmeissner, T.; Shaw, R. A.; Hartmann, S.; Wex, H.; Roberts, G. C.; Wendisch, M.

2014-02-01

Clear experimental evidence of the Twomey effect for shallow trade wind cumuli near Barbados is presented. Effective droplet radius (reff) and cloud optical thickness (τ), retrieved from helicopter-borne spectral cloud-reflected radiance measurements, and spectral cloud reflectivity (γλ) are correlated with collocated in situ observations of the number concentration of aerosol particles from the subcloud layer (N). N denotes the concentration of particles larger than 80 nm in diameter and represents particles in the activation mode. In situ cloud microphysical and aerosol parameters were sampled by the Airborne Cloud Turbulence Observation System (ACTOS). Spectral cloud-reflected radiance data were collected by the Spectral Modular Airborne Radiation measurement sysTem (SMART-HELIOS). With increasing N a shift in the probability density functions of τ and γλ toward larger values is observed, while the mean values and observed ranges of retrieved reff decrease. The relative susceptibilities (RS) of reff, τ, and γλ to N are derived for bins of constant liquid water path. The resulting values of RS are in the range of 0.35 for reff and τ, and 0.27 for γλ. These results are close to the maximum susceptibility possible from theory. Overall, the shallow cumuli sampled near Barbados show characteristics of homogeneous, plane-parallel clouds. Comparisons of RS derived from in situ measured reff and from a microphysical parcel model are in close agreement.

Imaging of Biological Cells Using Luminescent Silver Nanoparticles

NASA Astrophysics Data System (ADS)

Kravets, Vira; Almemar, Zamavang; Jiang, Ke; Culhane, Kyle; Machado, Rosa; Hagen, Guy; Kotko, Andriy; Dmytruk, Igor; Spendier, Kathrin; Pinchuk, Anatoliy

2016-01-01

The application of luminescent silver nanoparticles as imaging agents for neural stem and rat basophilic leukemia cells was demonstrated. The experimental size dependence of the extinction and emission spectra for silver nanoparticles were also studied. The nanoparticles were functionalized with fluorescent glycine dimers. Spectral position of the resonance extinction and photoluminescence emission for particles with average diameters ranging from 9 to 32 nm were examined. As the particle size increased, the spectral peaks for both extinction and the intrinsic emission of silver nanoparticles shifted to the red end of the spectrum. The intrinsic photoluminescence of the particles was orders of magnitude weaker and was spectrally separated from the photoluminescence of the glycine dimer ligands. The spectral position of the ligand emission was independent of the particle size; however, the quantum yield of the nanoparticle-ligand system was size-dependent. This was attributed to the enhancement of the ligand's emission caused by the local electric field strength's dependence on the particle size. The maximum quantum yield determined for the nanoparticle-ligand complex was (5.2 ± 0.1) %. The nanoparticles were able to penetrate cell membranes of rat basophilic leukemia and neural stem cells fixed with paraformaldehyde. Additionally, toxicity studies were performed. It was found that towards rat basophilic leukemia cells, luminescent silver nanoparticles had a toxic effect in the silver atom concentration range of 10-100 μM.

Health State Monitoring of Bladed Machinery with Crack Growth Detection in BFG Power Plant Using an Active Frequency Shift Spectral Correction Method

PubMed Central

Sun, Weifang; Yao, Bin; He, Yuchao; Zeng, Nianyin; He, Wangpeng

2017-01-01

Power generation using waste-gas is an effective and green way to reduce the emission of the harmful blast furnace gas (BFG) in pig-iron producing industry. Condition monitoring of mechanical structures in the BFG power plant is of vital importance to guarantee their safety and efficient operations. In this paper, we describe the detection of crack growth of bladed machinery in the BFG power plant via vibration measurement combined with an enhanced spectral correction technique. This technique enables high-precision identification of amplitude, frequency, and phase information (the harmonic information) belonging to deterministic harmonic components within the vibration signals. Rather than deriving all harmonic information using neighboring spectral bins in the fast Fourier transform spectrum, this proposed active frequency shift spectral correction method makes use of some interpolated Fourier spectral bins and has a better noise-resisting capacity. We demonstrate that the identified harmonic information via the proposed method is of suppressed numerical error when the same level of noises is presented in the vibration signal, even in comparison with a Hanning-window-based correction method. With the proposed method, we investigated vibration signals collected from a centrifugal compressor. Spectral information of harmonic tones, related to the fundamental working frequency of the centrifugal compressor, is corrected. The extracted spectral information indicates the ongoing development of an impeller blade crack that occurred in the centrifugal compressor. This method proves to be a promising alternative to identify blade cracks at early stages. PMID:28792453

Slitless Solar Spectroscopy

NASA Technical Reports Server (NTRS)

Davila, Joseph M.; Jones, Sahela

2011-01-01

Spectrographs have traditionally suffered from the inability to obtain line intensities, widths, and Doppler shifts over large spatial regions of the Sun quickly because of the narrow instantaneous field of view. This has limited the spectroscopic analysis of rapidly varying solar features like, flares, CME eruptions, coronal jets, and reconnection regions. Imagers have provided high time resolution images of the full Sun with limited spectral resolution. In this paper we present recent advances in deconvolving spectrally dispersed images obtained through broad slits. We use this new theoretical formulation to examine the effectiveness of various potential observing scenarios, spatial and spectral resolutions, signal to noise ratio, and other instrument characteristics. This information will lay the foundation for a new generation of spectral imagers optimized for slitless spectral operation, while retaining the ability to obtain spectral information in transient solar events.

Raman spectroscopic characterization of gas mixtures. II. Quantitative composition and pressure determination of the CO2-CH4 system

USGS Publications Warehouse

Seitz, J.C.; Pasteris, J.D.; Chou, I.-Ming

1996-01-01

Raman spectral parameters were determined for the v1 band of CH4 and the v1 and 2v2 bands (Fermi diad) of CO2 in pure CO2 and CO2-CH4 mixtures at pressures up to 700 bars and room temperature. Peak position, area, height, and width were investigated as functions of pressure and composition. The peak positions of the CH4 and CO2 bands shift to lower relative wavenumbers as fluid pressure is increased. The peak position of the lower-wavenumber member of the Fermi diad for CO2 is sensitive to fluid composition, whereas the peak positions of the CH4 band and the upper Fermi diad member for CO2 are relatively insensitive in the CO2-CH4 system. The magnitude of the shifts in each of the three peak positions (as a function of pressure) is sufficient to be useful as a monitor of fluid pressure. The relative molar proportions in a CO2-CH4 mixture may be determined from the peak areas: the ratio of the peak areas of the CH4 band and the CO2 upper Fermi diad member is very sensitive to composition, whereas above about 100 bars, it is insensitive to pressure. Likewise, the peak height ratio is very sensitive to composition but also to fluid pressure. The individual peak widths of CO2 and CH4, as well as the ratios of the widths of the CH4 peak to the CO2 peaks are a sensitive function of pressure and, to a lesser extent, composition. Thus, upon determination of fluid composition, the peak width ratios may be used as a monitor of fluid pressure. The application of these spectral parameters to a suite of natural CO2-CH4 inclusions has yielded internally-consistent, quantitative determinations of the fluid composition and density.

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.

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.

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.

[The changes in spectral features of the staple-food bamboos of giant panda after flowering].

PubMed

Liu, Xue-Hua; Wu, Yan

2012-12-01

Large-area flowering of the giant pandas' staple food is an important factor which can influence their survival. Therefore, it is necessary to predict the bamboo flowering. Foping Nature Reserve was taken as the study area. The research selected the giant pandas' staple-food bamboos Bashania fargesii, Fargesia qinlingensis and Fargesia dracocephala with different flowering situations (i. e., flowering, potential flowering, non-flowering with far distance) to measure the spectral reflectance of bamboo leaves. We studied the influence of bamboo flowering on the spectral features of three bamboo species through analyzing the original spectral reflectance and their red edge parameters. The results showed that (1) the flowering changed the spectra features of bamboo species. The spectral reflectance of B. fargesii shows a pattern: flowering bamboo < potential flowering bamboo < non-flowering bamboo with far distance, while F. qinlingensis and F. dracocephala show the different pattern: flowering bamboo > or = potential flowering bamboo > non-flowering bamboo with far distance. Among three bamboo species, F. dracocephala showed the greatest change, and then F. qinlingensis. (2) After bamboo flowering, the red edge of B. fargesii has no obvious shifting, while the other two bamboos have distinctive shifting towards the shorter waves. The study found that the original spectral feature and the red edge all changed under various flowering states, which can be used to provide the experimental basis and theoretic support for the future prediction of bamboo flowering through remote sensing.

Angle-selective all-dielectric Huygens’ metasurfaces

NASA Astrophysics Data System (ADS)

Arslan, D.; Chong, K. E.; Miroshnichenko, A. E.; Choi, D.-Y.; Neshev, D. N.; Pertsch, T.; Kivshar, Y. S.; Staude, I.

2017-11-01

We experimentally and numerically study the angularly resolved transmission properties of dielectric metasurfaces consisting of silicon nanodisks which support electric and magnetic dipolar Mie-type resonances in the near-infrared spectral range. First, we concentrate on Huygens’ metasurfaces which are characterised by a spectral overlap of the fundamental electric and magnetic dipole resonances of the silicon nanodisks at normal incidence. Huygens’ metasurfaces exhibit a high transmitted intensity over the spectral width of the resonances due to impedance matching, while the transmitted phase shows a variation of 2π as the wavelength is swept across the width of the resonances. We observe that the transmittance of the Huygens’ metasurfaces depends on the incidence angle and is sensitive to polarisation for non-normal incidence. As the incidence angle is increased starting from normal incidence, the two dipole resonances are shifted out of the spectral overlap and the resonant features appear as pronounced transmittance minima. Next, we consider a metasurface with an increased nanodisk radius as compared to the Huygens’ metasurface, which supports spectrally separate electric and magnetic dipole resonances at normal incidence. We show that for TM polarisation, we can shift the resonances of this metasurface into spectral overlap and regain the high resonant transmittance characteristic of Huygens’ metasurfaces at a particular incidence angle. Furthermore, both metasurfaces are demonstrated to reject all TM polarised light incident under angles other than the design overlap angle at their respective operation frequency. Our experimental observations are in good qualitative agreement with numerical calculations.

Differentiation of cancerous and normal brain tissue using label free fluorescence and Stokes shift spectroscopy

NASA Astrophysics Data System (ADS)

Zhou, Yan; Wang, Leana; Liu, Cheng-hui; He, Yong; Yu, Xinguang; Cheng, Gangge; Wang, Peng; Shu, Cheng; Alfano, Robert R.

2016-03-01

In this report, optical biopsy was applied to diagnose human brain cancer in vitro for the identification of brain cancer from normal tissues by native fluorescence and Stokes shift spectra (SSS). 77 brain specimens including three types of human brain tissues (normal, glioma and brain metastasis of lung cancers) were studied. In order to observe spectral changes of fluorophores via fluorescence, the selected excitation wavelength of UV at 300 and 340 nm for emission spectra and a different Stokes Shift spectra with intervals Δλ = 40 nm were measured. The fluorescence spectra and SSS from multiple key native molecular markers, such as tryptophan, collagen, NADH, alanine, ceroid and lipofuscin were observed in normal and diseased brain tissues. Two diagnostic criteria were established based on the ratios of the peak intensities and peak position in both fluorescence and SSS spectra. It was observed that the ratio of the spectral peak intensity of tryptophan (340 nm) to NADH (440 nm) increased in glioma, meningioma (benign), malignant meninges tumor, and brain metastasis of lung cancer tissues in comparison with normal tissues. The ratio of the SS spectral peak (Δλ = 40 nm) intensities from 292 nm to 366 nm had risen similarly in all grades of tumors.

Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins.

PubMed

Luk, Hoi Ling; Bhattacharyya, Nihar; Montisci, Fabio; Morrow, James M; Melaccio, Federico; Wada, Akimori; Sheves, Mudi; Fanelli, Francesca; Chang, Belinda S W; Olivucci, Massimo

2016-12-09

Lake Baikal is the deepest and one of the most ancient lakes in the world. Its unique ecology has resulted in the colonization of a diversity of depth habitats by a unique fauna that includes a group of teleost fish of the sub-order Cottoidei. This relatively recent radiation of cottoid fishes shows a gradual blue-shift in the wavelength of the absorption maximum of their visual pigments with increasing habitat depth. Here we combine homology modeling and quantum chemical calculations with experimental in vitro measurements of rhodopsins to investigate dim-light adaptation. The calculations, which were able to reproduce the trend of observed absorption maxima in both A1 and A2 rhodopsins, reveal a Barlow-type relationship between the absorption maxima and the thermal isomerization rate suggesting a link between the observed blue-shift and a thermal noise decrease. A Nakanishi point-charge analysis of the electrostatic effects of non-conserved and conserved amino acid residues surrounding the rhodopsin chromophore identified both close and distant sites affecting simultaneously spectral tuning and visual sensitivity. We propose that natural variation at these sites modulate both the thermal noise and spectral shifting in Baikal cottoid visual pigments resulting in adaptations that enable vision in deep water light environments.

Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins

NASA Astrophysics Data System (ADS)

Luk, Hoi Ling; Bhattacharyya, Nihar; Montisci, Fabio; Morrow, James M.; Melaccio, Federico; Wada, Akimori; Sheves, Mudi; Fanelli, Francesca; Chang, Belinda S. W.; Olivucci, Massimo

2016-12-01

Lake Baikal is the deepest and one of the most ancient lakes in the world. Its unique ecology has resulted in the colonization of a diversity of depth habitats by a unique fauna that includes a group of teleost fish of the sub-order Cottoidei. This relatively recent radiation of cottoid fishes shows a gradual blue-shift in the wavelength of the absorption maximum of their visual pigments with increasing habitat depth. Here we combine homology modeling and quantum chemical calculations with experimental in vitro measurements of rhodopsins to investigate dim-light adaptation. The calculations, which were able to reproduce the trend of observed absorption maxima in both A1 and A2 rhodopsins, reveal a Barlow-type relationship between the absorption maxima and the thermal isomerization rate suggesting a link between the observed blue-shift and a thermal noise decrease. A Nakanishi point-charge analysis of the electrostatic effects of non-conserved and conserved amino acid residues surrounding the rhodopsin chromophore identified both close and distant sites affecting simultaneously spectral tuning and visual sensitivity. We propose that natural variation at these sites modulate both the thermal noise and spectral shifting in Baikal cottoid visual pigments resulting in adaptations that enable vision in deep water light environments.

Precision spectral manipulation of optical pulses using a coherent photon echo memory.

PubMed

Buchler, B C; Hosseini, M; Hétet, G; Sparkes, B M; Lam, P K

2010-04-01

Photon echo schemes are excellent candidates for high efficiency coherent optical memory. They are capable of high-bandwidth multipulse storage, pulse resequencing and have been shown theoretically to be compatible with quantum information applications. One particular photon echo scheme is the gradient echo memory (GEM). In this system, an atomic frequency gradient is induced in the direction of light propagation leading to a Fourier decomposition of the optical spectrum along the length of the storage medium. This Fourier encoding allows precision spectral manipulation of the stored light. In this Letter, we show frequency shifting, spectral compression, spectral splitting, and fine dispersion control of optical pulses using GEM.

Functional Spectral Domain Optical Coherence Tomography imaging

NASA Astrophysics Data System (ADS)

Bower, Bradley A.

Spectral Domain Optical Coherence Tomography (SDOCT) is a high-speed, high resolution imaging modality capable of structural and functional characterization of tissue microstructure. SDOCT fills a niche between histology and ultrasound imaging, providing non-contact, non-invasive backscattering amplitude and phase from a sample. Due to the translucent nature of the tissue, ophthalmic imaging is an ideal space for SDOCT imaging. Structural imaging of the retina has provided new insights into ophthalmic disease. The phase component of SDOCT images remains largely underexplored, though. While Doppler SDOCT has been explored in a research setting, it has yet to gain traction in the clinic. Other, functional exploitations of the phase are possible and necessary to expand the utility of SDOCT. Spectral Domain Phase Microscopy (SDPM) is an extension of SDOCT that is capable of resolving sub-wavelength displacements within a focal volume. Application of sub-wavelength displacement measurement imaging could provide a new method for non-invasive optophysiological measurement. This body of work encompasses both hardware and software design and development for implementation of SDOCT. Structural imaging was proven in both the lab and the clinic. Coarse phase changes associated with Doppler flow frequency shifts were recorded and a study was conducted to validate Doppler measurement. Fine phase changes were explored through SDPM applications. Preliminary optophysiology data was acquired to study the potential of sub-wavelength measurements in the retina. To remove the complexity associated with in-vivo human retinal imaging, a first principles approach using isolated nerve samples was applied using standard SDPM and a depthencoded technique for measuring conduction velocity. Results from amplitude as well as both coarse and fine phase processing are presented. In-vivo optophysiology using SDPM is a promising avenue for exploration, and projects furthering or extending this body of work are discussed.

Convective blueshifts in the solar atmosphere. I. Absolute measurements with LARS of the spectral lines at 6302 Å

NASA Astrophysics Data System (ADS)

Löhner-Böttcher, J.; Schmidt, W.; Stief, F.; Steinmetz, T.; Holzwarth, R.

2018-03-01

Context. The solar convection manifests as granulation and intergranulation at the solar surface. In the photosphere, convective motions induce differential Doppler shifts to spectral lines. The observed convective blueshift varies across the solar disk. Aim. We focus on the impact of solar convection on the atmosphere and aim to resolve its velocity stratification in the photosphere. Methods: We performed high-resolution spectroscopic observations of the solar spectrum in the 6302 Å range with the Laser Absolute Reference Spectrograph at the Vacuum Tower Telescope. A laser frequency comb enabled the calibration of the spectra to an absolute wavelength scale with an accuracy of 1 m s-1. We systematically scanned the quiet Sun from the disk center to the limb at ten selected heliocentric positions. The analysis included 99 time sequences of up to 20 min in length. By means of ephemeris and reference corrections, we translated wavelength shifts into absolute line-of-sight velocities. A bisector analysis on the line profiles yielded the shapes and convective shifts of seven photospheric lines. Results: At the disk center, the bisector profiles of the iron lines feature a pronounced C-shape with maximum convective blueshifts of up to -450 m s-1 in the spectral line wings. Toward the solar limb, the bisectors change into a "\\"-shape with a saturation in the line core at a redshift of +100 m s-1. The center-to-limb variation of the line core velocities shows a slight increase in blueshift when departing the disk center for larger heliocentric angles. This increase in blueshift is more pronounced for the magnetically less active meridian than for the equator. Toward the solar limb, the blueshift decreases and can turn into a redshift. In general, weaker lines exhibit stronger blueshifts. Conclusions: Best spectroscopic measurements enabled the accurate determination of absolute convective shifts in the solar photosphere. We convolved the results to lower spectral resolution to permit a comparison with observations from other instruments.

A simple method of measuring the effective SRS coefficient in single-mode optical fibres and the range of its applicability

NASA Astrophysics Data System (ADS)

Shikhaliev, I. I.; Gainov, V. V.; Dorozhkin, A. N.; Nanii, O. E.; Konyshev, V. A.; Treshchikov, V. N.

2017-11-01

This paper describes techniques for measuring the SRS coefficient in a wide spectral range, including the region of small Stokes shifts. A simple, approximate method is proposed for evaluating the SRS coefficient near a gain peak. Spectral dependences of the SRS coefficient are presented for various telecom fibres.

Non-Gaussian lineshapes and dynamics of time-resolved linear and nonlinear (correlation) spectra.

PubMed

Dinpajooh, Mohammadhasan; Matyushov, Dmitry V

2014-07-17

Signatures of nonlinear and non-Gaussian dynamics in time-resolved linear and nonlinear (correlation) 2D spectra are analyzed in a model considering a linear plus quadratic dependence of the spectroscopic transition frequency on a Gaussian nuclear coordinate of the thermal bath (quadratic coupling). This new model is contrasted to the commonly assumed linear dependence of the transition frequency on the medium nuclear coordinates (linear coupling). The linear coupling model predicts equality between the Stokes shift and equilibrium correlation functions of the transition frequency and time-independent spectral width. Both predictions are often violated, and we are asking here the question of whether a nonlinear solvent response and/or non-Gaussian dynamics are required to explain these observations. We find that correlation functions of spectroscopic observables calculated in the quadratic coupling model depend on the chromophore's electronic state and the spectral width gains time dependence, all in violation of the predictions of the linear coupling models. Lineshape functions of 2D spectra are derived assuming Ornstein-Uhlenbeck dynamics of the bath nuclear modes. The model predicts asymmetry of 2D correlation plots and bending of the center line. The latter is often used to extract two-point correlation functions from 2D spectra. The dynamics of the transition frequency are non-Gaussian. However, the effect of non-Gaussian dynamics is limited to the third-order (skewness) time correlation function, without affecting the time correlation functions of higher order. The theory is tested against molecular dynamics simulations of a model polar-polarizable chromophore dissolved in a force field water.

Numerical investigation of frequency spectrum in the Hasegawa-Wakatani model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Juhyung; Terry, P. W.

2013-10-15

The wavenumber-frequency spectrum of the two-dimensional Hasegawa-Wakatani model is investigated in the hydrodynamic, intermediate, and adiabatic regimes. A nonlinear frequency and a line width related to energy transfer properties provide a measure of the average frequency and spectral broadening, respectively. In the adiabatic regime, narrow spectra, typical of wave turbulence, are observed with a nonlinear frequency shift in the electron drift direction. In the hydrodynamic regime, broad spectra with almost zero nonlinear frequencies are observed. Nonlinear frequency shifts are shown to be related to nonlinear energy transfer by vorticity advection through the high frequency region of the spectrum. In themore » intermediate regime, the nonlinear frequency shift for density fluctuations is observed to be weaker than that of electrostatic potential fluctuations. The weaker frequency shift of the density fluctuations is due to nonlinear density advection, which favors energy transfer in the low frequency range. Both the nonlinear frequency and the spectral width increase with poloidal wavenumber k{sub y}. In addition, in the adiabatic regime where the nonlinear interactions manifest themselves in the nonlinear frequency shift, the cross-phase between the density and potential fluctuations is observed to match a linear relation, but only if the linear response of the linearly stable eigenmode branch is included. Implications of these numerical observations are discussed.« less

Synthesis, spectral characterization and density functional theory exploration of 1-(quinolin-3-yl)piperidin-2-ol

NASA Astrophysics Data System (ADS)

Suresh, M.; Syed Ali Padusha, M.; Bharanidharan, S.; Saleem, H.; Dhandapani, A.; Manivarman, S.

2015-06-01

The experimental and theoretical vibrational frequencies of a newly synthesized compound, namely 1-(quinolin-3-yl)piperidin-2-ol (QPPO) are analyzed. The experimental FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) of the molecule in solid phase have been recorded. The optimized molecular structure, vibrational assignments of QPPO have been investigated experimentally and theoretically using Gaussian03W software package. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The first order hyperpolarizability (β0) is calculated to find its character in non-linear optics. Gauge including atomic orbital (GIAO) method is used to calculate 1H NMR chemical shift calculations were carried out and compared with experimental data. The electronic properties like UV-Visible spectral analysis and HOMO-LUMO energies were reported. The energy gap shows that the charge transfer occurs within the molecule. Thermodynamic parameters of the title compound were calculated at various temperatures.

Controlling thermal emission with refractory epsilon-near-zero metamaterials via topological transitions

NASA Astrophysics Data System (ADS)

Dyachenko, P. N.; Molesky, S.; Petrov, A. Yu; Störmer, M.; Krekeler, T.; Lang, S.; Ritter, M.; Jacob, Z.; Eich, M.

2016-06-01

Control of thermal radiation at high temperatures is vital for waste heat recovery and for high-efficiency thermophotovoltaic (TPV) conversion. Previously, structural resonances utilizing gratings, thin film resonances, metasurfaces and photonic crystals were used to spectrally control thermal emission, often requiring lithographic structuring of the surface and causing significant angle dependence. In contrast, here, we demonstrate a refractory W-HfO2 metamaterial, which controls thermal emission through an engineered dielectric response function. The epsilon-near-zero frequency of a metamaterial and the connected optical topological transition (OTT) are adjusted to selectively enhance and suppress the thermal emission in the near-infrared spectrum, crucial for improved TPV efficiency. The near-omnidirectional and spectrally selective emitter is obtained as the emission changes due to material properties and not due to resonances or interference effects, marking a paradigm shift in thermal engineering approaches. We experimentally demonstrate the OTT in a thermally stable metamaterial at high temperatures of 1,000 °C.

Bioluminescence in a complex coastal environment: 1. Temporal dynamics of nighttime water-leaving radiance

NASA Astrophysics Data System (ADS)

Moline, Mark A.; Oliver, Matthew J.; Mobley, Curtis D.; Sundman, Lydia; Bensky, Thomas; Bergmann, Trisha; Bissett, W. Paul; Case, James; Raymond, Erika H.; Schofield, Oscar M. E.

2007-11-01

Nighttime water-leaving radiance is a function of the depth-dependent distribution of both the in situ bioluminescence emissions and the absorption and scattering properties of the water. The vertical distributions of these parameters were used as inputs for a modified one-dimensional radiative transfer model to solve for spectral bioluminescence water-leaving radiance from prescribed depths of the water column. Variation in the water-leaving radiance was consistent with local episodic physical forcing events, with tidal forcing, terrestrial runoff, particulate accumulation, and biological responses influencing the shorter timescale dynamics. There was a >90 nm shift in the peak water-leaving radiance from blue (˜474 nm) to green as light propagated to the surface. In addition to clues in ecosystem responses to physical forcing, the temporal dynamics in intensity and spectral quality of water-leaving radiance provide suitable ranges for assessing detection. This may provide the information needed to estimate the depth of internal light sources in the ocean, which is discussed in part 2 of this paper.

Controlling thermal emission with refractory epsilon-near-zero metamaterials via topological transitions

PubMed Central

Dyachenko, P. N.; Molesky, S.; Petrov, A. Yu; Störmer, M.; Krekeler, T.; Lang, S.; Ritter, M.; Jacob, Z.; Eich, M.

2016-01-01

Control of thermal radiation at high temperatures is vital for waste heat recovery and for high-efficiency thermophotovoltaic (TPV) conversion. Previously, structural resonances utilizing gratings, thin film resonances, metasurfaces and photonic crystals were used to spectrally control thermal emission, often requiring lithographic structuring of the surface and causing significant angle dependence. In contrast, here, we demonstrate a refractory W-HfO2 metamaterial, which controls thermal emission through an engineered dielectric response function. The epsilon-near-zero frequency of a metamaterial and the connected optical topological transition (OTT) are adjusted to selectively enhance and suppress the thermal emission in the near-infrared spectrum, crucial for improved TPV efficiency. The near-omnidirectional and spectrally selective emitter is obtained as the emission changes due to material properties and not due to resonances or interference effects, marking a paradigm shift in thermal engineering approaches. We experimentally demonstrate the OTT in a thermally stable metamaterial at high temperatures of 1,000 °C. PMID:27263653

Frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory

PubMed Central

Fisher, Kent A. G.; England, Duncan G.; MacLean, Jean-Philippe W.; Bustard, Philip J.; Resch, Kevin J.; Sussman, Benjamin J.

2016-01-01

The spectral manipulation of photons is essential for linking components in a quantum network. Large frequency shifts are needed for conversion between optical and telecommunication frequencies, while smaller shifts are useful for frequency-multiplexing quantum systems, in the same way that wavelength division multiplexing is used in classical communications. Here we demonstrate frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory. Heralded 723.5 nm photons, with 4.1 nm bandwidth, are stored as optical phonons in the diamond via a Raman transition. Upon retrieval from the diamond memory, the spectral shape of the photons is determined by a tunable read pulse through the reverse Raman transition. We report central frequency tunability over 4.2 times the input bandwidth, and bandwidth modulation between 0.5 and 1.9 times the input bandwidth. Our results demonstrate the potential for diamond, and Raman memories in general, as an integrated platform for photon storage and spectral conversion. PMID:27045988

Frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory.

PubMed

Fisher, Kent A G; England, Duncan G; MacLean, Jean-Philippe W; Bustard, Philip J; Resch, Kevin J; Sussman, Benjamin J

2016-04-05

The spectral manipulation of photons is essential for linking components in a quantum network. Large frequency shifts are needed for conversion between optical and telecommunication frequencies, while smaller shifts are useful for frequency-multiplexing quantum systems, in the same way that wavelength division multiplexing is used in classical communications. Here we demonstrate frequency and bandwidth conversion of single photons in a room-temperature diamond quantum memory. Heralded 723.5 nm photons, with 4.1 nm bandwidth, are stored as optical phonons in the diamond via a Raman transition. Upon retrieval from the diamond memory, the spectral shape of the photons is determined by a tunable read pulse through the reverse Raman transition. We report central frequency tunability over 4.2 times the input bandwidth, and bandwidth modulation between 0.5 and 1.9 times the input bandwidth. Our results demonstrate the potential for diamond, and Raman memories in general, as an integrated platform for photon storage and spectral conversion.

Lamp method and apparatus using multiple reflections

DOEpatents

MacLennan, Donald A.; Turner, Brian P.

2001-01-01

An electrodeless microwave discharge lamp includes an envelope with a discharge forming fill disposed therein which emits light, the fill being capable of absorbing light at one wavelength and re-emitting the absorbed light at a different wavelength, the light emitted from the fill having a first spectral power distribution in the absence of reflection of light back into the fill, a source of microwave energy coupled to the fill to excite the fill and cause the fill to emit light, and a reflector disposed within the microwave cavity and configured to reflect at least some of the light emitted by the fill back into the fill while allowing some light to exit, the exiting light having a second spectral power distribution with proportionately more light in the visible region as compared to the first spectral power distribution, wherein the light re-emitted by the fill is shifted in wavelength with respect to the absorbed light and the magnitude of the shift is in relation to an effective optical path length.

A method for simultaneous echo planar imaging of hyperpolarized 13C pyruvate and 13C lactate

NASA Astrophysics Data System (ADS)

Reed, Galen D.; Larson, Peder E. Z.; von Morze, Cornelius; Bok, Robert; Lustig, Michael; Kerr, Adam B.; Pauly, John M.; Kurhanewicz, John; Vigneron, Daniel B.

2012-04-01

A rapid echo planar imaging sequence for dynamic imaging of [1-13C] lactate and [1-13C] pyruvate simultaneously was developed. Frequency-based separation of these metabolites was achieved by spatial shifting in the phase-encoded direction with the appropriate choice of echo spacing. Suppression of the pyruvate-hydrate and alanine resonances is achieved through an optimized spectral-spatial RF waveform. Signal sampling efficiency as a function of pyruvate and lactate excitation angle was simulated using two site exchange models. Dynamic imaging is demonstrated in a transgenic mouse model, and phantom validations of the RF pulse frequency selectivity were performed.

Peptide identification

DOEpatents

Jarman, Kristin H [Richland, WA; Cannon, William R [Richland, WA; Jarman, Kenneth D [Richland, WA; Heredia-Langner, Alejandro [Richland, WA

2011-07-12

Peptides are identified from a list of candidates using collision-induced dissociation tandem mass spectrometry data. A probabilistic model for the occurrence of spectral peaks corresponding to frequently observed partial peptide fragment ions is applied. As part of the identification procedure, a probability score is produced that indicates the likelihood of any given candidate being the correct match. The statistical significance of the score is known without necessarily having reference to the actual identity of the peptide. In one form of the invention, a genetic algorithm is applied to candidate peptides using an objective function that takes into account the number of shifted peaks appearing in the candidate spectrum relative to the test spectrum.

Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach

PubMed Central

2014-01-01

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y7P, a5S, and y5P excited states. The necessary Cr–He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z7P ← a7S, y7P ← a7S, z5P ← a5S, and y5P ← a5S are compared to recent fluorescence and photoionization experiments. PMID:24906160

Photophysical study of some 3-benzoylmethyleneindol-2-ones and estimation of ground and excited states dipole moments from solvatochromic methods using solvent polarity parameters

NASA Astrophysics Data System (ADS)

Saroj, Manju K.; Sharma, Neera; Rastogi, Ramesh C.

2012-03-01

3-Benzoylmethyleneindol-2-ones, isatin based chalcones containing donor and acceptor moieties that exhibit excited-state intramolecular charge transfer, have been studied in different solvents by absorption and emission spectroscopy. The excited state behavior of these compounds is strongly dependent on the nature of substituents and the environment. These compounds show multiple emissions arising from a locally excited state and the two states due to intramolecular processes viz. intramolecular charge transfer (ICT) and excited state intramolecular proton transfer (ESIPT). Excited-state dipole moments have been calculated using Stoke-shifts of LE and ICT states using solvatochromic methods. The higher values of dipole moments obtained lead to support the formation of ICT state as one of the prominent species in the excited states of all 3-benzoylmethyleneindol-2-ones. The correlation of the solvatochromic Stokes-shifts with the microscopic solvent polarity parameter (ETN) was found to be superior to that obtained using bulk solvent polarity functions. The absorption and florescence spectral characteristics have been also investigated as a function of acidity and basicity (Ho/pH) in aqueous phase.

Solvation and spectral line shifts of chromium atoms in helium droplets based on a density functional theory approach.

PubMed

Ratschek, Martin; Pototschnig, Johann V; Hauser, Andreas W; Ernst, Wolfgang E

2014-08-21

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y(7)P, a(5)S, and y(5)P excited states. The necessary Cr-He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z(7)P ← a(7)S, y(7)P ← a(7)S, z(5)P ← a(5)S, and y(5)P ← a(5)S are compared to recent fluorescence and photoionization experiments.

Self-phase modulation enabled, wavelength-tunable ultrafast fiber laser sources: an energy scalable approach.

PubMed

Liu, Wei; Li, Chen; Zhang, Zhigang; Kärtner, Franz X; Chang, Guoqing

2016-07-11

We propose and demonstrate a new approach to implement a wavelength-tunable ultrafast fiber laser source suitable for multiphoton microscopy. We employ fiber-optic nonlinearities to broaden a narrowband optical spectrum generated by an Yb-fiber laser system and then use optical bandpass filters to select the leftmost or rightmost spectral lobes from the broadened spectrum. Detailed numerical modeling shows that self-phase modulation dominates the spectral broadening, self-steepening tends to blue shift the broadened spectrum, and stimulated Raman scattering is minimal. We also find that optical wave breaking caused by fiber dispersion slows down the shift of the leftmost/rightmost spectral lobes and therefore limits the wavelength tuning range of the filtered spectra. We show both numerically and experimentally that shortening the fiber used for spectral broadening while increasing the input pulse energy can overcome this dispersion-induced limitation; as a result, the filtered spectral lobes have higher power, constituting a powerful and practical approach for energy scaling the resulting femtosecond sources. We use two commercially available photonic crystal fibers to verify the simulation results. More specific, use of 20-mm fiber NL-1050-ZERO-2 enables us to implement an Yb-fiber laser based ultrafast source, delivering femtosecond (70-120 fs) pulses tunable from 825 nm to 1210 nm with >1 nJ pulse energy.

Inter-comparison of Wildfire and High-resolution Interferometer Sounder (HIS) data from STORM-FEST: An investigation of wildfire spectral channel discrepancies

NASA Technical Reports Server (NTRS)

Jedlovec, G. J.; Carlson, G. S.

1994-01-01

This simultaneous collection of HIS spectral measurements aboard the ER-2 during STORM-FEST provided a means to explore calibration problems in the infrared bands of the Wildfire instrument. Large discrepancies in brightness temperatures were noted in Wildfire bands designed to sample the 'wings' of the strong ozone absorption band centered at 9.6 microns, where the atmospheric transmittance changes rapidly with wavelength. Examination of interchannel relationships in Wildfire data and subsequent comparison to Wildfire data synthesized from the HIS measurements suggests that a wavelength shift in the channel spectral response from those determined in the laboratory may have occurred. Based on comparisons from several flights, this spectral shift has been empirically determined to be about 0.15 micron. It is speculated that this problem resulted from a slight misalignment of the spectrometer grating or other optical elements, or was a result of extreme range in temperatures experienced by the instrument throughout the course of an ER-2 flight. A consequence of this temperature fluctuation may be a change in a position of the grating in the optical path and could result in the variations in channel spectral response during flight. These findings for Wildfire may have significant bearing on future use of the MAS because of the similarities to the original Wildfire configuration.

Bloodstain detection and discrimination impacted by spectral shift when using an interference filter-based visible and near-infrared multispectral crime scene imaging system

NASA Astrophysics Data System (ADS)

Yang, Jie; Messinger, David W.; Dube, Roger R.

2018-03-01

Bloodstain detection and discrimination from nonblood substances on various substrates are critical in forensic science as bloodstains are a critical source for confirmatory DNA tests. Conventional bloodstain detection methods often involve time-consuming sample preparation, a chance of harm to investigators, the possibility of destruction of blood samples, and acquisition of too little data at crime scenes either in the field or in the laboratory. An imaging method has the advantages of being nondestructive, noncontact, real-time, and covering a large field-of-view. The abundant spectral information provided by multispectral imaging makes it a potential presumptive bloodstain detection and discrimination method. This article proposes an interference filter (IF) based area scanning three-spectral-band crime scene imaging system used for forensic bloodstain detection and discrimination. The impact of large angle of views on the spectral shift of calibrated IFs is determined, for both detecting and discriminating bloodstains from visually similar substances on multiple substrates. Spectral features in the visible and near-infrared portion employed by the relative band depth method are used. This study shows that 1 ml bloodstain on black felt, gray felt, red felt, white cotton, white polyester, and raw wood can be detected. Bloodstains on the above substrates can be discriminated from cola, coffee, ketchup, orange juice, red wine, and green tea.

Investigation on the impact of irregular fringe patterns of a single-fiber Mach-Zehnder interferometer on its sensing capabilities

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Kumar, Ashish

2018-07-01

A novel single-mode single-fiber (SMSF) MZI formed by cascading of two non-adiabatic fiber tapers, with stable and repeatable spectrum, has been found to be useful in sensing applications in recent times. A multimode interference based novel simulation approach is proposed to predict the sensing characteristics of SMSF-MZI and is validated with experimental observation. The proposed method includes solving of simultaneous non-homogenous equations for determining the amplitudes of the interfering modes excited in the tapered section of the interferometer. The simulated fringe pattern and the experimental spectral response converge to some important comprehension reported for the first time. A linear shift in output spectral response, of SMSF-MZI, due to change in optical path length induced by temperature/strain etc., is likely to be characterized by three modes interference occurring in the interference region of the interferometer. Whereas if the spectral shift starts saturating at moderately higher temperature/strain, then the formation of interference fringes are possibly governed by two modes interference. Further, it was also explained that a SMSF-MZI with variable fringe widths in its spectral pattern exhibits higher sensitivity than that of the SMSF-MZI having wavelength spectrum with uniform free spectral range. These findings are useful in selecting and predicting the sensitivity of a given SMSF-MZI, based on its spectrum, for sensing applications.

Spectral changes in stochastic anisotropic electromagnetic beams propagating through turbulent ocean

NASA Astrophysics Data System (ADS)

Tang, Miaomiao; Zhao, Daomu

2014-02-01

Based on the extended Huygens-Fresnel principle and the unified theory of coherence and polarization of light, the spectral changes of stochastic anisotropic electromagnetic beams propagating through oceanic turbulence are revealed. As an example, some numerical calculations are illustrated for an anisotropic electromagnetic Gaussian Schell-model beam propagating in a homogeneous and isotropic turbulent ocean. It is shown that, under the influence of oceanic turbulence, the on-axis spectrum is always blue-shifted along with the propagation distance, however, for the off-axis positions, red-blue spectral switch can be found.

Polar cap photoionization and the ten-hour clock at Jupiter

NASA Technical Reports Server (NTRS)

Goertz, C. K.; Baker, D. N.

1985-01-01

It is shown that the clock-like modulation of the spectral index of energetic electrons (greater than 2 MeV) in the outer Jovian magnetosphere is due to a periodic shift of the particle energy spectrum toward higher and lower energies. This shift results in a modulation of the spectral index when the spectrum is not a pure power law in energy. It is suggested that the periodic energization is due to a periodic modulation of the magnetic field in the outer magnetosphere. This modulation is caused by a variation of the longitudinally averaged Pedersen conductivity due to the asymmetric solar illumination of the trace of the magnetodisk in the high-latitude ionospheres. Such a modulation requires the presence of a surface magnetic anomaly.

Unusually large Stokes shift for a near-infrared emitting DNA-stabilized silver nanocluster

NASA Astrophysics Data System (ADS)

Ammitzbøll Bogh, Sidsel; Carro-Temboury, Miguel R.; Cerretani, Cecilia; Swasey, Steven M.; Copp, Stacy M.; Gwinn, Elisabeth G.; Vosch, Tom

2018-04-01

In this paper we present a new near-IR emitting silver nanocluster (NIR-DNA-AgNC) with an unusually large Stokes shift between absorption and emission maximum (211 nm or 5600 cm-1). We studied the effect of viscosity and temperature on the steady state and time-resolved emission. The time-resolved results on NIR-DNA-AgNC show that the relaxation dynamics slow down significantly with increasing viscosity of the solvent. In high viscosity solution, the spectral relaxation stretches well into the nanosecond scale. As a result of this slow spectral relaxation in high viscosity solutions, a multi-exponential fluorescence decay time behavior is observed, in contrast to the more mono-exponential decay in low viscosity solution.

An in-plane nano-mechanics approach to achieve reversible resonance control of photonic crystal nanocavities.

PubMed

Chew, Xiongyeu; Zhou, Guangya; Yu, Hongbin; Chau, Fook Siong; Deng, Jie; Loke, Yee Chong; Tang, Xiaosong

2010-10-11

Control of photonic crystal resonances in conjunction with large spectral shifting is critical in achieving reconfigurable photonic crystal devices. We propose a simple approach to achieve nano-mechanical control of photonic crystal resonances within a compact integrated on-chip approach. Three different tip designs utilizing an in-plane nano-mechanical tuning approach are shown to achieve reversible and low-loss resonance control on a one-dimensional photonic crystal nanocavity. The proposed nano-mechanical approach driven by a sub-micron micro-electromechanical system integrated on low loss suspended feeding nanowire waveguide, achieved relatively large resonance spectral shifts of up to 18 nm at a driving voltage of 25 V. Such designs may potentially be used as tunable optical filters or switches.

Extreme temperature robust optical sensor designs and fault-tolerant signal processing

DOEpatents

Riza, Nabeel Agha [Oviedo, FL; Perez, Frank [Tujunga, CA

2012-01-17

Silicon Carbide (SiC) probe designs for extreme temperature and pressure sensing uses a single crystal SiC optical chip encased in a sintered SiC material probe. The SiC chip may be protected for high temperature only use or exposed for both temperature and pressure sensing. Hybrid signal processing techniques allow fault-tolerant extreme temperature sensing. Wavelength peak-to-peak (or null-to-null) collective spectrum spread measurement to detect wavelength peak/null shift measurement forms a coarse-fine temperature measurement using broadband spectrum monitoring. The SiC probe frontend acts as a stable emissivity Black-body radiator and monitoring the shift in radiation spectrum enables a pyrometer. This application combines all-SiC pyrometry with thick SiC etalon laser interferometry within a free-spectral range to form a coarse-fine temperature measurement sensor. RF notch filtering techniques improve the sensitivity of the temperature measurement where fine spectral shift or spectrum measurements are needed to deduce temperature.

Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products

NASA Astrophysics Data System (ADS)

Schollée, Jennifer E.; Schymanski, Emma L.; Stravs, Michael A.; Gulde, Rebekka; Thomaidis, Nikolaos S.; Hollender, Juliane

2017-12-01

High-resolution tandem mass spectrometry (HRMS2) with electrospray ionization is frequently applied to study polar organic molecules such as micropollutants. Fragmentation provides structural information to confirm structures of known compounds or propose structures of unknown compounds. Similarity of HRMS2 spectra between structurally related compounds has been suggested to facilitate identification of unknown compounds. To test this hypothesis, the similarity of reference standard HRMS2 spectra was calculated for 243 pairs of micropollutants and their structurally related transformation products (TPs); for comparison, spectral similarity was also calculated for 219 pairs of unrelated compounds. Spectra were measured on Orbitrap and QTOF mass spectrometers and similarity was calculated with the dot product. The influence of different factors on spectral similarity [e.g., normalized collision energy (NCE), merging fragments from all NCEs, and shifting fragments by the mass difference of the pair] was considered. Spectral similarity increased at higher NCEs and highest similarity scores for related pairs were obtained with merged spectra including measured fragments and shifted fragments. Removal of the monoisotopic peak was critical to reduce false positives. Using a spectral similarity score threshold of 0.52, 40% of related pairs and 0% of unrelated pairs were above this value. Structural similarity was estimated with the Tanimoto coefficient and pairs with higher structural similarity generally had higher spectral similarity. Pairs where one or both compounds contained heteroatoms such as sulfur often resulted in dissimilar spectra. This work demonstrates that HRMS2 spectral similarity may indicate structural similarity and that spectral similarity can be used in the future to screen complex samples for related compounds such as micropollutants and TPs, assisting in the prioritization of non-target compounds. [Figure not available: see fulltext.

Model Order Reduction Algorithm for Estimating the Absorption Spectrum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Beeumen, Roel; Williams-Young, David B.; Kasper, Joseph M.

The ab initio description of the spectral interior of the absorption spectrum poses both a theoretical and computational challenge for modern electronic structure theory. Due to the often spectrally dense character of this domain in the quantum propagator’s eigenspectrum for medium-to-large sized systems, traditional approaches based on the partial diagonalization of the propagator often encounter oscillatory and stagnating convergence. Electronic structure methods which solve the molecular response problem through the solution of spectrally shifted linear systems, such as the complex polarization propagator, offer an alternative approach which is agnostic to the underlying spectral density or domain location. This generality comesmore » at a seemingly high computational cost associated with solving a large linear system for each spectral shift in some discretization of the spectral domain of interest. In this work, we present a novel, adaptive solution to this high computational overhead based on model order reduction techniques via interpolation. Model order reduction reduces the computational complexity of mathematical models and is ubiquitous in the simulation of dynamical systems and control theory. The efficiency and effectiveness of the proposed algorithm in the ab initio prediction of X-ray absorption spectra is demonstrated using a test set of challenging water clusters which are spectrally dense in the neighborhood of the oxygen K-edge. On the basis of a single, user defined tolerance we automatically determine the order of the reduced models and approximate the absorption spectrum up to the given tolerance. We also illustrate that, for the systems studied, the automatically determined model order increases logarithmically with the problem dimension, compared to a linear increase of the number of eigenvalues within the energy window. Furthermore, we observed that the computational cost of the proposed algorithm only scales quadratically with respect to the problem dimension.« less

[Testing method research for key performance indicator of imaging acousto-optic tunable filter (AOTF)].

PubMed

Hu, Shan-Zhou; Chen, Fen-Fei; Zeng, Li-Bo; Wu, Qiong-Shui

2013-01-01

Imaging AOTF is an important optical filter component for new spectral imaging instruments developed in recent years. The principle of imaging AOTF component was demonstrated, and a set of testing methods for some key performances were studied, such as diffraction efficiency, wavelength shift with temperature, homogeneity in space for diffraction efficiency, imaging shift, etc.

Cambrian origin of the CYP27C1-mediated vitamin A1-to-A2 switch, a key mechanism of vertebrate sensory plasticity

USGS Publications Warehouse

Morshedian, Ala; Toomery, Matthew B.; Pollock, Gabriel E.; Frederiksen, Rikard; Enright, Jennifer; McCormick, Stephen; Cornwall, M. Carter; Fain, Gordon L.; Corbo, Joseph C.

2017-01-01

The spectral composition of ambient light varies across both space and time. Many species of jawed vertebrates adapt to this variation by tuning the sensitivity of their photoreceptors via the expression of CYP27C1, an enzyme that converts vitamin A1 into vitamin A2, thereby shifting the ratio of vitamin A1-based rhodopsin to red-shifted vitamin A2-based porphyropsin in the eye. Here, we show that the sea lamprey (Petromyzon marinus), a jawless vertebrate that diverged from jawed vertebrates during the Cambrian period (approx. 500 Ma), dynamically shifts its photoreceptor spectral sensitivity via vitamin A1-to-A2 chromophore exchange as it transitions between photically divergent aquatic habitats. We further show that this shift correlates with high-level expression of the lamprey orthologue of CYP27C1, specifically in the retinal pigment epithelium as in jawed vertebrates. Our results suggest that the CYP27C1-mediated vitamin A1-to-A2 switch is an evolutionarily ancient mechanism of sensory plasticity that appeared not long after the origin of vertebrates.

System Construction for the Measurement of Bragg Grating Characteristics in Optical Fibers

NASA Technical Reports Server (NTRS)

West, Douglas P.

1995-01-01

Bragg gratings are used to measure strain in optical fibers. To measure strain they are sometimes used as a smart structure. They must be characterized after they are written to determine their spectral response. This paper deals with the test setup to characterize Bragg grating spectral responses.Bragg gratings are a photo-induced phenomena in optical fibers. The gratings can be used to measure strain by measuring the shift in wavelength. They placed the fibers into a smart structure to measure the stress and strain produced on support columns placed in bridges. As the cable is subjected to strain the grating causes a shift to a longer wavelength if the fiber is stretched and a shift to a shorter wavelength shift if the fiber is compacted. Our applications involve using the fibers to measure stress and strain on airborne systems. There are many ways to write Bragg gratings into optical fibers. Our focus is on side writing the grating. Our capabilities are limited in the production rate of the gratings. The Bragg grating is written into a fiber and becomes a permanent fixture. We are writing the grating to be centered at 1300 nm because that is the standard phase mask wavelength.

Persistent optical hole-burning spectroscopy of nano-confined dye molecules in liquid at room temperature: Spectral narrowing due to a glassy state and extraordinary relaxation in a nano-cage

NASA Astrophysics Data System (ADS)

Murakami, Hiroshi

2018-04-01

Persistent optical hole-burning spectroscopy has been conducted for a dye molecule within a very small (˜1 nm) reverse micelle at room temperature. The spectra show a spectral narrowing due to site-selective excitation. This definitely demonstrates that the surroundings of the dye molecule are in a glassy state regardless of a solution at room temperature. On the other hand, the hole-burning spectra exhibit large shifts from excitation frequencies, and their positions are almost independent of excitation frequencies. The hole-burning spectra have been theoretically calculated by taking account of a vibronic absorption band of the dye molecule under the assumption that the surroundings of the dye molecule are in a glassy state. The calculated results agree with the experimental ones that were obtained for the dye molecule in a polymer glass for comparison, where it has been found that the ratio of hole-burning efficiencies of vibronic- to electronic-band excitations is quite high. On the other hand, the theoretical results do not explain the large spectral shift from the excitation frequency and small spectral narrowing observed in the hole-burning spectra measured for the dye-containing reverse micelle. It is thought that the spectral shift and broadening occur within the measurement time owing to the relaxation process of the surroundings that are hot with the thermal energy deposited by the dye molecule optically excited. Furthermore, the relaxation should be temporary because the cooling of the inside of the reverse micelle takes place with the dissipation of the excess thermal energy to the outer oil solvent, and so the surroundings of the dye molecule return to the glassy state and do not attain the thermal equilibrium. These results suggest that a very small reverse micelle provides a unique reaction field in which the diffusional motion can be controlled by light in a glassy state.

3D Double-Quantum/Double-Quantum Exchange Spectroscopy of Protons under 100 kHz Magic Angle Spinning.

PubMed

Zhang, Rongchun; Duong, Nghia Tuan; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

2017-06-22

Solid-state 1 H NMR spectroscopy has attracted much attention in the recent years due to the remarkable spectral resolution improvement by ultrafast magic-angle-spinning (MAS) as well as due to the sensitivity enhancement rendered by proton detection. Although these developments have enabled the investigation of a variety of challenging chemical and biological solids, the proton spectral resolution is still poor for many rigid solid systems owing to the presence of conformational heterogeneity and the unsuppressed residual proton-proton dipolar couplings even with the use of the highest currently feasible sample spinning speed of ∼130 kHz. Although a further increase in the spinning speed of the sample could be beneficial to some extent, there is a need for alternate approaches to enhance the spectral resolution. Herein, by fully utilizing the benefits of double-quantum (DQ) coherences, we propose a single radio frequency channel proton-based 3D pulse sequence that correlates double-quantum (DQ), DQ, and single-quantum (SQ) chemical shifts of protons. In addition to the two-spin homonuclear proximity information, the proposed 3D DQ/DQ/SQ experiment also enables the extraction of three-spin and four-spin proximities, which could be beneficial for revealing the dipolar coupled proton network in the solid state. Besides, the 2D DQ/DQ spectrum sliced at different isotropic SQ chemical shift values of the 3D DQ/DQ/SQ spectrum will also facilitate the identification of DQ correlation peaks and improve the spectral resolution, as it only provides the local homonuclear correlation information associated with the specific protons selected by the SQ chemical shift frequency. The 3D pulse sequence and its efficiency are demonstrated experimentally on small molecular compounds in the solid state. We expect that this approach would create avenues for further developments by suitably combining the benefits of partial deuteration of samples, selective excitation/decoupling pulses, heteronuclear spins for spectral editing, and nonuniform sampling.

Spectral Properties and Dynamics of Gold Nanorods Revealed by EMCCD Based Spectral-Phasor Method

PubMed Central

Chen, Hongtao; Digman, Michelle A.

2015-01-01

Gold nanorods (NRs) with tunable plasmon-resonant absorption in the near-infrared region have considerable advantages over organic fluorophores as imaging agents. However, the luminescence spectral properties of NRs have not been fully explored at the single particle level in bulk due to lack of proper analytic tools. Here we present a global spectral phasor analysis method which allows investigations of NRs' spectra at single particle level with their statistic behavior and spatial information during imaging. The wide phasor distribution obtained by the spectral phasor analysis indicates spectra of NRs are different from particle to particle. NRs with different spectra can be identified graphically in corresponding spatial images with high spectral resolution. Furthermore, spectral behaviors of NRs under different imaging conditions, e.g. different excitation powers and wavelengths, were carefully examined by our laser-scanning multiphoton microscope with spectral imaging capability. Our results prove that the spectral phasor method is an easy and efficient tool in hyper-spectral imaging analysis to unravel subtle changes of the emission spectrum. Moreover, we applied this method to study the spectral dynamics of NRs during direct optical trapping and by optothermal trapping. Interestingly, spectral shifts were observed in both trapping phenomena. PMID:25684346

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: electronic and vibrational properties.

PubMed

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP). Copyright © 2013 Elsevier B.V. All rights reserved.

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

NASA Astrophysics Data System (ADS)

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

Kinetics and equilibria of cyanide binding to prostaglandin H synthase.

PubMed

MacDonald, I D; Dunford, H B

1989-09-01

Cyanide binding to prostaglandin H (PGH) synthase results in a spectral shift in the Soret region. This shift was exploited to determine equilibrium and kinetic parameters of the cyanide binding process. At pH 8.0, ionic strength 0.22 M, 4 degrees C, the cyanide dissociation constant, determined from equilibrium experiments, is (65 +/- 10) microM. The binding rate constant is (2.8 +/- 0.2) x 10(3) M-1 s-1, and the dissociation rate constant is zero within experimental error. Through a kinetic study of the binding process as a function of pH, from pH 3.96 to 8.00, it was possible to determine the pKa of a heme-linked acid group on the enzyme of 4.15 +/- 0.10 with citrate buffer. An apparent pKa of 4.75 +/- 0.03 was determined with acetate buffer; this different value is attributed to complexation of the enzyme with one of the components of the acetate buffer.

Solvatochromic fluorescence characteristics of cinnamoyl pyrone derivatives

NASA Astrophysics Data System (ADS)

Benosmane, Nadjib; Boutemeur, Baya; Hamdi, Safouane M.; Hamdi, Maamar; Silva, Artur S. M.

2017-12-01

The solvatochromic fluorescence behavior of cinnamoyl pyrone derivatives has been studied in several polar and non-polar solvents. The fluorescence spectra of these compounds exhibit red shift from its absorption spectra and present an excellent correlation with solvent polarity. Cinnamoyl pyrones show a significant spectral shift in fluorescence emission as a function of water composition in binary aqueous solutions mixture. This change is due to the specific intermolecular hydrogen bonding of cinnamoyl pyrones with a molecules of water, due to the deactivation of the lowest excited singlet state of these compounds. The relative quantum yields are calculated. It is found that the quantum yields of the cinnamoyl pyrones vary with the change in the solvent polarity indicating the dependency of fluorescence properties on the solvent nature. It has been observed that the addition of water and pH medium can affect the fluorescence properties of cinnamoyl pyrones in ethanol. This study exhibited that due to the solvent sensitive emission, cinnamoyl pyrone derivatives are a good compound to be used as fluorescence probes.

Electron-phonon interaction in three-barrier nanosystems as active elements of quantum cascade detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tkach, N. V., E-mail: ktf@chnu.edu.ua; Seti, Ju. A.; Grynyshyn, Yu. B.

2015-04-15

The theory of electron tunneling through an open nanostructure as an active element of a quantum cascade detector is developed, which takes into account the interaction of electrons with confined and interface phonons. Using the method of finite-temperature Green’s functions and the electron-phonon Hamiltonian in the representation of second quantization over all system variables, the temperature shifts and electron-level widths are calculated and the contributions of different electron-phonon-interaction mechanisms to renormalization of the spectral parameters are analyzed depending on the geometrical configuration of the nanosystem. Due to weak electron-phonon coupling in a GaAs/Al{sub 0.34}Ga{sub 0.66}As-based resonant tunneling nanostructure, the temperaturemore » shift and rf field absorption peak width are not very sensitive to the electron-phonon interaction and result from a decrease in potential barrier heights caused by a difference in the temperature dependences of the well and barrier band gaps.« less

Fabrication and characterization of thermo-responsive gold nanorod assemblies

NASA Astrophysics Data System (ADS)

Bustamante, Gilbert; Carrizales, Katherine; DeLuna, Frank; Large, Nicolas; Ye, Jing Yong

2018-02-01

Advancements in nanotechnology sensors have aided in the detection of subtle, but significant cellular deviations that may mark certain stages of diseases. Gold nanorods (GNRs) are often studied for this purpose due to their tunable optical properties and ease in surface functionalization. The absorption properties of GNRs are governed by the localized surface plasmon resonance (LSPR), which strongly depends on the GNR's aspect ratio and on interparticle interactions. By controlling the coupling of nearby rods, a sensor can be created to respond to temperature fluctuations in the local environment. Here, we fabricated thermo-responsive gold nanorod assemblies by conjugating GNRs in end-to-end or side-by-side configurations using Poly(N-isopropyl acrylamide) (PNIPAM). End-to-end assemblies were fabricated through mixture of GNRs and PNIPAM in DI water. GNRs and PNIPAM were combined in DI water and dimethylformamide (DMF) under sonication to achieve side-by-side configuration. The optical absorption of the assemblies was measured by UV-Visible spectroscopy at different temperatures. As the temperature increased, the polymer contracted and initiated plasmon coupling between the GNRs. The optical spectrum experienced a blue- or red-shift for side-by-side or end-to-end configurations, respectively. Spectral tunability reversal was observed when cooled. Experimental results were verified by finite-difference time-domain (FDTD) calculations, which demonstrated spectral shifts under similar parameters. We present methods for fabrication of thermo-responsive gold nanorods for use as a local thermal nanosensor.

Monitoring Spring Recovery of Photosynthesis and Spectral Reflectance in Temperate Evergreen and Mixed Deciduous Forests

NASA Astrophysics Data System (ADS)

Wong, C. Y.; Arain, M. A.; Ensminger, I.

2015-12-01

Evergreen conifers in boreal and temperate regions undergo strong seasonal changes in photoperiod and temperatures, which characterizes their photosynthetic activity with high activity in the growing season and downregulation during the winter season. Monitoring the timing of the transitions in evergreens is difficult since it's a largely invisible process, unlike deciduous trees that have a visible budding and senescence sequence. Spectral reflectance and the photochemical reflectance index (PRI), often used as a proxy for photosynthetic light-use efficiency, provides a promising tool to track the transition of evergreens between inactive and active photosynthetic states. To better understand the relationship between PRI and photosynthetic activity and to contrast this relationship between plant functional types, the spring recovery of an evergreen forest and mixed deciduous forest was monitored using spectral reflectance, chlorophyll fluorescence and gas exchange. All metrics indicate photosynthetic recovery during the spring season. These findings indicate that PRI can be used to observe the spring recovery of photosynthesis in evergreen conifers but may not be best suited for deciduous trees. These findings have implications for remote sensing, which provides a promising long-term monitoring system of whole ecosystems, which is important since their roles in the carbon cycle may shift in response to climate change.

Chromospheric polarimetry through multiline observations of the 850-nm spectral region - II. A magnetic flux tube scenario

NASA Astrophysics Data System (ADS)

Quintero Noda, C.; Kato, Y.; Katsukawa, Y.; Oba, T.; de la Cruz Rodríguez, J.; Carlsson, M.; Shimizu, T.; Orozco Suárez, D.; Ruiz Cobo, B.; Kubo, M.; Anan, T.; Ichimoto, K.; Suematsu, Y.

2017-11-01

In this publication, we continue the work started in Quintero Noda et al., examining this time a numerical simulation of a magnetic flux tube concentration. Our goal is to study if the physical phenomena that take place in it, in particular, the magnetic pumping, leaves a specific imprint on the examined spectral lines. We find that the profiles from the interior of the flux tube are periodically doppler shifted following an oscillation pattern that is also reflected in the amplitude of the circular polarization signals. In addition, we analyse the properties of the Stokes profiles at the edges of the flux tube discovering the presence of linear polarization signals for the Ca II lines, although they are weak with an amplitude around 0.5 per cent of the continuum intensity. Finally, we compute the response functions to perturbations in the longitudinal field, and we estimate the field strength using the weak-field approximation. Our results indicate that the height of formation of the spectral lines changes during the magnetic pumping process, which makes the interpretation of the inferred magnetic field strength and its evolution more difficult. These results complement those from previous works, demonstrating the capabilities and limitations of the 850-nm spectrum for chromospheric Zeeman polarimetry in a very dynamic and complex atmosphere.

Time-resolved Sensing of Meso-scale Shock Compression with Multilayer Photonic Crystal Structures

NASA Astrophysics Data System (ADS)

Scripka, David; Lee, Gyuhyon; Summers, Christopher J.; Thadhani, Naresh

2017-06-01

Multilayer Photonic Crystal structures can provide spatially and temporally resolved data needed to validate theoretical and computational models relevant for understanding shock compression in heterogeneous materials. Two classes of 1-D photonic crystal multilayer structures were studied: optical microcavities (OMC) and distributed Bragg reflectors (DBR). These 0.5 to 5 micron thick structures were composed of SiO2, Al2O3, Ag, and PMMA layers fabricated primarily via e-beam evaporation. The multilayers have unique spectral signatures inherently linked to their time-resolved physical states. By observing shock-induced changes in these signatures, an optically-based pressure sensor was developed. Results to date indicate that both OMCs and DBRs exhibit nanosecond-resolved spectral shifts of several to 10s of nanometers under laser-driven shock compression loads of 0-10 GPa, with the magnitude of the shift strongly correlating to the shock load magnitude. Additionally, spatially and temporally resolved spectral shifts under heterogeneous laser-driven shock compression created by partial beam blocking have been successfully demonstrated. These results illustrate the potential for multilayer structures to serve as meso-scale sensors, capturing temporal and spatial pressure profile evolutions in shock-compressed heterogeneous materials, and revealing meso-scale pressure distributions across a shocked surface. Supported by DTRA Grant HDTRA1-12-1-005 and DoD, AFOSR, National Defense Science and Eng. Graduate Fellowship, 32 CFR 168a.

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

PubMed

Mariappan, G; Sundaraganesan, N

2014-01-03

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. Copyright © 2013 Elsevier B.V. All rights reserved.

Molecular imaging and sensing using plasmonic nanoparticles

NASA Astrophysics Data System (ADS)

Crow, Matthew James

Noble metal nanoparticles exhibit unique optical properties that are beneficial to a variety of applications, including molecular imaging. The large scattering cross sections of nanoparticles provide high contrast necessary for biomarkers. Unlike alternative contrast agents, nanoparticles provide refractive index sensitivity revealing information regarding the local cellular environment. Altering the shape and composition of the nanoparticle shifts the peak resonant wavelength of scattered light, allowing for implementation of multiple spectrally distinct tags. In this project, nanoparticles that scatter in different spectral windows are functionalized with various antibodies recognizing extra-cellular receptors integral to cancer progression. A hyperspectral imaging system is developed, allowing for visualization and spectral characterization of cells labeled with these conjugates. Various molecular imaging and microspectroscopy applications of plasmonic nanoparticles are then investigated. First, anti-EGFR gold nanospheres are shown to quantitatively measure receptor expression with similar performance to fluorescence assays. Second, anti-EGFR gold nanorods and novel anti-IGF-1R silver nanospheres are implemented to indicate local cellular refractive indices. Third, because biosensing capabilities of nanoparticle tags may be limited by plasmonic coupling, polarization mapping is investigated as a method to discern these effects. Fourth, plasmonic coupling is tested to monitor HER-2 dimerization. Experiments reveal the interparticle conformation of proximal HER-2 bound labels, required for plasmonic coupling-enhanced dielectric sensing. Fifth, all three functionalized plasmonic tags are implemented simultaneously to indicate clinically relevant cell immunophenotype information and changes in the cellular dielectric environment. Finally, flow cytometry experiments are conducted utilizing the anti-EGFR nanorod tag to demonstrate profiling of receptor expression distribution and potential increased multiplexing capability.

Differential Fe I Line Shifts as Convective Signatures in R = 40000 Échelle Spectra

NASA Astrophysics Data System (ADS)

Gullberg, D.

Stellar surface convection causes spectral lines to become asymmetric and wavelength shifted. At moderate spectral resolution, some convective signatures remain visible, in particular wavelength shifts between different classes of spectral lines. Spectra obtained from the Moon, the Hyades and Ursa Major open-cluster stars, several IAU radial-velocity standards and some other stars were observed during 1997. The observations were made at the Observatoire de Haute-Provence using the echelle spectrograph Elodie (R=40,000). Even if the resolution and noise would prevent measurements of asymmetries in the lines, the shift of the entire line is measurable. In solar-type stars, deep FeI lines have less convective shift than shallow ones. To search for such signatures, synthetic correlation masks with FeI lines were created for only deep and only shallow lines respectively, where the line-depth breakpoint was set at 60% of the continuum. The line wavelengths were taken from the best empirical FeI linelist available. 287 largely unblended lines were selected, divided as 137 deep and 150 shallow ones. The spectra were correlated with the synthetic FeI templates, yielding separate velocities for the deep and shallow line groups. The results show a distinct inversion in the convective signature for F stars, as well as for one G0 supergiant, as compared to the Sun. This is compatible with bisector analyses found elsewhere in the literature. The granulation boundary for main-sequence stars is believed to lie around F0, although we see a convective signature inversion beginning already for late F stars. Future work will include incrementing the number of lines used, using also FeII and other species. Selection of line subsets will be based on atomic parameters, e.g. the lower excitation level and log gf. With a careful selection of lines, even extraction of bisector shapes might become possible from modest-resolution spectra.

Directional and Spectral Irradiance in Ocean Models: Effects on Simulated Global Phytoplankton, Nutrients, and Primary Production

NASA Technical Reports Server (NTRS)

Gregg, Watson W.; Rousseaux, Cecile S.

2016-01-01

The importance of including directional and spectral light in simulations of ocean radiative transfer was investigated using a coupled biogeochemical-circulation-radiative model of the global oceans. The effort focused on phytoplankton abundances, nutrient concentrations and vertically-integrated net primary production. The importance was approached by sequentially removing directional (i.e., direct vs. diffuse) and spectral irradiance and comparing results of the above variables to a fully directionally and spectrally-resolved model. In each case the total irradiance was kept constant; it was only the pathways and spectral nature that were changed. Assuming all irradiance was diffuse had negligible effect on global ocean primary production. Global nitrate and total chlorophyll concentrations declined by about 20% each. The largest changes occurred in the tropics and sub-tropics rather than the high latitudes, where most of the irradiance is already diffuse. Disregarding spectral irradiance had effects that depended upon the choice of attenuation wavelength. The wavelength closest to the spectrally-resolved model, 500 nm, produced lower nitrate (19%) and chlorophyll (8%) and higher primary production (2%) than the spectral model. Phytoplankton relative abundances were very sensitive to the choice of non-spectral wavelength transmittance. The combined effects of neglecting both directional and spectral irradiance exacerbated the differences, despite using attenuation at 500 nm. Global nitrate decreased 33% and chlorophyll decreased 24%. Changes in phytoplankton community structure were considerable, representing a change from chlorophytes to cyanobacteria and coccolithophores. This suggested a shift in community function, from light-limitation to nutrient limitation: lower demands for nutrients from cyanobacteria and coccolithophores favored them over the more nutrient-demanding chlorophytes. Although diatoms have the highest nutrient demands in the model, their relative abundances were generally unaffected because they only prosper in nutrient-rich regions, such as the high latitudes and upwelling regions, which showed the fewest effects from the changes in radiative simulations. The results showed that including directional and spectral irradiance when simulating the ocean light field can be important for ocean biology, but the magnitude varies with variables and regions. The quantitative results are intended to assist ocean modelers when considering improved irradiance representations relative to other processes or variables associated with the issues of interest.

Brillouin Scattering Spectrum Analysis Based on Auto-Regressive Spectral Estimation

NASA Astrophysics Data System (ADS)

Huang, Mengyun; Li, Wei; Liu, Zhangyun; Cheng, Linghao; Guan, Bai-Ou

2018-06-01

Auto-regressive (AR) spectral estimation technology is proposed to analyze the Brillouin scattering spectrum in Brillouin optical time-domain refelectometry. It shows that AR based method can reliably estimate the Brillouin frequency shift with an accuracy much better than fast Fourier transform (FFT) based methods provided the data length is not too short. It enables about 3 times improvement over FFT at a moderate spatial resolution.

Spread Spectrum Signal Characteristic Estimation Using Exponential Averaging and an AD-HOC Chip rate Estimator

DTIC Science & Technology

2007-03-01

Quadrature QPSK Quadrature Phase-Shift Keying RV Random Variable SHAC Single-Hop-Observation Auto- Correlation SINR Signal-to-Interference...The fast Fourier transform ( FFT ) accumulation method and the strip spectral correlation algorithm subdivide the support region in the bi-frequency...diamond shapes, while the strip spectral correlation algorithm subdivides the region into strips. Each strip covers a number of the FFT accumulation

A Skew-t space-varying regression model for the spectral analysis of resting state brain activity.

PubMed

Ismail, Salimah; Sun, Wenqi; Nathoo, Farouk S; Babul, Arif; Moiseev, Alexader; Beg, Mirza Faisal; Virji-Babul, Naznin

2013-08-01

It is known that in many neurological disorders such as Down syndrome, main brain rhythms shift their frequencies slightly, and characterizing the spatial distribution of these shifts is of interest. This article reports on the development of a Skew-t mixed model for the spatial analysis of resting state brain activity in healthy controls and individuals with Down syndrome. Time series of oscillatory brain activity are recorded using magnetoencephalography, and spectral summaries are examined at multiple sensor locations across the scalp. We focus on the mean frequency of the power spectral density, and use space-varying regression to examine associations with age, gender and Down syndrome across several scalp regions. Spatial smoothing priors are incorporated based on a multivariate Markov random field, and the markedly non-Gaussian nature of the spectral response variable is accommodated by the use of a Skew-t distribution. A range of models representing different assumptions on the association structure and response distribution are examined, and we conduct model selection using the deviance information criterion. (1) Our analysis suggests region-specific differences between healthy controls and individuals with Down syndrome, particularly in the left and right temporal regions, and produces smoothed maps indicating the scalp topography of the estimated differences.

Binary pseudo-random patterned structures for modulation transfer function calibration and resolution characterization of a full-field transmission soft x-ray microscope

DOE PAGES

Yashchuk, V. V.; Fischer, P. J.; Chan, E. R.; ...

2015-12-09

We present a modulation transfer function (MTF) calibration method based on binary pseudo-random (BPR) one-dimensional sequences and two-dimensional arrays as an effective method for spectral characterization in the spatial frequency domain of a broad variety of metrology instrumentation, including interferometric microscopes, scatterometers, phase shifting Fizeau interferometers, scanning and transmission electron microscopes, and at this time, x-ray microscopes. The inherent power spectral density of BPR gratings and arrays, which has a deterministic white-noise-like character, allows a direct determination of the MTF with a uniform sensitivity over the entire spatial frequency range and field of view of an instrument. We demonstrate themore » MTF calibration and resolution characterization over the full field of a transmission soft x-ray microscope using a BPR multilayer (ML) test sample with 2.8 nm fundamental layer thickness. We show that beyond providing a direct measurement of the microscope's MTF, tests with the BPRML sample can be used to fine tune the instrument's focal distance. Finally, our results confirm the universality of the method that makes it applicable to a large variety of metrology instrumentation with spatial wavelength bandwidths from a few nanometers to hundreds of millimeters.« less

Preparation, electrochemical and spectral properties of free-base and manganese N-methyl-pyridylethynyl porphyrins.

PubMed

Lin, Ching-Yao; Chen, Yen-Chuan; Yao, Chi-Wen; Huang, Sung-Chou; Cheng, Yi-Hui

2008-02-14

Two series of free-base and manganese N-methyl-pyridylethynyl-5,15-biphenyl porphyrins were synthesized, and their UV-Visible, electrochemical and spectro-electrochemical properties were studied. Cyclic voltammetry experiments showed positive shifts in the reduction potentials and the UV-Visible spectra showed significant red-shifts in the absorption wavelengths of these porphyrins, indicating the effects of N-methyl-pyridylethynyl substituents.

All-fiber optical filter with an ultranarrow and rectangular spectral response.

PubMed

Zou, Xihua; Li, Ming; Pan, Wei; Yan, Lianshan; Azaña, José; Yao, Jianping

2013-08-15

Optical filters with an ultranarrow and rectangular spectral response are highly desired for high-resolution optical/electrical signal processing. An all-fiber optical filter based on a fiber Bragg grating with a large number of phase shifts is designed and fabricated. The measured spectral response shows a 3 dB bandwidth of 650 MHz and a rectangular shape factor of 0.513 at the 25 dB bandwidth. This is the narrowest rectangular bandpass response ever reported for an all-fiber filter, to the best of our knowledge. The filter has also the intrinsic advantages of an all-fiber implementation.

Earth field NMR with chemical shift spectral resolution: theory and proof of concept.

PubMed

Katz, Itai; Shtirberg, Lazar; Shakour, Gubrail; Blank, Aharon

2012-06-01

A new method for obtaining an NMR signal in the Earth's magnetic field (EF) is presented. The method makes use of a simple pulse sequence with only DC fields which is much less demanding than previous approaches in terms of the pulses' rise and fall times. Furthermore, it offers the possibility of obtaining NMR data with enough spectral resolution to allow retrieving high resolution molecular chemical shift (CS) information - a capability that was not considered possible in EF NMR until now. Details of the pulse sequence, the experimental system, and our specially tailored EF NMR probe are provided. The experimental results demonstrate the capability to differentiate between three types of samples made of common fluorine compounds, based on their CS data. Copyright © 2012 Elsevier Inc. All rights reserved.

Solvent and structural effects on the spectral shifts of 5-(substituted phenylazo)-3-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-pyridones

NASA Astrophysics Data System (ADS)

Mirković, Jelena M.; Božić, Bojan Đ.; Mutavdžić, Dragosav R.; Ušćumlić, Gordana S.; Mijin, Dušan Ž.

2014-11-01

Spectral properties, solvatochromism and azo-hydrazone tautomerism of ten 5-(substituted phenylazo)-3-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-pyridones in twenty-two solvents are investigated. For quantitative evaluation of the solvent effects on the UV-vis absorption maxima, the principles of the linear solvation energy relationships are used, i.e. models proposed by Kamlet-Taft and Catalán. Linear free energy relationships are applied to the UV-vis absorption spectra and correlation of absorption frequencies with Hammett substituent constants are performed. Furthermore, the influence of the electronic nature of the substituents on 1H and 13C NMR shifts is investigated by simple and extended Hammett equations, as well as by Swain-Lupton equation.

Collisional Broadening and Shift of D1 and D2 Spectral Lines in Atomic Alkali Vapor - Noble Gas Systems

DTIC Science & Technology

2013-03-01

12 curve fit to the 2Σ1 2� − 2Σ1 2� difference potential Table 2.2a: Lennard - Jones parameters for Rubidium + Helium lines. Difference...Table Page Table 2.2a. Lennard - Jones parameters for Rubidium + Helium lines 22 Table 2.2b. Line broadening and shift parameters for Rb + He lines...all nine M + Ng pairs, using Lennard - Jones (6-12) potentials in Anderson- Talman 25 Table 2.2e. Broadening and shift coefficients (in MHz/torr

Analytical methods to determine the comparative DNA binding studies of curcumin-Cu(II) complexes

NASA Astrophysics Data System (ADS)

Rajesh, Jegathalaprathaban; Rajasekaran, Marichamy; Rajagopal, Gurusamy; Athappan, Periakaruppan

2012-11-01

DNA interaction studies of two mononuclear [1:1(1); 1:2(2)] copper(II) complexes of curcumin have been studied. The interaction of these complexes with CT-DNA has been explored by physical methods to propose modes of DNA binding of the complexes. Absorption spectral titrations of complex 1 with CT-DNA shows a red-shift of 3 nm with the DNA binding affinity of Kb, 5.21 × 104 M-1 that are higher than that obtained for 2 (red-shift, 2 nm; Kb, 1.73 × 104 M-1) reveal that the binding occurs in grooves as a result of the interaction is via exterior phosphates. The CD spectra of these Cu(II) complexes show a red shift of 3-10 nm in the positive band with increase in intensities. This spectral change of induced CD due to the hydrophobic interaction of copper complexes with DNA is the characteristic of B to A conformational change. The EB displacement assay also reveals the same trend as observed in UV-Vis spectral titration. The addition of complexes 1 and 2 to the DNA bound ethidium bromide (EB) solutions causes an obvious reduction in emission intensities indicating that these complexes competitively bind to DNA with EB. The positive shift of both the Epc and E0' accompanied by reduction of peak currents in differential pulse voltammogram (DPV), upon adding different concentrations of DNA to the metal complexes, are obviously in favor of strong binding to DNA. The super coiled plasmid pUC18 DNA cleavage ability of Cu(II) complexes in the presence of reducing agent reveals the single strand DNA cleavage (ssDNA) is observed. The hydroxyl radical (HOrad ) and the singlet oxygen are believed to be the reactive species responsible for the cleavage.

Semiclassical approach to atomic decoherence by gravitational waves

NASA Astrophysics Data System (ADS)

Quiñones, D. A.; Varcoe, B. T. H.

2018-01-01

A new heuristic model of interaction of an atomic system with a gravitational wave (GW) is proposed. In it, the GW alters the local electromagnetic field of the atomic nucleus, as perceived by the electron, changing the state of the system. The spectral decomposition of the wave function is calculated, from which the energy is obtained. The results suggest a shift in the difference of the atomic energy levels, which will induce a small detuning to a resonant transition. The detuning increases with the quantum numbers of the levels, making the effect more prominent for Rydberg states. We performed calculations on the Rabi oscillations of atomic transitions, estimating how they would vary as a result of the proposed effect.

Photolytic separation of isotopes in cryogenic solution

DOEpatents

Freund, S.M.; Maier, W.B. II; Holland, R.F.; Battie, W.H.

Separation of carbon isotopes by photolysis of CS/sub 2/ in cryogenic solutions of nitrogen, krypton and argon with 206 nm light from an iodine resonance lamp is reported. The spectral distributionn of the ultraviolet absorption depends on solvent. Thus, in liquid nitrogen the photolytic decomposition rate of /sup 13/CS/sub 2/ is greater than that of /sup 12/CS/sub 2/ (because the absorption of 206 nm radiation is greater for /sup 13/CS/sub 2/), whereas in liquid krypton and liquid argon the reverse is true. The shift in ultraviolet spectrum is a general phenomenon readily characterized as a function of solvent polarizability, and exhibits behavior similar to that for vibrational transitions occurring in the infrared.

Photolytic separation of isotopes in cryogenic solution

DOEpatents

Freund, Samuel M.; Maier, II, William B.; Holland, Redus F.; Beattie, Willard H.

1985-01-01

Separation of carbon isotopes by photolysis of CS.sub.2 in cryogenic solutions of nitrogen, krypton and argon with 206 nm light from an iodine resonance lamp is reported. The spectral distribution of the ultraviolet absorption depends on solvent. Thus, in liquid nitrogen the photolytic decomposition rate of .sup.13 CS.sub.2 is greater than that of .sup.12 CS.sub.2 (because the absorption of 206 nm radiation is greater for .sup.13 CS.sub.2), whereas in liquid krypton and liquid argon the reverse is true. The shift in ultraviolet spectrum is a general phenomenon readily characterized as a function of solvent polarizability, and exhibits behavior similar to that for vibrational transitions occurring in the infrared.

Design criteria for noncoherent Gaussian channels with MFSK signaling and coding

NASA Technical Reports Server (NTRS)

Butman, S. A.; Levitt, B. K.; Bar-David, I.; Lyon, R. F.; Klass, M. J.

1976-01-01

This paper presents data and criteria to assess and guide the design of modems for coded noncoherent communication systems subject to practical system constraints of power, bandwidth, noise spectral density, coherence time, and number of orthogonal signals M. Three basic receiver types are analyzed for the noncoherent multifrequency-shift keying (MFSK) additive white Gaussian noise channel: hard decision, unquantized (optimum), and quantized (soft decision). Channel capacity and computational cutoff rate are computed for each type and presented as functions of the predetection signal-to-noise ratio and the number of orthogonal signals. This relates the channel constraints of power, bandwidth, coherence time, and noise power to the optimum choice of signal duration and signal number.

The application of ATR-FTIR spectroscopy and multivariate data analysis to study drug crystallisation in the stratum corneum.

PubMed

Goh, Choon Fu; Craig, Duncan Q M; Hadgraft, Jonathan; Lane, Majella E

2017-02-01

Drug permeation through the intercellular lipids, which pack around and between corneocytes, may be enhanced by increasing the thermodynamic activity of the active in a formulation. However, this may also result in unwanted drug crystallisation on and in the skin. In this work, we explore the combination of ATR-FTIR spectroscopy and multivariate data analysis to study drug crystallisation in the skin. Ex vivo permeation studies of saturated solutions of diclofenac sodium (DF Na) in two vehicles, propylene glycol (PG) and dimethyl sulphoxide (DMSO), were carried out in porcine ear skin. Tape stripping and ATR-FTIR spectroscopy were conducted simultaneously to collect spectral data as a function of skin depth. Multivariate data analysis was applied to visualise and categorise the spectral data in the region of interest (1700-1500cm -1 ) containing the carboxylate (COO - ) asymmetric stretching vibrations of DF Na. Spectral data showed the redshifts of the COO - asymmetric stretching vibrations for DF Na in the solution compared with solid drug. Similar shifts were evident following application of saturated solutions of DF Na to porcine skin samples. Multivariate data analysis categorised the spectral data based on the spectral differences and drug crystallisation was found to be confined to the upper layers of the skin. This proof-of-concept study highlights the utility of ATR-FTIR spectroscopy in combination with multivariate data analysis as a simple and rapid approach in the investigation of drug deposition in the skin. The approach described here will be extended to the study of other actives for topical application to the skin. Copyright © 2016 Elsevier B.V. All rights reserved.

Photoluminescence spectroscopy and the effective mass theory of strained (In,Ga)As/GaAs heterostructures grown on (112)B GaAs substrates

NASA Technical Reports Server (NTRS)

Henderson, R. H.; Sun, D.; Towe, E.

1995-01-01

The photoluminescence characteristics of pseudomorphic In(0.19)Ga(0.81)As/GaAs quantum well structures grown on both the conventional (001) and the unconventional (112)B GaAs substrate are investigated. It is found that the emission spectra of the structures grown on the (112)B surface exhibit some spectral characteristics not observed on similar structures grown on the (001) surface. A spectral blue shift of the e yields hh1 transition with increasing optical pump intensity is observed for the quantum wells on the (112) surface. This shift is interpreted to be evidence of a strain-induced piezoelectric field. A second spectral feature located within the band gap of the In(0.19)Ga(0.81)As layer is also observed for the (112) structure; this feature is thought to be an impurity-related emission. The expected transition energies of the quantum well structures are calculated using the effective mass theory based on the 4 x 4 Luttinger valence band Hamiltonian, and related strain Hamiltonian.

Low-level luminescence as a method of detecting the UV influence on biological systems

NASA Astrophysics Data System (ADS)

Mei, Wei-Ping; Popp, Fritz A.

1995-02-01

It is well known that low-level luminescence is correlated to many physiological and biological parameters, e.g. cell cycle, temperature, oxidation- and UV-stress. We report some new approaches on low-level luminescence measurements and UV influence on different biological systems. One example concerns yeast cultures, which show an increasing intensity of luminescence after UV-treatment with a maximum after 1.5 h. Investigations on normal human fibroblasts and keratinocytes display different longtime kinetics: The former show no changes of the luminescence in time, the latter an increase that reaches the maximum after 9 h. The time-dependent spectral measurement on xeroderma pigmentosum after UV-treatment displays a time-shift of the action-spectra shifting the maximum from 400 nm to 420 nm in 12 h. Some results on neutrophils reveals spectral UV influence on respiratory burst and the cellular repair system. The results on human skin display spectral changes of low-level luminescence after UV-treatment. These results provide a useful tool of analyzing UV influence on human skin.

Sonoluminescence and acoustic cavitation

NASA Astrophysics Data System (ADS)

Choi, Pak-Kon

2017-07-01

Sonoluminescence (SL) is light emission under high-temperature and high-pressure conditions of a cavitating bubble under intense ultrasound in liquid. In this review, the fundamentals of the interactions between the sound field and the bubble, and between bubbles are explained. Experimental results on high-speed shadowgraphy of bubble dynamics and multibubble SL are shown, demonstrating that the SL intensity is closely related to the bubble dynamics. SL studies of alkali-metal atom (Na and K) emission are summarized. The spectral measurements in solutions with different noble-gas dissolutions and in surfactant solutions, and the results of spatiotemporal separation of SL distribution strongly suggested that the site of alkali-metal atom emission is the gas phase inside bubbles. The spectral studies indicated that alkali-metal atom lines are composed of two kinds of lines: a component that is broadened and shifted from the original D lines arises from van der Waals molecules formed between alkali-metal atoms and noble-gas atoms under extreme conditions at bubble collapse. The other spectral component exhibiting no broadening and no shift was suggested to originate from higher temperature bubbles than those producing the broadened component.

A proposed mechanism for rapid adaptation to spectrally distorted speech.

PubMed

Azadpour, Mahan; Balaban, Evan

2015-07-01

The mechanisms underlying perceptual adaptation to severely spectrally-distorted speech were studied by training participants to comprehend spectrally-rotated speech, which is obtained by inverting the speech spectrum. Spectral-rotation produces severe distortion confined to the spectral domain while preserving temporal trajectories. During five 1-hour training sessions, pairs of participants attempted to extract spoken messages from the spectrally-rotated speech of their training partner. Data on training-induced changes in comprehension of spectrally-rotated sentences and identification/discrimination of spectrally-rotated phonemes were used to evaluate the plausibility of three different classes of underlying perceptual mechanisms: (1) phonemic remapping (the formation of new phonemic categories that specifically incorporate spectrally-rotated acoustic information); (2) experience-dependent generation of a perceptual "inverse-transform" that compensates for spectral-rotation; and (3) changes in cue weighting (the identification of sets of acoustic cues least affected by spectral-rotation, followed by a rapid shift in perceptual emphasis to favour those cues, combined with the recruitment of the same type of "perceptual filling-in" mechanisms used to disambiguate speech-in-noise). Results exclusively support the third mechanism, which is the only one predicting that learning would specifically target temporally-dynamic cues that were transmitting phonetic information most stably in spite of spectral-distortion. No support was found for phonemic remapping or for inverse-transform generation.

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

NASA Astrophysics Data System (ADS)

Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil

2011-07-01

The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.

Sensitivity study on the spectral calibration of a hyper-spectral imaging spectrometer for the GEO-KOMPSAT2

NASA Astrophysics Data System (ADS)

Kang, M.; Ahn, M.

2013-12-01

The next generation of geostationary earth observing satellite program of Korea (GEO-KOMPSAT-2A&B) is under development. While the GEO-KOMPSAT-2A is dedicated for the operational weather mission and planed to be launched in 2017, the second one will have ocean and environmental mission with planed launch of 2018. For the environmental mission, a hyperspectral spectrometer named the Global Environment Measuring Spectrometer (GEMS) designed to monitor the important trace gases such as O3, SO2, NO2, HCHO and aerosols which affect directly and indirectly the air quality will be onboard the second satellite with a ocean color imager. Based on the preliminary design concept, the GEMS instrument utilizes a reflecting telescope with the Offner spectrometer which uses the grating and 2D CCD (1 for spatial and another for spectral). Due to the nature of instrumentations, there is always possibility of wavelength shift and squeeze at the measured raw radiance from the CCD. Thus, it is important to have a proper algorithm for the accurate spectral calibration. Currently, we plan to have a two-step process for an accurate spectral calibration. First step is done by the application of spectral calibration process provided by instrument manufacturer which will be applied to whole observation wavelength band. The second step which will be applied for each wavelength bands used for the retrieval will be using the high resolution solar spectrum for the reference spectrum used for fitting the measured radiances and irradiances. For the application of second step, there are several important pre-requisite information which could be obtained through the ground test of the instrument or through the actual measurement data or through assumptions. Here we investigate the sensitivity of the spectral calibration accuracy to the important parameters such as the spectral response function of each band, band width, undersampling correction, and so on, The simulated sensitivity tests will be applied to the real hyperspectral data such as from OMI, OMPS, etc.

In Situ Detection of Strong Langmuir Turbulence Processes in Solar Type III Radio Bursts

NASA Technical Reports Server (NTRS)

Golla, Thejappa; Macdowall, Robert J.; Bergamo, M.

2012-01-01

The high time resolution observations obtained by the WAVES experiment of the STEREO spacecraft in solar type III radio bursts show that Langmuir waves often occur as intense localized wave packets. These wave packets are characterized by short durations of only a few ms and peak intensities, which well exceed the supersonic modulational instability (MI) thresholds. These timescales and peak intensities satisfy the criterion of the solitons collapsed to spatial scales of a few hundred Debye lengths. The spectra of these wave packets consist of primary spectral peaks corresponding to beam-resonant Langmuir waves, two or more sidebands corresponding to down-shifted and up-shifted daughter Langmuir waves, and low frequency enhancements below a few hundred Hz corresponding to daughter ion sound waves. The frequencies and wave numbers of these spectral components satisfy the resonance conditions of the modulational instability (MI). Moreover, the tricoherences, computed using trispectral analysis techniques show that these spectral components are coupled to each other with a high degree of coherency as expected of the MI type of four wave interactions. The high intensities, short scale lengths, sideband spectral structures and low frequency spectral enhancements and, high levels of tricoherences amongst the spectral components of these wave packets provide unambiguous evidence for the supersonic MI and related strong turbulence processes in type III radio bursts. The implication of these observations include: (1) the MI and related strong turbulence processes often occur in type III source regions, (2) the strong turbulence processes probably play very important roles in beam stabilization as well as conversion of Langmuir waves into escaping radiation at the fundamental and second harmonic of the electron plasma frequency, fpe, and (3) the Langmuir collapse probably follows the route of MI in type III radio bursts.

Shining Light on Benthic Macroalgae: Mechanisms of Complementarity in Layered Macroalgal Assemblages

PubMed Central

Tait, Leigh W.; Hawes, Ian; Schiel, David R.

2014-01-01

Phototrophs underpin most ecosystem processes, but to do this they need sufficient light. This critical resource, however, is compromised along many marine shores by increased loads of sediments and nutrients from degraded inland habitats. Increased attenuation of total irradiance within coastal water columns due to turbidity is known to reduce species' depth limits and affect the taxonomic structure and architecture of algal-dominated assemblages, but virtually no attention has been paid to the potential for changes in spectral quality of light energy to impact production dynamics. Pioneering studies over 70 years ago showed how different pigmentation of red, green and brown algae affected absorption spectra, action spectra, and photosynthetic efficiency across the PAR (photosynthetically active radiation) spectrum. Little of this, however, has found its way into ecological syntheses of the impacts of optically active contaminants on coastal macroalgal communities. Here we test the ability of macroalgal assemblages composed of multiple functional groups (including representatives from the chlorophyta, rhodophyta and phaeophyta) to use the total light resource, including different light wavelengths and examine the effects of suspended sediments on the penetration and spectral quality of light in coastal waters. We show that assemblages composed of multiple functional groups are better able to use light throughout the PAR spectrum. Macroalgal assemblages with four sub-canopy species were between 50–75% more productive than assemblages with only one or two sub-canopy species. Furthermore, attenuation of the PAR spectrum showed both a loss of quanta and a shift in spectral distribution with depth across coastal waters of different clarity, with consequences to productivity dynamics of diverse layered assemblages. The processes of light complementarity may help provide a mechanistic understanding of how altered turbidity affects macroalgal assemblages in coastal waters, which are increasingly threatened by diminishing light quantity and altered spectral distributions through sedimentation and eutrophication. PMID:25438045

Adapting Raman Spectra from Laboratory Spectrometers to Portable Detection Libraries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weatherall, James; Barber, Jeffrey B.; Brauer, Carolyn S.

2013-02-01

Raman spectral data collected with high-resolution laboratory spectrometers are processed into a for- mat suitable for importing as a user library on a 1064nm DeltaNu rst generation, eld-deployable spectrometer prototype. The two laboratory systems used are a 1064nm Bruker spectrometer and a 785nm Kaiser spectrometer. The steps taken to compensate for device-dependent spectral resolution, wavenumber shifts between instruments, and wavenumber sensitivity variation are described.

Spread-Spectrum Carrier Estimation With Unknown Doppler Shift

NASA Technical Reports Server (NTRS)

DeLeon, Phillip L.; Scaife, Bradley J.

1998-01-01

We present a method for the frequency estimation of a BPSK modulated, spread-spectrum carrier with unknown Doppler shift. The approach relies on a classic periodogram in conjunction with a spectral matched filter. Simulation results indicate accurate carrier estimation with processing gains near 40. A DSP-based prototype has been implemented for real-time carrier estimation for use in New Mexico State University's proposal for NASA's Demand Assignment Multiple Access service.

Mesoscopic effect of spectral modulation for the light transmitted by a SNOM tip

NASA Astrophysics Data System (ADS)

Rähn, M.; Pärs, M.; Palm, V.; Jaaniso, R.; Hizhnyakov, V.

2010-06-01

The effect of a tapered metal-coated optical fiber terminated by a sub-wavelength aperture (SWA) on the spectrum of the transmitted light is investigated experimentally. Under certain conditions a remarkable spectral modulation of the transmitted light can be observed. This effect is of a mesoscopic origin, occurring only for a certain interval of SWA diameters. One can conclude that a noticeable modulation appears when the number of the transmitted fiber modes is small but exceeds unity, thus indicating the presence of a phase shift between different modes. To discern between two possible sources of such phase shift, the fiber length dependence of the output spectrum has been studied. According to the results obtained for the used sample of 200 nm SNOM tip, the observed phase shift is mostly caused rather by the inherent modal dispersion of the multimode fiber than by the mode-dependent light slowdown in the tapered region close to SWA due to the coupling to surface plasmons of the metal coating. The SWA acts here mainly as an effective mode filter.

Nanostructures formed by cyclodextrin covered procainamide through supramolecular self assembly - Spectral and molecular modeling study

NASA Astrophysics Data System (ADS)

Rajendiran, N.; Mohandoss, T.; Sankaranarayanan, R. K.

2015-02-01

Inclusion complexation behavior of procainamide (PCA) with two cyclodextrins (α-CD and β-CD) were analyzed by absorption, fluorescence, scanning electron microscope (SEM), transmission electron microscope (TEM), Raman image, FT-IR, differential scanning colorimeter (DSC), Powder X ray diffraction (XRD) and 1H NMR. Blue shift was observed in β-CD whereas no significant spectral shift observed in α-CD. The inclusion complex formation results suggest that water molecules also present in the inside of the CD cavity. The present study revealed that the phenyl ring of the PCA drug is entrapped in the CD cavity. Cyclodextrin studies show that PCA forms 1:2 inclusion complex with α-CD and β-CD. PCA:α-CD complex form nano-sized particles (46 nm) and PCA:β-CD complex form self-assembled to micro-sized tubular structures. The shape-shifting of 2D nanosheets into 1D microtubes by simple rolling mechanism were analysed by micro-Raman and TEM images. Thermodynamic parameters (ΔH, ΔG and ΔS) of inclusion process were determined from semiempirical PM3 calculations.

Composition-dependent emission linewidth broadening in lead bromide perovskite (APbBr3, A = Cs and CH3NH3) nanoparticles.

PubMed

Ham, Sujin; Chung, Heejae; Kim, Tae-Woo; Kim, Jiwon; Kim, Dongho

2018-02-01

Lead halide perovskite nanoparticles (NPs) are attractive as they exhibit excellent color purity and have a tunable band gap, and can thus be applied in highly efficient photovoltaic and light-emitting diodes. Fundamental studies of emission linewidth broadening due to spectral shifts in perovskite NPs may suggest a way to improve their color purity. However, the carrier-induced Stark shift that causes spectral diffusion still requires investigation. In this study, we explore composition-related emission linewidth broadening by comparing CsPbBr3 and CH 3 NH 3 PbBr 3 (MAPbBr3) perovskite NPs. We find that the MAPbBr3 NPs are more sensitive to fluctuations in the local electric fields than the CsPbBr3 NPs due to an intrinsic difference in the dipole moment between the two A cations (Cs and MA), which shows a carrier-induced Stark shift. The results indicate that the compositions of perovskite NPs are closely associated with emission linewidth broadening and they also provide insights into the development of NP-based devices with high color purity.

Non-Stationarity and Power Spectral Shifts in EMG Activity Reflect Motor Unit Recruitment in Rat Diaphragm Muscle

PubMed Central

Seven, Yasin B.; Mantilla, Carlos B.; Zhan, Wen-Zhi; Sieck, Gary C.

2012-01-01

We hypothesized that diaphragm muscle (DIAm) by a shift in the EMG power spectral density (PSD) to higher frequencies reflects recruitment of more fatigable fast-twitch motor units and motor unit recruitment is reflected by EMG non-stationarity. DIAm EMG was recorded in anesthetized rats during eupnea, hypoxia-hypercapnia (10% O2-5% CO2), airway occlusion, and sneezing (maximal DIAm force). Although power in all frequency bands increased progressively across motor behaviors, PSD centroid frequency increased only during sneezing (p<0.05). The non-stationary period at the onset of EMG activity ranged from ~70 ms during airway occlusion to ~150 ms during eupnea. Within the initial non-stationary period of EMG activity 80–95% of motor units were recruited during different motor behaviors. Motor units augmented their discharge frequencies progressively beyond the non-stationary period; yet, EMG signal became stationary. In conclusion, non-stationarity of DIAm EMG reflects the period of motor unit recruitment, while a shift in the PSD towards higher frequencies reflects recruitment of more fatigable fast-twitch motor units. PMID:22986086

Photoluminescence spectral study of single cadmium selenide/zinc sulfide colloidal nanocrystals in poly(methyl methacrylate) and quantum dots molecules

NASA Astrophysics Data System (ADS)

Shen, Yaoming

Quantum dots (QDs)and Nano-crystals (NCs) have been studies for decades. Because of the nanoscale quantum confinement, delta shape like energy density states and narrowband emitters properties, they hold great promise for numerous optoelectronics and photonics applications. They could be used for tunable lasers, white LED, Nano-OLED, non-volatile memory and solar cells. They are also the most promising candidates for the quantum computing. The benefits for NCs over QDs is that NCs can be incorporated into a variety of polymers as well as thin films of bulk semiconductors. These exceptional flexibility and structural control distinguish NCs from the more traditional QD structures fabricated using epitaxial growth techniques. In my research of work, I studied the photoluminescence (PL) and absorption character of ensemble NCs incorporated in Polymethyl methacrylate (PMMA). To understand the behavior of the NCs in PMMA, it is important to measure a singe NC to avoid the inhomogenous broading of many NCs. So I particularly studied the behavior of a single NC in PMMA matrix. A microphotoluminescence setup to optically isolate a single nanocrystal is used. Random spectral shift and blinking behavior (on and off) are found. Addition to that, two color spectral shifting, is a major phenomena found in the system. Other interesting results such as PL intensity changes (decreasing or increasing with time) and quenching effect are observed and explained too. From the correlation function, we can distinguish the phonon replicas. The energy of these phonons can be calculated very accurately from the experiment result. The Huang-Rhys factors can be estimated too. Self-assembled semiconductor quantum dots (QDs), from highly strained-layer heteroepitaxy in the Stranski-Krastanow (S-K) growth mode, have been intensively studied because of the delta-function-like density of states, which is significant for optoelectronic applications. Spontaneous formation of semiconductor quantum-dot molecules (QDMs), which are clusters of a few QDs, has attracted attention as a possible implementation of future quantum devices such as quantum cellular antomata. With the advances in crystal growth techniques, the fabrication methods for nanostructures have been improved continuously. Lateral QDMs have been achieved. As a side topic, lateral QDMs have been studied and the result is presented in the last chapter.

Propagation of a finite-amplitude elastic pulse in a bar of Berea sandstone: A detailed look at the mechanisms of classical nonlinearity, hysteresis, and nonequilibrium dynamics: Nonlinear propagation of elastic pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remillieux, Marcel C.; Ulrich, T. J.; Goodman, Harvey E.

Here, we study the propagation of a finite-amplitude elastic pulse in a long thin bar of Berea sandstone. In previous work, this type of experiment has been conducted to quantify classical nonlinearity, based on the amplitude growth of the second harmonic as a function of propagation distance. To greatly expand on that early work, a non-contact scanning 3D laser Doppler vibrometer was used to track the evolution of the axial component of the particle velocity over the entire surface of the bar as functions of the propagation distance and source amplitude. With these new measurements, the combined effects of classicalmore » nonlinearity, hysteresis, and nonequilibrium dynamics have all been measured simultaneously. We then show that the numerical resolution of the 1D wave equation with terms for classical nonlinearity and attenuation accurately captures the spectral features of the waves up to the second harmonic. But, for higher harmonics the spectral content is shown to be strongly influenced by hysteresis. This work also shows data which not only quantifies classical nonlinearity but also the nonequilibrium dynamics based on the relative change in the arrival time of the elastic pulse as a function of strain and distance from the source. Finally, a comparison is made to a resonant bar measurement, a reference experiment used to quantify nonequilibrium dynamics, based on the relative shift of the resonance frequencies as a function of the maximum dynamic strain in the sample.« less

Propagation of a finite-amplitude elastic pulse in a bar of Berea sandstone: A detailed look at the mechanisms of classical nonlinearity, hysteresis, and nonequilibrium dynamics: Nonlinear propagation of elastic pulse

DOE PAGES

Remillieux, Marcel C.; Ulrich, T. J.; Goodman, Harvey E.; ...

2017-10-18

Here, we study the propagation of a finite-amplitude elastic pulse in a long thin bar of Berea sandstone. In previous work, this type of experiment has been conducted to quantify classical nonlinearity, based on the amplitude growth of the second harmonic as a function of propagation distance. To greatly expand on that early work, a non-contact scanning 3D laser Doppler vibrometer was used to track the evolution of the axial component of the particle velocity over the entire surface of the bar as functions of the propagation distance and source amplitude. With these new measurements, the combined effects of classicalmore » nonlinearity, hysteresis, and nonequilibrium dynamics have all been measured simultaneously. We then show that the numerical resolution of the 1D wave equation with terms for classical nonlinearity and attenuation accurately captures the spectral features of the waves up to the second harmonic. But, for higher harmonics the spectral content is shown to be strongly influenced by hysteresis. This work also shows data which not only quantifies classical nonlinearity but also the nonequilibrium dynamics based on the relative change in the arrival time of the elastic pulse as a function of strain and distance from the source. Finally, a comparison is made to a resonant bar measurement, a reference experiment used to quantify nonequilibrium dynamics, based on the relative shift of the resonance frequencies as a function of the maximum dynamic strain in the sample.« less

Potential shifts in dominant forest cover in interior Alaska driven by variations in fire severity

USGS Publications Warehouse

Barrett, K.; McGuire, A. David; Hoy, E.E.; Kasischke, E.S.

2011-01-01

Large fire years in which >1% of the landscape burns are becoming more frequent in the Alaskan (USA) interior, with four large fire years in the past 10 years, and 79 000 km2 (17% of the region) burned since 2000. We modeled fire severity conditions for the entire area burned in large fires during a large fire year (2004) to determine the factors that are most important in estimating severity and to identify areas affected by deep‐burning fires. In addition to standard methods of assessing severity using spectral information, we incorporated information regarding topography, spatial pattern of burning, and instantaneous characteristics such as fire weather and fire radiative power. Ensemble techniques using regression trees as a base learner were able to determine fire severity successfully using spectral data in concert with other relevant geospatial data. This method was successful in estimating average conditions, but it underestimated the range of severity.This new approach was used to identify black spruce stands that experienced intermediate‐ to high‐severity fires in 2004 and are therefore susceptible to a shift in regrowth toward deciduous dominance or mixed dominance. Based on the output of the severity model, we estimate that 39% (∼4000 km2) of all burned black spruce stands in 2004 had <10 cm of residual organic layer and may be susceptible a postfire shift in plant functional type dominance, as well as permafrost loss. If the fraction of area susceptible to deciduous regeneration is constant for large fire years, the effect of such years in the most recent decade has been to reduce black spruce stands by 4.2% and to increase areas dominated or co‐dominated by deciduous forest stands by 20%. Such disturbance‐driven modifications have the potential to affect the carbon cycle and climate system at regional to global scales.

Potential shifts in dominant forest cover in interior Alaska driven by variations in fire severity.

PubMed

Barrett, K; McGuire, A D; Hoy, E E; Kasischke, E S

2011-10-01

Large fire years in which >1% of the landscape burns are becoming more frequent in the Alaskan (USA) interior, with four large fire years in the past 10 years, and 79 000 km2 (17% of the region) burned since 2000. We modeled fire severity conditions for the entire area burned in large fires during a large fire year (2004) to determine the factors that are most important in estimating severity and to identify areas affected by deep-burning fires. In addition to standard methods of assessing severity using spectral information, we incorporated information regarding topography, spatial pattern of burning, and instantaneous characteristics such as fire weather and fire radiative power. Ensemble techniques using regression trees as a base learner were able to determine fire severity successfully using spectral data in concert with other relevant geospatial data. This method was successful in estimating average conditions, but it underestimated the range of severity. This new approach was used to identify black spruce stands that experienced intermediate- to high-severity fires in 2004 and are therefore susceptible to a shift in regrowth toward deciduous dominance or mixed dominance. Based on the output of the severity model, we estimate that 39% (approximately 4000 km2) of all burned black spruce stands in 2004 had <10 cm of residual organic layer and may be susceptible a postfire shift in plant functional type dominance, as well as permafrost loss. If the fraction of area susceptible to deciduous regeneration is constant for large fire years, the effect of such years in the most recent decade has been to reduce black spruce stands by 4.2% and to increase areas dominated or co-dominated by deciduous forest stands by 20%. Such disturbance-driven modifications have the potential to affect the carbon cycle and climate system at regional to global scales.

Time-frequency analysis of electric motors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bentley, C.L.; Dunn, M.E.; Mattingly, J.K.

1995-12-31

Physical signals such as the current of an electric motor become nonstationary as a consequence of degraded operation and broken parts. In this instance, their power spectral densities become time dependent, and time-frequency analysis techniques become the appropriate tools for signal analysis. The first among these techniques, generally called the short-time Fourier transform (STFT) method, is the Gabor transform 2 (GT) of a signal S(t), which decomposes the signal into time-local frequency modes: where the window function, {Phi}(t-{tau}), is a normalized Gaussian. Alternatively, one can decompose the signal into its multi-resolution representation at different levels of magnification. This representation ismore » achieved by the continuous wavelet transform (CWT) where the function g(t) is a kernel of zero average belonging to a family of scaled and shifted wavelet kernels. The CWT can be interpreted as the action of a microscope that locates the signal by the shift parameter b and adjusts its magnification by changing the scale parameter a. The Fourier-transformed CWT, W,{sub g}(a, {omega}), acts as a filter that places the high-frequency content of a signal into the lower end of the scale spectrum and vice versa for the low frequencies. Signals from a motor in three different states were analyzed.« less

IR spectroscopy of water vapor confined in nanoporous silica aerogel.

PubMed

Ponomarev, Yu N; Petrova, T M; Solodov, A M; Solodov, A A

2010-12-06

The absorption spectrum of the water vapor, confined in the nanoporous silica aerogel, was measured within 5000-5600 cm(-1) with the IFS 125 HR Fourier spectrometer. It has been shown, that tight confinement of the molecules by the nanoporous size leads to the strong lines broadening and shift. For water vapor lines, the HWHM of confined molecules are on the average 23 times larger than those for free molecules. The shift values are in the range from -0.03 cm(-1) to 0.09 cm(-1). Some spectral lines have negative shift. The data on the half-widths and center shifts for some strongest H(2)O lines have been presented.

DFT-assisted spectroscopic characterization of pyrazosulfuron-ethyl: FT-Raman, FTIR and UV-vis studies of a sulfonyl urea herbicide

NASA Astrophysics Data System (ADS)

Monicka, J. Clemy; James, C.

2014-10-01

Raman and IR spectra of pyrazosulfuron-ethyl have been reported here, and it is shown that the spectra has been fully interpreted in terms of assigning normal modes to the various spectral features by using density functional theory calculations. The Raman bands observed for PY in solid phase are characteristic for the carbonyl group, Csbnd C, Csbnd H and Nsbnd H stretching and deformation vibrations. The dimer structure of PY was optimized, including the Nsbnd H…N and Csbnd H…O intermolecular interactions. Stability of the molecule arising from hyperconjugative interactions leading to its bioactivity and charge delocalization have been analyzed using natural bond orbital analysis. Spectral analysis reveals the substantial effect of non-bonding interaction, conjugation and induction effects in the molecule which in turn influences the bioactivity of the compound. Red shifting of (∼94 cm-1) Nsbnd H stretching band substantiates the presence of strong Nsbnd H…N intramolecular hydrogen bonding in the molecule. The aromatic behavior of pyrimidine and pyrazole ring has been calculated using the HOMA method.

Water-separated ion pairs cause the slow dielectric mode of magnesium sulfate solutions

NASA Astrophysics Data System (ADS)

Mamatkulov, Shavkat I.; Rinne, Klaus F.; Buchner, Richard; Netz, Roland R.; Bonthuis, Douwe Jan

2018-06-01

We compare the dielectric spectra of aqueous MgSO4 and Na2SO4 solutions calculated from classical molecular dynamics simulations with experimental data, using an optimized thermodynamically consistent sulfate force field. Both the concentration-dependent shift of the static dielectric constant and the spectral shape match the experimental results very well for Na2SO4 solutions. For MgSO4 solutions, the simulations qualitatively reproduce the experimental observation of a slow mode, the origin of which we trace back to the ion-pair relaxation contribution via spectral decomposition. The radial distribution functions show that Mg2+ and SO42 - ions form extensive water-separated—and thus strongly dipolar—ion pairs, the orientational relaxation of which provides a simple physical explanation for the prominent slow dielectric mode in MgSO4 solutions. Remarkably, the Mg2+-SO42 - ion-pair relaxation extends all the way into the THz range, which we rationalize by the vibrational relaxation of tightly bound water-separated ion pairs. Thus, the relaxation of divalent ion pairs can give rise to widely separated orientational and vibrational spectroscopic features.

Synthesis, characterization, and sol-gel entrapment of a crown ether-styryl fluoroionophore

PubMed Central

Sui, Zhijie; Hanan, Nathan J.; Phimphivong, Sam; Wysocki, Ronald J.; Saavedra, S. Scott

2011-01-01

The synthesis and initial evaluation of a new dye-functionalized crown-ether, 2-[2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10.13.16-benzohexaoxacyclooctadecin)ethenyl]-3-methyl benzothiazolium iodide (denoted BSD), is reported. This molecule contains a benzyl 18-crown-6 moiety as the ionophore and a benzothiazolium to spectrally transduce ion binding. Binding of K+ to BSD in methanol causes shifts in the both absorbance and fluorescence emission maxima, as well as changes in the molar absorptivity and the emission intensity. Apparent dissociation constants (Kd) in the range of 30 – 65 μM were measured. In water and neutral buffer, Kd values were approximately 1 mM. BSD was entrapped in sol-gel films composed of methyltriethoxysilane (MTES) and tetraethylorthosilicate (TEOS) with retention of its spectral properties and minimal leaching. K+ binding to BSD in sol-gels films immersed in pH 7.4 buffer causes significant fluorescence quenching, with an apparent response time of approximately 2 min and an apparent Kd of 1.5 mM. PMID:19253273

Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions

NASA Astrophysics Data System (ADS)

Cocchi, Caterina; Moldt, Thomas; Gahl, Cornelius; Weinelt, Martin; Draxl, Claudia

2016-12-01

In a joint theoretical and experimental work, the optical properties of azobenzene-functionalized self-assembled monolayers (SAMs) are studied at different molecular packing densities. Our results, based on density-functional and many-body perturbation theory, as well as on differential reflectance (DR) spectroscopy, shed light on the microscopic mechanisms ruling photo-absorption in these systems. While the optical excitations are intrinsically excitonic in nature, regardless of the molecular concentration, in densely packed SAMs intermolecular coupling and local-field effects are responsible for a sizable weakening of the exciton binding strength. Through a detailed analysis of the character of the electron-hole pairs, we show that distinct excitations involved in the photo-isomerization at low molecular concentrations are dramatically broadened by intermolecular interactions. Spectral shifts in the calculated DR spectra are in good agreement with the experimental results. Our findings represent an important step forward to rationalize the excited-state properties of these complex materials.

Safe and simple detection of sparse hydrogen by Pd-Au alloy/air based 1D photonic crystal sensor

NASA Astrophysics Data System (ADS)

Mitra, S.; Biswas, T.; Chattopadhyay, R.; Ghosh, J.; Bysakh, S.; Bhadra, S. K.

2016-11-01

A simple integrated hydrogen sensor using Pd-Au alloy/air based one dimensional photonic crystal with an air defect layer is theoretically modeled. Structural parameters of the photonic crystal are delicately scaled to generate photonic band gap frequencies in a visible spectral regime. An optimized defect thickness permits a localized defect mode operating at a frequency within the photonic band gap region. Hydrogen absorption causes modification in the band gap characteristics due to variation of refractive index and lattice parameters of the alloy. As a result, the transmission peak appeared due to the resonant defect state gets shifted. This peak shifting is utilized to detect sparse amount of hydrogen present in the surrounding environment. A theoretical framework is built to calculate the refractive index profile of hydrogen loaded alloy using density functional theory and Bruggeman's effective medium approximation. The calculated refractive index variation of Pd3Au alloy film due to hydrogen loading is verified experimentally by measuring the reflectance characteristics. Lattice expansion properties of the alloy are studied through X-ray diffraction analyses. The proposed structure shows about 3 nm red shift of the transmission peak for a rise of 1% atomic hydrogen concentration in the alloy.

Constellation labeling optimization for bit-interleaved coded APSK

NASA Astrophysics Data System (ADS)

Xiang, Xingyu; Mo, Zijian; Wang, Zhonghai; Pham, Khanh; Blasch, Erik; Chen, Genshe

2016-05-01

This paper investigates the constellation and mapping optimization for amplitude phase shift keying (APSK) modulation, which is deployed in Digital Video Broadcasting Satellite - Second Generation (DVB-S2) and Digital Video Broadcasting - Satellite services to Handhelds (DVB-SH) broadcasting standards due to its merits of power and spectral efficiency together with the robustness against nonlinear distortion. The mapping optimization is performed for 32-APSK according to combined cost functions related to Euclidean distance and mutual information. A Binary switching algorithm and its modified version are used to minimize the cost function and the estimated error between the original and received data. The optimized constellation mapping is tested by combining DVB-S2 standard Low-Density Parity-Check (LDPC) codes in both Bit-Interleaved Coded Modulation (BICM) and BICM with iterative decoding (BICM-ID) systems. The simulated results validate the proposed constellation labeling optimization scheme which yields better performance against conventional 32-APSK constellation defined in DVB-S2 standard.

Protein Sectors: Statistical Coupling Analysis versus Conservation

PubMed Central

Teşileanu, Tiberiu; Colwell, Lucy J.; Leibler, Stanislas

2015-01-01

Statistical coupling analysis (SCA) is a method for analyzing multiple sequence alignments that was used to identify groups of coevolving residues termed “sectors”. The method applies spectral analysis to a matrix obtained by combining correlation information with sequence conservation. It has been asserted that the protein sectors identified by SCA are functionally significant, with different sectors controlling different biochemical properties of the protein. Here we reconsider the available experimental data and note that it involves almost exclusively proteins with a single sector. We show that in this case sequence conservation is the dominating factor in SCA, and can alone be used to make statistically equivalent functional predictions. Therefore, we suggest shifting the experimental focus to proteins for which SCA identifies several sectors. Correlations in protein alignments, which have been shown to be informative in a number of independent studies, would then be less dominated by sequence conservation. PMID:25723535

Molecular structure, vibrational spectra and DFT molecular orbital calculations (TD-DFT and NMR) of the antiproliferative drug Methotrexate

NASA Astrophysics Data System (ADS)

Ayyappan, S.; Sundaraganesan, N.; Aroulmoji, V.; Murano, E.; Sebastian, S.

2010-09-01

The FT-IR and FT-Raman spectral studies of the Methotrexate (MTX) were carried out. The equilibrium geometry, various bonding features and harmonic vibrational frequencies of MTX have been investigated with the help of B3LYP density functional theory (DFT) using 6-31G(d) as basis set. Detailed analysis of the vibrational spectra has been made with the aid of theoretically predicted vibrational frequencies. The vibrational analysis confirms the differently acting ring modes, steric repulsion, conjugation and back-donation. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) results complement with the experimental findings. The calculated HOMO and LUMO energies show that charge transfer occur within the molecule. Good correlations between the experimental 1H and 13C NMR chemical shifts in DMSO solution and calculated GIAO shielding tensors were found.

A Well-Tempered Hybrid Method for Solving Challenging Time-Dependent Density Functional Theory (TDDFT) Systems.

PubMed

Kasper, Joseph M; Williams-Young, David B; Vecharynski, Eugene; Yang, Chao; Li, Xiaosong

2018-04-10

The time-dependent Hartree-Fock (TDHF) and time-dependent density functional theory (TDDFT) equations allow one to probe electronic resonances of a system quickly and inexpensively. However, the iterative solution of the eigenvalue problem can be challenging or impossible to converge, using standard methods such as the Davidson algorithm for spectrally dense regions in the interior of the spectrum, as are common in X-ray absorption spectroscopy (XAS). More robust solvers, such as the generalized preconditioned locally harmonic residual (GPLHR) method, can alleviate this problem, but at the expense of higher average computational cost. A hybrid method is proposed which adapts to the problem in order to maximize computational performance while providing the superior convergence of GPLHR. In addition, a modification to the GPLHR algorithm is proposed to adaptively choose the shift parameter to enforce a convergence of states above a predefined energy threshold.

The Character and Variability of the Eta Carinae Wind Lines

NASA Technical Reports Server (NTRS)

Nielsen, K. E.; Corcoran, M. F.; Gull, T. R.; Ivarsson, S.; Hillier, J. D.

2006-01-01

The binarity of Eta Carinae has been debated for a long time. We have searched for more evidence for a companion star in a spectroscopic investigation of the Eta Carinae stellar wind lines, using moderate spectral and high angular resolution HST/STIS data. Over Eta Carinae's 5.54 year spectroscopic period many of the observable wind lines in the NUV/Optical spectral region exhibit peculiar line profiles with unusual velocity shifts relative to the system velocity. Some of the lines are exclusively blue-shifted over the entire cycle. Their ionization/excitation imply formation not in the stellar wind but rather in the interface between the two massive stars. We have analyzed velocity and intensity variations over the spectroscopic period and interpreted what the variations tell us about the geometry of the nebular structure close to Eta Carinae.

Geometric phase and o -mode blueshift in a chiral anisotropic medium inside a Fabry-Pérot cavity

NASA Astrophysics Data System (ADS)

Timofeev, Ivan V.; Gunyakov, Vladimir A.; Sutormin, Vitaly S.; Myslivets, Sergey A.; Arkhipkin, Vasily G.; Vetrov, Stepan Ya.; Lee, Wei; Zyryanov, Victor Ya.

2015-11-01

Anomalous spectral shift of transmission peaks is observed in a Fabry-Pérot cavity filled with a chiral anisotropic medium. The effective refractive index value resides out of the interval between the ordinary and the extraordinary refractive indices. The spectral shift is explained by contribution of a geometric phase. The problem is solved analytically using the approximate Jones matrix method, numerically using the accurate Berreman method, and geometrically using the generalized Mauguin-Poincaré rolling cone method. The o -mode blueshift is measured for a 4-methoxybenzylidene-4 '-n -butylaniline twisted-nematic layer inside the Fabry-Pérot cavity. The twist is electrically induced due to the homeoplanar-twisted configuration transition in an ionic-surfactant-doped liquid crystal layer. Experimental evidence confirms the validity of the theoretical model.

SUMER: Solar Ultraviolet Measurements of Emitted Radiation

NASA Technical Reports Server (NTRS)

Wilhelm, K.; Axford, W. I.; Curdt, W.; Gabriel, A. H.; Grewing, M.; Huber, M. C. E.; Jordan, M. C. E.; Lemaire, P.; Marsch, E.; Poland, A. I.

1988-01-01

The SUMER (solar ultraviolet measurements of emitted radiation) experiment is described. It will study flows, turbulent motions, waves, temperatures and densities of the plasma in the upper atmosphere of the Sun. Structures and events associated with solar magnetic activity will be observed on various spatial and temporal scales. This will contribute to the understanding of coronal heating processes and the solar wind expansion. The instrument will take images of the Sun in EUV (extreme ultra violet) light with high resolution in space, wavelength and time. The spatial resolution and spectral resolving power of the instrument are described. Spectral shifts can be determined with subpixel accuracy. The wavelength range extends from 500 to 1600 angstroms. The integration time can be as short as one second. Line profiles, shifts and broadenings are studied. Ratios of temperature and density sensitive EUV emission lines are established.

Luminescent and thermochromic properties of tellurium(IV) halide complexes with cesium

NASA Astrophysics Data System (ADS)

Sedakova, T. V.; Mirochnik, A. G.

2016-02-01

The spectral-luminescent and thermochromic properties of complex compounds of the composition Cs2TeHal6 (Hal = Cl, Br, I) are studied. The interrelation between the geometric structure and spectral-luminescent properties is studied using the example on complex compounds of tellurium(IV) halides with cesium. The Stokes shift and the luminescence intensity of Te(IV) ions with island octahedral coordination are found to depend on the position of the A band in the luminescence excitation spectra, the diffuse reflection, and the energy of the luminescent 3 P 1 → 1 S 0 transition of the tellurium(IV) ion. The maximum luminescence intensity and the minimum Stokes shift at 77 and 300 K are observed for Cs2TeCl6. The geometrical and electronic factors responsible for luminescence intensification in Te(IV) complexes under study are analyzed.

Excited stilbene: intramolecular vibrational redistribution and solvation studied by femtosecond stimulated Raman spectroscopy.

PubMed

Weigel, A; Ernsting, N P

2010-06-17

Excited-state relaxation of cis- and trans-stilbene is traced with femtosecond stimulated Raman spectroscopy, exploiting S(n) <-- S(1) resonance conditions. For both isomers, decay in Raman intensity, shift of spectral positions, and broadening of the bands indicate intramolecular vibrational redistribution (IVR). In n-hexane this process effectively takes 0.5-0.7 ps. Analysis of the intensity decay allows us to further distinguish two phases for trans-stilbene: fast IVR within a subset of modes (approximately 0.3 ps) followed by slower equilibration over the full vibrational manifold (approximately 0.9 ps). In acetonitrile IVR completes with 0.15 ps; this acceleration may originate from symmetry breakage induced by the polar solvent. Another process, dynamic solvation by acetonitrile, is seen as spectral narrowing and characteristic band shifts of the C=C stretch and phenyl bending modes with 0.69 ps. Wavepacket motion is observed in both isomers as oscillation of low-frequency bands with their pertinent mode frequency (90 or 195 cm(-1) in trans-stilbene; 250 cm(-1) in cis-stilbene). Anharmonic coupling shows up as a modulation of high-frequency peak positions by phenyl/ethylene torsion modes of 57 and 90 cm(-1). Decay and shift of the 90 cm(-1) inverse Raman band within the first 0.3 ps suggests a gradual involvement of phenyl/ethylene torsion in relaxation. In cis- and trans-stilbene, low-frequency spectral changes are found within 0.15 ps, indicating an additional ultrafast process.

Origin of the blue shift of the CH stretching band for 2-butoxyethanol in water.

PubMed

Katsumoto, Yukiteru; Komatsu, Hiroyuki; Ohno, Keiichi

2006-07-26

The blue shift of the isolated CD stretching band of 2-butoxyethanol (C4E1), which is observed for the aqueous solution during the dilution process, has been investigated by infrared (IR) spectroscopy and quantum chemical calculations. Mono-deuterium-labeled C4E1's were employed to remove the severe overlapping among the CH stretching bands. The isolated CD stretching mode of the alpha-methylene in the butoxy group shows a large blue shift, while those of the beta-methylene and methyl groups are not largely shifted. The spectral simulation results for the C4E1/H2O complexes indicate that the large blue shift of the CD stretching band of the butoxy group arises mainly from the hydration of the ether oxygen atom.

SYNTHETIC HYDROGEN SPECTRA OF OSCILLATING PROMINENCE SLABS IMMERSED IN THE SOLAR CORONA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zapiór, M.; Heinzel, P.; Oliver, R.

We study the behavior of H α and H β spectral lines and their spectral indicators in an oscillating solar prominence slab surrounded by the solar corona, using an MHD model combined with a 1D radiative transfer code taken in the line of sight perpendicular to the slab. We calculate the time variation of the Doppler shift, half-width, and maximum intensity of the H α and H β spectral lines for different modes of oscillation. We find a non-sinusoidal time dependence of some spectral parameters with time. Because H α and H β spectral indicators have different behavior for differentmore » modes, caused by differing optical depths of formation and different plasma parameter variations in time and along the slab, they may be used for prominence seismology, especially to derive the internal velocity field in prominences.« less

Module for multiphoton high-resolution hyperspectral imaging and spectroscopy

NASA Astrophysics Data System (ADS)

Zeytunyan, Aram; Baldacchini, Tommaso; Zadoyan, Ruben

2018-02-01

We developed a module for dual-output, dual-wavelength lasers that facilitates multiphoton imaging and spectroscopy experiments and enables hyperspectral imaging with spectral resolution up to 5 cm-1. High spectral resolution is achieved by employing spectral focusing. Specifically, two sets of grating pairs are used to control the chirps in each laser beam. In contrast with the approach that uses fixed-length glass rods, grating pairs allow matching the spectral resolution and the linewidths of the Raman lines of interest. To demonstrate the performance of the module, we report the results of spectral focusing CARS and SRS microscopy experiments for various test samples and Raman shifts. The developed module can be used for a variety of multimodal imaging and spectroscopy applications, such as single- and multi-color two-photon fluorescence, second harmonic generation, third harmonic generation, pump-probe, transient absorption, and others.

Spectral response modification of TiO₂ MSM photodetector with an LSPR filter.

PubMed

Calışkan, Deniz; Bütün, Bayram; Ozcan, Sadan; Ozbay, Ekmel

2014-06-16

We fabricated UVB filtered TiO₂ MSM photodetectors by the localized surface plasmon resonance effect. A plasmonic filter structure was designed using FDTD simulations. Final filter structure was fabricated with Al nano-cylinders with a 70 nm radius 180 nm period on 360 nm SiO₂film. The spectral response of the TiO₂ MSM photodetector was modified and the UVB response was reduced by approx. 60% with an LSPR structure, resulting in a peak responsivity shift of more than 40 nm. To our knowledge, this is the first published result for the spectral response modification of TiO₂ photodetectors with LSPR technique.

Field and airborne spectral characterization of suspected damage in red spruce (picea rubens) from Vermont

NASA Technical Reports Server (NTRS)

Rock, B. N.; Vogelmann, J. E.; Williams, D. L.

1985-01-01

The utilization of remote sensing to monitor forest damage due to acid deposition is investigated. Spectral and water measurements and aircraft radiance data of red spruce and balsam fir, collected in Camels Hump Mountain and Ripton, Vermont between August 13-20, 1984, are analyzed to evaluate the damage levels of the trees. Variations in reflectance features and canopy moisture content are studied. It is observed that damage correlates with elevation (greater damage at higher elevations); xylem water column tension is greater at higher damage sites; and a 'blue shift' is indicated in the spectral data at high damage sites.

Wavelength dependence of the Brillouin spectral width of boron doped germanosilicate optical fibers.

PubMed

Law, Pi-Cheng; Dragic, Peter D

2010-08-30

Boron co-doped germanosilicate fibers are investigated via the Brillouin light scattering technique using two wavelengths, 1534 nm and 1064 nm. Several fibers are investigated, including four drawn from the same preform but at different draw temperatures. The Stokes' shifts and the Brillouin spectral widths are found to increase with increasing fiber draw temperature. A frequency-squared law has adequately described the wavelength dependence of the Brillouin spectral width of conventional Ge-doped fibers. However, it is found that unlike conventional Ge-doped fibers these fibers do not follow the frequency-squared law. This is explained through a frequency-dependent dynamic viscosity that modifies this law.

In vivo single-shot 13C spectroscopic imaging of hyperpolarized metabolites by spatiotemporal encoding

NASA Astrophysics Data System (ADS)

Schmidt, Rita; Laustsen, Christoffer; Dumez, Jean-Nicolas; Kettunen, Mikko I.; Serrao, Eva M.; Marco-Rius, Irene; Brindle, Kevin M.; Ardenkjaer-Larsen, Jan Henrik; Frydman, Lucio

2014-03-01

Hyperpolarized metabolic imaging is a growing field that has provided a new tool for analyzing metabolism, particularly in cancer. Given the short life times of the hyperpolarized signal, fast and effective spectroscopic imaging methods compatible with dynamic metabolic characterizations are necessary. Several approaches have been customized for hyperpolarized 13C MRI, including CSI with a center-out k-space encoding, EPSI, and spectrally selective pulses in combination with spiral EPI acquisitions. Recent studies have described the potential of single-shot alternatives based on spatiotemporal encoding (SPEN) principles, to derive chemical-shift images within a sub-second period. By contrast to EPSI, SPEN does not require oscillating acquisition gradients to deliver chemical-shift information: its signal encodes both spatial as well as chemical shift information, at no extra cost in experimental complexity. SPEN MRI sequences with slice-selection and arbitrary excitation pulses can also be devised, endowing SPEN with the potential to deliver single-shot multi-slice chemical shift images, with a temporal resolution required for hyperpolarized dynamic metabolic imaging. The present work demonstrates this with initial in vivo results obtained from SPEN-based imaging of pyruvate and its metabolic products, after injection of hyperpolarized [1-13C]pyruvate. Multi-slice chemical-shift images of healthy rats were obtained at 4.7 T in the region of the kidney, and 4D (2D spatial, 1D spectral, 1D temporal) data sets were obtained at 7 T from a murine lymphoma tumor model.

In vivo single-shot 13C spectroscopic imaging of hyperpolarized metabolites by spatiotemporal encoding

PubMed Central

Schmidt, Rita; Laustsen, Christoffer; Dumez, Jean-Nicolas; Kettunen, Mikko I.; Serrao, Eva M.; Marco-Rius, Irene; Brindle, Kevin M.; Ardenkjaer-Larsen, Jan Henrik; Frydman, Lucio

2016-01-01

Hyperpolarized metabolic imaging is a growing field that has provided a tool for analyzing metabolism, particularly in cancer. Given the short life times of the hyperpolarized signal, fast and effective spectroscopic imaging methods compatible with dynamic metabolic characterizations are necessary. Several approaches have been customized for hyperpolarized 13C MRI, including CSI with a center-out k-space encoding, EPSI, and spectrally selective pulses in combination with spiral EPI acquisitions. Recent studies have described the potential of single-shot alternatives based on spatiotemporal encoding (SPEN) principles, to derive chemical-shift images within a sub-second period. By contrast to EPSI, SPEN does not require oscillating acquisition gradients to deliver chemical-shift information: its signal encodes both spatial as well as chemical shift information, at no extra cost in experimental complexity. SPEN MRI sequences with slice-selection and arbitrary excitation pulses can also be devised, endowing SPEN with the potential to deliver single-shot multi-slice chemical shift images, with a temporal resolution required for hyperpolarized dynamic metabolic imaging. The present work demonstrates this with initial in vivo results obtained from SPEN-based imaging of pyruvate and its metabolic products, after injection of hyperpolarized [1-13C]pyruvate. Multi-slice chemical-shift images of healthy rats were obtained at 4.7 T in the region of the kidney, and 4D (2D spatial, 1D spectral, 1D temporal) data sets were obtained at 7 T from a murine lymphoma tumor model. PMID:24486720

Cloud Motion in the GOCI COMS Ocean Colour Data

NASA Technical Reports Server (NTRS)

Robinson, Wayne D.; Franz, Bryan A.; Mannino, Antonio; Ahn, Jae-Hyun

2016-01-01

The Geostationary Ocean Colour Imager (GOCI) instrument, on Koreas Communications, Oceans, and Meteorological Satellite (COMS), can produce a spectral artefact arising from the motion of clouds the cloud is spatially shifted and the amount of shift varies by spectral band. The length of time it takes to acquire all eight GOCI bands for a given slot (portion of a scene) is sucient to require that cloud motion be taken into account to fully mask or correct the eects of clouds in all bands. Inter-band correlations can be used to measure the amount of cloud shift, which can then be used to adjust the cloud mask so that the union of all shifted masks can act as a mask for all bands. This approach reduces the amount of masking required versus a simple expansion of the mask in all directions away from clouds. Cloud motion can also aect regions with unidentied clouds thin or fractional clouds that evade the cloud identication process yielding degraded quality in retrieved ocean colour parameters. Areas with moving and unidentied clouds require more elaborate masking algo-rithms to remove these degraded retrievals. Correction for the eects of moving fractional clouds may also be possible. The cloud shift information can be used to determine cloud motion and thus wind at the cloud levels on sub-minute timescales. The benecial and negative eects of moving clouds should be con-sidered for any ocean colour instrument design and associated data processing plans.

Retrievability of atmospheric water vapour, temperature and vertical windspeed profiles from proposed sub-millimetre instrument ORTIS.

NASA Astrophysics Data System (ADS)

Hurley, Jane; Irwin, Patrick; Teanby, Nicholas; de Kok, Remco; Calcutt, Simon; Irshad, Ranah; Ellison, Brian

2010-05-01

The sub-millimetre range of the spectrum has been exploited in the field of Earth observation by many instruments over the years and has provided a plethora of information on atmospheric chemistry and dynamics - however, this spectral range has not been fully explored in planetary science. To this end, a sub-millimetre instrument, the Orbiter Terahertz Infrared Spectrometer (ORTIS), is jointly proposed by the University of Oxford and the Rutherford Appleton Laboratory, to meet the requirements of the European Space Agency's Cosmic Visions Europa Jupiter System Mission (EJSM). ORTIS will consist of an infrared and a sub-millimetre component; however in this study only the sub-millimetre component will be explored. The sub-millimetre component of ORTIS is projected to measure a narrow band of frequencies centred at approximately 2.2 THz, with a spectral resolution varying between approximately 1 kHz and 1 MHz, and having an expected noise magnitude of 2 nW/cm2 sr cm-1. In this spectral region, there are strong water and methane emission lines at most altitudes on Jupiter. The sub-millimetre component of ORTIS is designed to measure the abundance of atmospheric water vapour and atmospheric temperature, as well as vertical windspeed profiles from Doppler-shifted emission lines, measured at high spectral resolution. This study will test to see if, in practice, these science objectives may be met from the planned design, as applied to Jupiter. In order to test the retrievability of atmospheric water vapour, temperature and windspeed with the proposed ORTIS design, it is necessary to have a set of "measurements' for which the input parameters (such as species' concentrations, atmospheric temperature, pressure - and windspeed) are known. This is accomplished by generating a set of radiative transfer simulations using radiative transfer model RadTrans in the spectral range sampled by ORTIS, whereby the atmospheric data pertaining to Jupiter have provided by Cassini-CIRS. These simulations are then convolved with the ORTIS field-of-view response function, yielding "measurements' of Jupiter as would be registered by ORTIS about which all atmospheric parameters are known. A standard optimal estimation retrieval code, the Non-Linear Optimal Estimator for Multivariate Spectral Analysis (NEMESIS), shall be used to retrieve atmospheric water vapour and temperature from such nadir "measurements' taken by ORTIS. The vertical windspeed profiles, as determined from Doppler-shifted emission lines taken at extremely high spectral resolution from limb (or near-limb, 80° emission angle) ORTIS "measurements', shall be determined using an implementation of standard optimal estimation theory. Preliminary analysis indicates that ORTIS should be able to retrieve atmospheric water vapour and temperature, as well as Doppler windspeed profiles on Jupiter to a high degree of accuracy over a large range of altitudes using single nadir or limb/near-limb measurements, respectively.

Origin of the Absorption Band of Bromophenol Blue in Acidic and Basic pH: Insight from a Combined Molecular Dynamics and TD-DFT/MM Study.

PubMed

Chattopadhyaya, M; Murugan, N Arul; Rinkevicius, Zilvinas

2016-09-15

We study the linear and nonlinear optical properties of a well-known acid-base indicator, bromophenol blue (BPB), in aqueous solution by employing static and integrated approaches. In the static approach, optical properties have been calculated using time-dependent density functional theory (TD-DFT) on the fully relaxed geometries of the neutral and different unprotonated forms of BPB. Moreover, both closed and open forms of BPB were considered. In the integrated approach, the optical properties have been computed over many snapshots extracted from molecular dynamics simulation using a hybrid time-dependent density functional theory/molecular mechanics approach. The static approach suggests closed neutral ⇒ anionic interconversion as the dominant mechanism for the red shift in the absorption spectra of BPB due to a change from acidic to basic pH. It is found by employing an integrated approach that the two interconversions, namely open neutral ⇒ anionic and open neutral ⇒ dianionic, can contribute to the pH-dependent shift in the absorption spectra of BPB. Even though both static and integrated approaches reproduce the pH-dependent red shift in the absorption spectra of BPB, the latter one is suitable to determine both the spectra and spectral broadening. Finally, the computed static first hyperpolarizability for various protonated and deprotonated forms of BPB reveals that this molecule can be used as a nonlinear optical probe for pH sensing in addition to its highly exploited use as an optical probe.

Digital staining for histopathology multispectral images by the combined application of spectral enhancement and spectral transformation.

PubMed

Bautista, Pinky A; Yagi, Yukako

2011-01-01

In this paper we introduced a digital staining method for histopathology images captured with an n-band multispectral camera. The method consisted of two major processes: enhancement of the original spectral transmittance and the transformation of the enhanced transmittance to its target spectral configuration. Enhancement is accomplished by shifting the original transmittance with the scaled difference between the original transmittance and the transmittance estimated with m dominant principal component (PC) vectors;the m-PC vectors were determined from the transmittance samples of the background image. Transformation of the enhanced transmittance to the target spectral configuration was done using an nxn transformation matrix, which was derived by applying a least square method to the enhanced and target spectral training data samples of the different tissue components. Experimental results on the digital conversion of a hematoxylin and eosin (H&E) stained multispectral image to its Masson's trichrome stained (MT) equivalent shows the viability of the method.

[Study on the Spectral Characteristics of the Narrow-Band Filter in SHS].

PubMed

Luo, Hai-yan; Shi, Hai-liang; Li, Zhi-wei; Li, Shuang; Xiong, Wei; Hong, Jin

2015-04-01

The spectral response of spatial heterodyne spectroscopy (SHS) is determined by the spectrum property of narrow-band filter. As discussed in previous studies, the symmetric heterodyned interferogram of high frequency waves modulated by SHS and lack of sample lead to spectral confusion, which is associated with the true and ghost spectra. Because of the deviation from theoretical index of narrow-band filter in the process of coating, the boarded spectral response and middle wave shift are presented, and conditions in the theoretical Littrow wavelength made the effective wavelength range of SHS reduced. According to the measured curve of filter, a new wavenumber of zero spatial frequency can be reset by tunable laser, and it is easy for SHS to improve the spectral aliasing distortion. The results show that it is utilized to the maximum extent of the effective bandwidth by adjusting the grating angle of rotation to change the Littrow wavelength of the basic frequency, and the spectral region increased to 14.9 nm from original 12.9 nm.

[A new non-contact method based on relative spectral intensity for determining junction temperature of LED].

PubMed

Qiu, Xi-Zhen; Zhang, Fang-Hui

2013-01-01

The high-power white LED was prepared based on the high thermal conductivity aluminum, blue chips and YAG phosphor. By studying the spectral of different junction temperature, we found that the radiation spectrum of white LED has a minimum at 485 nm. The radiation intensity at this wavelength and the junction temperature show a good linear relationship. The LED junction temperature was measured based on the formula of relative spectral intensity and junction temperature. The result measured by radiation intensity method was compared with the forward voltage method and spectral method. The experiment results reveal that the junction temperature measured by this method was no more than 2 degrees C compared with the forward voltage method. It maintains the accuracy of the forward voltage method and overcomes the small spectral shift of spectral method, which brings the shortcoming on the results. It also had the advantages of practical, efficient and intuitive, noncontact measurement, and non-destruction to the lamp structure.

[A Terahertz Spectral Database Based on Browser/Server Technique].

PubMed

Zhang, Zhuo-yong; Song, Yue

2015-09-01

With the solution of key scientific and technical problems and development of instrumentation, the application of terahertz technology in various fields has been paid more and more attention. Owing to the unique characteristic advantages, terahertz technology has been showing a broad future in the fields of fast, non-damaging detections, as well as many other fields. Terahertz technology combined with other complementary methods can be used to cope with many difficult practical problems which could not be solved before. One of the critical points for further development of practical terahertz detection methods depends on a good and reliable terahertz spectral database. We developed a BS (browser/server) -based terahertz spectral database recently. We designed the main structure and main functions to fulfill practical requirements. The terahertz spectral database now includes more than 240 items, and the spectral information was collected based on three sources: (1) collection and citation from some other abroad terahertz spectral databases; (2) collected from published literatures; and (3) spectral data measured in our laboratory. The present paper introduced the basic structure and fundament functions of the terahertz spectral database developed in our laboratory. One of the key functions of this THz database is calculation of optical parameters. Some optical parameters including absorption coefficient, refractive index, etc. can be calculated based on the input THz time domain spectra. The other main functions and searching methods of the browser/server-based terahertz spectral database have been discussed. The database search system can provide users convenient functions including user registration, inquiry, displaying spectral figures and molecular structures, spectral matching, etc. The THz database system provides an on-line searching function for registered users. Registered users can compare the input THz spectrum with the spectra of database, according to the obtained correlation coefficient one can perform the searching task very fast and conveniently. Our terahertz spectral database can be accessed at http://www.teralibrary.com. The proposed terahertz spectral database is based on spectral information so far, and will be improved in the future. We hope this terahertz spectral database can provide users powerful, convenient, and high efficient functions, and could promote the broader applications of terahertz technology.

High temperature sensor properties of a specialty double cladding fiber

NASA Astrophysics Data System (ADS)

Zhou, Ting; Pang, Fufei; Wang, Tingyun

2011-12-01

A simple high temperature fiber sensor is proposed and demonstrated. The sensor head is made of a short section of specialty double cladding fiber (DCF). The DCF consists of a depressed inner cladding which is boron (B)-doped silica. Through an evanescent wave, the cladding mode can be excited, and thus the transmission presents a resonant spectral dip. The high temperature sensing properties was studied according to the shift of the transmission spectrum shifts. With increasing the temperature from 28 °C to 850 °C, the resonant spectrum shifts to longer wavelengths. The sensitivity is 0.112 nm / °C.

Doppler-shifted self-reflected wave from a semiconductor

NASA Astrophysics Data System (ADS)

Schuelzgen, Alex; Hughes, S.; Peyghambarian, Nasser

1997-06-01

We report the first experimental observation of a self- reflected wave inside a very dense saturable absorber. An intense femtosecond pulse saturates the absorption and causes a density front moving into the semiconductor sample. Due to the motion of the boundary between saturated and unsaturated areas of the sample the light reflected at this boundary is red-shifted by the Doppler effect. The spectrally shifted reflection makes it possible to distinguish between surface reflection and self-reflection and is used to proof the concept of the dynamic nonlinear skin effect experimentally. Quite well agreement with model calculations is found.

Reflectionless Discrete Schrödinger Operators are Spectrally Atypical

NASA Astrophysics Data System (ADS)

VandenBoom, Tom

2017-12-01

We prove that, if an isospectral torus contains a discrete Schrödinger operator with nonconstant potential, the shift dynamics on that torus cannot be minimal. Consequently, we specify a generic sense in which finite unions of nondegenerate closed intervals having capacity one are not the spectrum of any reflectionless discrete Schrödinger operator. We also show that the only reflectionless discrete Schrödinger operators having zero, one, or two spectral gaps are periodic.

Hunting for unexpected post-translational modifications by spectral library searching with tier-wise scoring.

PubMed

Ma, Chun Wai Manson; Lam, Henry

2014-05-02

Discovering novel post-translational modifications (PTMs) to proteins and detecting specific modification sites on proteins is one of the last frontiers of proteomics. At present, hunting for post-translational modifications remains challenging in widely practiced shotgun proteomics workflows due to the typically low abundance of modified peptides and the greatly inflated search space as more potential mass shifts are considered by the search engines. Moreover, most popular search methods require that the user specifies the modification(s) for which to search; therefore, unexpected and novel PTMs will not be detected. Here a new algorithm is proposed to apply spectral library searching to the problem of open modification searches, namely, hunting for PTMs without prior knowledge of what PTMs are in the sample. The proposed tier-wise scoring method intelligently looks for unexpected PTMs by allowing mass-shifted peak matches but only when the number of matches found is deemed statistically significant. This allows the search engine to search for unexpected modifications while maintaining its ability to identify unmodified peptides effectively at the same time. The utility of the method is demonstrated using three different data sets, in which the numbers of spectrum identifications to both unmodified and modified peptides were substantially increased relative to a regular spectral library search as well as to another open modification spectral search method, pMatch.

The Atlas of Vesta Spectral Parameters derived from Dawn/VIR data

NASA Astrophysics Data System (ADS)

Frigeri, A.; De Sanctis, M. C.; Ammannito, E.; Tosi, F.; Zambon, F.; Capaccioni, F.; Capria, M. T.; Palomba, E.; Longobardo, A.; Fonte, S.; Giardino, M.; Magni, G.; Jaumann, R.; Raymond, C. A.; Russell, C. T.

2013-09-01

The Dawn mission mapped Vesta from three different orbital heights during Survey orbit (2700 km altitude), HAMO (High Altitude Mapping Orbit, 700 km altitude), and LAMO (Low Altitude Mapping Orbit, 210 km altitude) [1]. From these orbits the Dawn's Visible and Infrared Mapping Spectrometer (VIR) acquired infrared and visible spectra from 0.2 to 5 microns, sampled in 864 channels with a spatial resolution reaching about 150 m/pixel. Studies of the comparison of spectra from remote sensed data and spectra from laboratory allows to synthesize spectral parameters, which can be combined to identify specific physical and compositional states. VIR spectra of Vesta, stored in about 4300 Planetary Data System (PDS) cubes, have been analyzed to derive spectral parameters, each of which is diagnostic of the associated mineralogy on the surface of the asteroid being observed [2]. Maps of spectral parameters show terrain units compositions in their stratigraphic context. Band centers and band depths are among the most important diagnostic parameters of the mineralogy in a spectrum. In most pyroxenes and in the basaltic achondrites there is a strong correlation between the position of BI center and BII center and the associated mineralogy. For example, orthopyroxene bands shift towards longer wavelengths with increasing amounts of iron, whereas clinopyroxene bands shift towards longer wavelengths with increasing calcium content. Band depth is related to scattering effects, thus can be related to the physical state of the material.

Signal and noise level estimation for narrow spectral width returns observed by the Indian MST radar

NASA Astrophysics Data System (ADS)

Hooper, D. A.

1999-07-01

Use is made of five sets of multibeam observations of the lower atmosphere made by the Indian mesosphere-stratosphere-troposphere (MST) radar. Two aspects of signal processing which can lead to serious underestimates of the signal-to-noise ratio are considered. First, a comparison is made of the effects of different data weighting windows applied to the inphase and quadrature components of the radar return samples prior to Fourier transformation. The relatively high degree of spectral leakage associated with the rectangular and Hamming windows can give rise to overestimates of the noise levels by up to 28 dB for the strongest signals. Use of the Hanning window is found to be the most appropriate for these particular data. Second, a technique for removing systematic dc biases from the data in the time domain is compared with the more well-known practice of correction in the frequency domain. The latter technique, which is often used to remove the effects of ground clutter, is shown to be particularly inappropriate for the characteristically narrow spectral width signals observed by the Indian MST radar. For cases of near-zero Doppler shift it can remove up to 30 dB of signal information. The consequences of noise and signal level discrepancies for studies of refractivity structures are discussed. It is shown that neither problem has a significant effect on Doppler shift or spectral width estimates.

Theory and Simulation of Exoplanetary Atmospheric Haze: Giant Spectral Line Broadening

NASA Astrophysics Data System (ADS)

Sadeghpour, Hossein; Felfeli, Zineb; Kharchenko, Vasili; Babb, James; Vrinceanu, Daniel

2018-01-01

Prominent spectral features in observed transmission spectra of exoplanets are obscured. Atmospheric haze is the leading candidate for the flattening of spectral transmission of expolanetray occultation, but also for solar system planets, Earth and cometary atmospheres. Such spectra which carry information about how the planetary atmospheres become opaque to stellar light in transit, show broad absorption where strong absorption lines from sodium or potassium and water are predicted to exist. In this work, we develop a detailed atomistic theoretical model, taking into account interaction between an atomic or molecular radiator with dust and haze particulates. Our model considers a realistic structure of haze particulates from small seed particles up to sub-micron irregularly shaped aggregates. This theory of interaction between haze and radiator particles allows to consider nearly all realistic structure, size and chemical composition of haze particulates. The computed shift and broadening of emission spectra will include both quasi-static (mean field) and collisional (pressure) shift and broadening. Our spectral calculations will be verified with available laboratory experimental data on spectra of alkali atoms in liquid droplet, solid ice, dust and dense gaseous environments. The simplicity, elegance and generality of the proposed model makes it amenable to a broad community of users in astrophysics and chemistry. The verified models can be used for analysis of emission and absorption spectra of alkali atoms from exoplanets, solar system planets, satellites and comets.

Spectrally controlled interferometry for measurements of flat and spherical optics

NASA Astrophysics Data System (ADS)

Salsbury, Chase; Olszak, Artur G.

2017-10-01

Conventional interferometry is widely used to measure spherical and at surfaces with nanometer level precision but is plagued by back reflections. We describe a new method of isolating the measurement surface by controlling spectral properties of the source (Spectrally Controlled Interferometry - SCI). Using spectral modulation of the interferometer's source enables formation of localized fringes where the optical path difference is non-zero. As a consequence it becomes possible to form white-light like fringes in common path interferometers, such as the Fizeau. The proposed setup does not require mechanical phase shifting, resulting in simpler instruments and the ability to upgrade existing interferometers. Furthermore, it allows absolute measurement of distance, including radius of curvature of lenses in a single setup with possibility of improving the throughput and removing some modes of failure.

GLAST Burst Monitor Signal Processing System

NASA Astrophysics Data System (ADS)

Bhat, P. Narayana; Briggs, Michael; Connaughton, Valerie; Diehl, Roland; Fishman, Gerald; Greiner, Jochen; Kippen, R. Marc; von Kienlin, Andreas; Kouveliotou, Chryssa; Lichti, Giselher; Meegan, Charles; Paciesas, William; Persyn, Steven; Preece, Robert; Steinle, Helmut; Wilson-Hodge, Colleen

2007-07-01

The onboard Data Processing Unit (DPU), designed and built by Southwest Research Institute, performs the high-speed data acquisition for GBM. The analog signals from each of the 14 detectors are digitized by high-speed multichannel analog data acquisition architecture. The streaming digital values resulting from a periodic (period of 104.2 ns) sampling of the analog signal by the individual ADCs are fed to a Field-Programmable Gate Array (FPGA). Real-time Digital Signal Processing (DSP) algorithms within the FPGA implement functions like filtering, thresholding, time delay and pulse height measurement. The spectral data with a 12-bit resolution are formatted according to the commandable look-up-table (LUT) and then sent to the High-Speed Science-Date Bus (HSSDB, speed=1.5 MB/s) to be telemetered to ground. The DSP offers a novel feature of a commandable & constant event deadtime. The ADC non-linearities have been calibrated so that the spectral data can be corrected during analysis. The best temporal resolution is 2 μs for the pre-burst & post-trigger time-tagged events (TTE) data. The time resolution of the binned data types is commandable from 64 msec to 1.024 s for the CTIME data (8 channel spectral resolution) and 1.024 to 32.768 s for the CSPEC data (128 channel spectral resolution). The pulse pile-up effects have been studied by Monte Carlo simulations. For a typical GRB, the possible shift in the Epeak value at high-count rates (~100 kHz) is ~1% while the change in the single power-law index could be up to 5%.

Explosive Events in the Quiet Sun: Extreme Ultraviolet Imaging Spectroscopy Instrumentation and Observations

NASA Astrophysics Data System (ADS)

Rust, Thomas Ludwell

Explosive event is the name given to slit spectrograph observations of high spectroscopic velocities in solar transition region spectral lines. Explosive events show much variety that cannot yet be explained by a single theory. It is commonly believed that explosive events are powered by magnetic reconnection. The evolution of the line core appears to be an important indicator of which particular reconnection process is at work. The Multi-Order Solar Extreme Ultraviolet Spectrograph (MOSES) is a novel slitless spectrograph designed for imaging spectroscopy of solar extreme ultraviolet (EUV) spectral lines. The spectrograph design forgoes a slit and images instead at three spectral orders of a concave grating. The images are formed simultaneously so the resulting spatial and spectral information is co-temporal over the 20' x 10' instrument field of view. This is an advantage over slit spectrographs which build a field of view one narrow slit at a time. The cost of co-temporal imaging spectroscopy with the MOSES is increased data complexity relative to slit spectrograph data. The MOSES data must undergo tomographic inversion for recovery of line profiles. I use the unique data from the MOSES to study transition region explosive events in the He ii 304 A spectral line. I identify 41 examples of explosive events which include 5 blue shifted jets, 2 red shifted jets, and 10 bi-directional jets. Typical doppler speeds are approximately 100kms-1. I show the early development of one blue jet and one bi-directional jet and find no acceleration phase at the onset of the event. The bi-directional jets are interesting because they are predicted in models of Petschek reconnection in the transition region. I develop an inversion algorithm for the MOSES data and test it on synthetic observations of a bi-directional jet. The inversion is based on a multiplicative algebraic reconstruction technique (MART). The inversion successfully reproduces synthetic line profiles. I then use the inversion to study the time evolution of a bi-directional jet. The inverted line profiles show fast doppler shifted components and no measurable line core emission. The blue and red wings of the jet show increasing spatial separation with time.

Spectroscopic, thermal analysis and DFT computational studies of salen-type Schiff base complexes.

PubMed

Ebrahimi, Hossein Pasha; Hadi, Jabbar S; Abdulnabi, Zuhair A; Bolandnazar, Zeinab

2014-01-03

A new series of metal(II) complexes of Co(II), Ni(II), Cu(II), Zn(II), and Pb(II) have been synthesized from a salen-type Schiff base ligand derived from o-vanillin and 4-methyl-1,2-phenylenediamine and characterized by elemental analysis, spectral (IR, UV-Vis, (1)H NMR, (13)C NMR and EI-mass), molar conductance measurements and thermal analysis techniques. Coats-Redfern method has been utilized to calculate the kinetic and thermodynamic parameters of the metal complexes. The molecular geometry, Mulliken atomic charges of the studied compounds were investigated theoretically by performing density functional theory (DFT) to access reliable results to the experimental values. The theoretical (13)C chemical shift results of the studied compounds have been calculated at the B3LYP, PBEPBE and PW91PW91 methods and standard 6-311+G(d,p) basis set starting from optimized geometry. The comparison of the results indicates that B3LYP/6-311+G(d,p) yields good agreement with the observed chemical shifts. The measured low molar conductance values in DMF indicate that the metal complexes are non-electrolytes. The spectral and thermal analysis reveals that all complexes have octahedral geometry except Cu(II) complex which can attain the square planner arrangement. The presence of lattice and coordinated water molecules are indicated by thermograms of the complexes. The thermogravimetric (TG/DTG) analyses confirm high stability for all complexes followed by thermal decomposition in different steps. Copyright © 2013 Elsevier B.V. All rights reserved.

Temperature-tuned erbium-doped fiber ring laser with Mach-Zehnder interferometer based on two quasi-abrupt tapered fiber sections

NASA Astrophysics Data System (ADS)

Selvas-Aguilar, R.; Martínez-Rios, A.; Anzueto-Sánchez, G.; Castillo-Guzmán, A.; Hernández-Luna, M. C.; Robledo-Fava, R.

2014-10-01

We present a wavelength tuning of an Erbium-Doped Fiber Ring Laser (EDFRL) based in a Mach-Zehnder fiber interferometer (MZFI) that consists on two tapers fabricated on commercial SMF28 from Corning as an intracavity filter. The MZFI spectral interference pattern is modified by external refractive index changes that alter the light transmission characteristics. In this work, the fiber device is immersed into a glycerol solution with higher dispersion in its refractive index in relation with temperature. Since the temperature sensitiveness of the glycerol is much higher than that of the fiber in a temperature range from 25-110 °C, therefore, the spectral changes are mainly due to the dispersion of glycerol refractive index when heat increases. Also, when this device is inserted into the EDFRL cavity, the gain spectrum of the EDF is modified accordingly and the changes, which can be controlled in an electrical heater, allow the tuning of the laser wavelength determined by the interference fringes. A wavelength shift as high as 180 pm/°C and a tunable range of 12 nm are obtained. The side mode suppression ratio (SMSR) of the fiber laser is around 25-30 dB depending on the notch filtering position. The insertion losses of the filter are below 0.3 dB and the measured wavelength shift has a quasilinear dependence as a function of temperature in the 80-110 °C. This method is very simple, portable and inexpensive over traditional methods to tune a fiber laser.

Demonstration of sub-femtomole sensitivity for small molecules with microsphere ring resonator sensors

NASA Astrophysics Data System (ADS)

White, Ian M.; Oveys, Hesam; Fan, Xudong

2006-02-01

Optical microsphere resonators can function as highly sensitive bio/chemical sensors due to the large Q-factor, which leads to high light-matter interaction. The whispering gallery modes (WGM) arise at the surface of the microsphere, creating a highly enhanced optical field that interacts with matter on or near the microsphere surface. As a result, the spectral position of the WGM is extremely sensitive to refractive index changes near the surface, such as when bio/chemical molecules bind to the sphere. We show the potential feasibility of a microsphere ring resonator as a sensor for small molecules by demonstrating detection of sub-femtomole changes in SiO II molecules at the surface of the microsphere. In this experiment, the silica molecules act as an excellent model for small molecule analytes because of their 60 Dalton molecular weight, and because we know nearly the exact quantity of molecules at the surface, which enables a sensitivity characterization. We measure the spectral shifts in the WGMs when low concentrations of hydrofluoric acid (HF) are added to a solution that is being probed by the microsphere. As the HF molecules break apart the SiO II molecules at the sphere surface, the WGMs shift due to the sub-nano-scale decrease in the size of the microsphere. These calculations show that the sensitivity of this microsphere resonator is on the order of 500 attomoles. Our results will lead to the utilization of optical microspheres for detection of trace quantities of small molecules for such applications as drug discovery, environmental monitoring, and enzyme detection using peptide cleavage.

Spectral density method to Anderson-Holstein model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chebrolu, Narasimha Raju, E-mail: narasimharaju.phy@gmail.com; Chatterjee, Ashok

Two-parameter spectral density function of a magnetic impurity electron in a non-magnetic metal is calculated within the framework of the Anderson-Holstein model using the spectral density approximation method. The effect of electron-phonon interaction on the spectral function is investigated.

A multichannel smartphone optical biosensor for high-throughput point-of-care diagnostics.

PubMed

Wang, Li-Ju; Chang, Yu-Chung; Sun, Rongrong; Li, Lei

2017-01-15

Current reported smartphone spectrometers are only used to monitor or measure one sample at a time. For the first time, we demonstrate a multichannel smartphone spectrometer (MSS) as an optical biosensor that can simultaneously optical sense multiple samples. In this work, we developed a novel method to achieve the multichannel optical spectral sensing with nanometer resolution on a smartphone. A 3D printed cradle held the smartphone integrated with optical components. This optical sensor performed accurate and reliable spectral measurements by optical intensity changes at specific wavelength or optical spectral shifts. A custom smartphone multi-view App was developed to control the optical sensing parameters and to align each sample to the corresponding channel. The captured images were converted to the transmission spectra in the visible wavelength range from 400nm to 700nm with the high resolution of 0.2521nm per pixel. We validated the performance of this MSS via measuring the concentrations of protein and immunoassaying a type of human cancer biomarker. Compared to the standard laboratory instrument, the results sufficiently showed that this MSS can achieve the comparative analysis detection limits, accuracy and sensitivity. We envision that this multichannel smartphone optical biosensor will be useful in high-throughput point-of-care diagnostics with its minimizing size, light weight, low cost and data transmission function. Copyright © 2016 Elsevier B.V. All rights reserved.

Single-hole spectral function and spin-charge separation in the t-J model

NASA Astrophysics Data System (ADS)

Mishchenko, A. S.; Prokof'ev, N. V.; Svistunov, B. V.

2001-07-01

Worm algorithm Monte Carlo simulations of the hole Green function with subsequent spectral analysis were performed for 0.1<=J/t<=0.4 on lattices with up to L×L=32×32 sites at a temperature as low as T=J/40, and present, apparently, the hole spectral function in the thermodynamic limit. Spectral analysis reveals a δ-function-sharp quasiparticle peak at the lower edge of the spectrum that is incompatible with the power-law singularity and thus rules out the possibility of spin-charge separation in this parameter range. Spectral continuum features two peaks separated by a gap ~4÷5 t.

FunShift: a database of function shift analysis on protein subfamilies

PubMed Central

Abhiman, Saraswathi; Sonnhammer, Erik L. L.

2005-01-01

Members of a protein family normally have a general biochemical function in common, but frequently one or more subgroups have evolved a slightly different function, such as different substrate specificity. It is important to detect such function shifts for a more accurate functional annotation. The FunShift database described here is a compilation of function shift analysis performed between subfamilies in protein families. It consists of two main components: (i) subfamilies derived from protein domain families and (ii) pairwise subfamily comparisons analyzed for function shift. The present release, FunShift 12, was derived from Pfam 12 and consists of 151 934 subfamilies derived from 7300 families. We carried out function shift analysis by two complementary methods on families with up to 500 members. From a total of 179 210 subfamily pairs, 62 384 were predicted to be functionally shifted in 2881 families. Each subfamily pair is provided with a markup of probable functional specificity-determining sites. Tools for searching and exploring the data are provided to make this database a valuable resource for protein function annotation. Knowledge of these functionally important sites will be useful for experimental biologists performing functional mutation studies. FunShift is available at http://FunShift.cgb.ki.se. PMID:15608176

Ellipsometric characterization of MoSe2 thin layers obtained by thermal treatment of molybdenum in selenium vapor

NASA Astrophysics Data System (ADS)

Bayramov, Ayaz; Aliyeva, Yegana; Eyyubov, Gurban; Mammadov, Eldar; Jahangirli, Zakir; Lincot, Daniel; Mamedov, Nazim

2017-11-01

Submicron MoSe2 layers were prepared by thermal treatment of thick Mo layers on glass substrate in saturated selenium vapor. Spectroscopic ellipsometry was then applied to the obtained MoSe2/Mo/Glass structures and MoSe2 target sample at room temperature. Dielectric function for both the MoSe2 layer and MoSe2 target was retrieved in the spectral range 190-1700 nm by using the Kramers-Kronig consistent B-spline dispersion model. The obtained data were similar in both cases. Despite apparent red shift of the dielectric function spectra of the layer in high energy region the peculiarity at around 1 eV is manifested at the same energy for both, layer and target. Comparison of the ellipsometry-based dielectric function of the target and the one, obtained within calculated band structure of MoSe2 for room temperature lattice parameters, has shown that the former is a broadened counterpart of the latter. Above-mentioned peculiar feature is not reproduced in the calculated dielectric function and is assumed to have excitonic nature.

Radiative characteristics of a thin solid fuel at discrete levels of pyrolysis: Angular, spectral, and thermal dependencies

NASA Astrophysics Data System (ADS)

Pettegrew, Richard Dale

Numerical models of solid fuel combustion rely on accurate radiative property values to properly account for radiative heat transfer to and from the surface. The spectral properties can change significantly over the temperature range from ambient to burnout temperature. The variations of these properties are due to mass loss (as the sample pyrolyzes), chemical changes, and surface finish changes. In addition, band-integrated properties can vary due to the shift in the peak of the Planck curve as the temperature increases, which results in differing weightings of the spectral values. These effects were quantified for a thin cellulosic fuel commonly used in microgravity combustion studies (KimWipesRTM). Pyrolytic effects were simulated by heat-treating the samples in a constant temperature oven for varying times. Spectral data was acquired using a Fourier Transform Infrared (FTIR) spectrometer, along with an integrating sphere. Data was acquired at different incidence angles by mounting the samples at different angles inside the sphere. Comparisons of samples of similar area density created using different heat-treatment regimens showed that thermal history of the samples was irrelevant in virtually all spectral regions, with overall results correlating well with changes in area density. Spectral, angular, and thermal dependencies were determined for a representative data set, showing that the spectral absorptance decreases as the temperature increases, and decreases as the incidence angle varies from normal. Changes in absorptance are primarily offset by corresponding changes in transmittances, with reflectance values shown to be low over the tested spectral region of 2.50 mum to 24.93 mum. Band-integrated values were calculated as a function of temperature for the entire tested spectral region, as well as limited bands relevant for thermal imaging applications. This data was used to demonstrate the significant error that is likely if incorrect emittance values are used in heat transfer calculations. The pyrolyzed samples were also used to determine the activation energy and pre-exponential factor needed in the zeroth-order Arrhenius reaction, sometimes used to model the mass loss from the surface in numerical models. The values determined were used to calculate an estimated peak surface temperature, which agrees well with experimentally determined values.

Novel push-pull fluorescent dyes - 7-(diethylamino)furo- and thieno[3,2-c]coumarins derivatives: structure, electronic spectra and TD-DFT study

NASA Astrophysics Data System (ADS)

Akchurin, Igor O.; Yakhutina, Anna I.; Bochkov, Andrei Y.; Solovjova, Natalya P.; Medvedev, Michael G.; Traven, Valerii F.

2018-05-01

Novel push-pull fluorescent dyes - 7-(diethylamino)furo- and 7-(diethylamino)thieno[3,2-c]coumarins derivatives have been synthesized using formyl derivatives of furo- and thieno[3,2-c]coumarins as starting materials. Electron absorption and fluorescent spectra of the dyes have been recorded in different solvents. Structure and solvent effects on the dyes spectral characteristics were analyzed. The fusion of five-membered heterocycle to coumarin provides a definite increase of Stokes shifts in all solvents and results in higher quantum yields of fluorescence. The absorption and emission bands of thieno[3,2-c] coumarin derivatives are definitely shifted to the red region (3-30 nm) compared to similar derivatives of furo[3,2-c]coumarin. TD-DFT calculations of some of the studied compounds have shown that hybrid DFT functionals and adequate representation of molecular environment are essential for obtaining accurate UV-Vis absorption spectra for the dyes with extended π-system. The longest-wave electron transitions in the studied compounds were computationally shown to be of push-pull nature.

A new window towards multidimensional sensing of transition metal cations through dual mode sensing ability of N-benzyl-(3-hydoxy-2-naphthalene): Emission enhancement coupled remarkable spectral shift

NASA Astrophysics Data System (ADS)

Paul, Bijan Kumar; Mahanta, Subrata; Singh, Rupashree Balia; Guchhait, Nikhil

2011-06-01

A structurally simple Schiff base N-benzyl-(3-hydroxy-2-naphthalene) (NBHN32) has been synthesized and characterized by 1H NMR, 13C NMR, and DEPT spectroscopy. The photophysical behaviour of NBHN32 in response to the presence of various transition metal cations has been explored by means of steady-state absorption, emission and time-resolved emission spectroscopy techniques. Efficient through space intramolecular photoinduced electron transfer (PET) between the naphthalene fluorophore and the imine group has been argued for extremely low fluorescence yield of NBHN32 compared to the parent molecule 3-hydroxy-2-naphthaldehyde (HN32) containing the same fluorophore but lacking the receptor moiety. Transition metal ion-induced emission enhancement is thus addressed on the lexicon of perturbation of the PET by the metal ions. Apart from fluorescence enhancement, transition metal ion imparts remarkable shift of the emission maxima of NBHN32, which is another unique aspect on the proposed ability of NBHN32 to function as a fluorescence chemosensor.

Comparative analysis of autofocus functions in digital in-line phase-shifting holography.

PubMed

Fonseca, Elsa S R; Fiadeiro, Paulo T; Pereira, Manuela; Pinheiro, António

2016-09-20

Numerical reconstruction of digital holograms relies on a precise knowledge of the original object position. However, there are a number of relevant applications where this parameter is not known in advance and an efficient autofocusing method is required. This paper addresses the problem of finding optimal focusing methods for use in reconstruction of digital holograms of macroscopic amplitude and phase objects, using digital in-line phase-shifting holography in transmission mode. Fifteen autofocus measures, including spatial-, spectral-, and sparsity-based methods, were evaluated for both synthetic and experimental holograms. The Fresnel transform and the angular spectrum reconstruction methods were compared. Evaluation criteria included unimodality, accuracy, resolution, and computational cost. Autofocusing under angular spectrum propagation tends to perform better with respect to accuracy and unimodality criteria. Phase objects are, generally, more difficult to focus than amplitude objects. The normalized variance, the standard correlation, and the Tenenbaum gradient are the most reliable spatial-based metrics, combining computational efficiency with good accuracy and resolution. A good trade-off between focus performance and computational cost was found for the Fresnelet sparsity method.

Optimization of compressive 4D-spatio-spectral snapshot imaging

NASA Astrophysics Data System (ADS)

Zhao, Xia; Feng, Weiyi; Lin, Lihua; Su, Wu; Xu, Guoqing

2017-10-01

In this paper, a modified 3D computational reconstruction method in the compressive 4D-spectro-volumetric snapshot imaging system is proposed for better sensing spectral information of 3D objects. In the design of the imaging system, a microlens array (MLA) is used to obtain a set of multi-view elemental images (EIs) of the 3D scenes. Then, these elemental images with one dimensional spectral information and different perspectives are captured by the coded aperture snapshot spectral imager (CASSI) which can sense the spectral data cube onto a compressive 2D measurement image. Finally, the depth images of 3D objects at arbitrary depths, like a focal stack, are computed by inversely mapping the elemental images according to geometrical optics. With the spectral estimation algorithm, the spectral information of 3D objects is also reconstructed. Using a shifted translation matrix, the contrast of the reconstruction result is further enhanced. Numerical simulation results verify the performance of the proposed method. The system can obtain both 3D spatial information and spectral data on 3D objects using only one single snapshot, which is valuable in the agricultural harvesting robots and other 3D dynamic scenes.

The giant mottled eel, Anguilla marmorata, uses blue-shifted rod photoreceptors during upstream migration.

PubMed

Wang, Feng-Yu; Fu, Wen-Chun; Wang, I-Li; Yan, Hong Young; Wang, Tzi-Yuan

2014-01-01

Catadromous fishes migrate between ocean and freshwater during particular phases of their life cycle. The dramatic environmental changes shape their physiological features, e.g. visual sensitivity, olfactory ability, and salinity tolerance. Anguilla marmorata, a catadromous eel, migrates upstream on dark nights, following the lunar cycle. Such behavior may be correlated with ontogenetic changes in sensory systems. Therefore, this study was designed to identify changes in spectral sensitivity and opsin gene expression of A. marmorata during upstream migration. Microspectrophotometry analysis revealed that the tropical eel possesses a duplex retina with rod and cone photoreceptors. The λmax of rod cells are 493, 489, and 489 nm in glass, yellow, and wild eels, while those of cone cells are 508, and 517 nm in yellow, and wild eels, respectively. Unlike European and American eels, Asian eels exhibited a blue-shifted pattern of rod photoreceptors during upstream migration. Quantitative gene expression analyses of four cloned opsin genes (Rh1f, Rh1d, Rh2, and SWS2) revealed that Rh1f expression is dominant at all three stages, while Rh1d is expressed only in older yellow eel. Furthermore, sequence comparison and protein modeling studies implied that a blue shift in Rh1d opsin may be induced by two known (N83, S292) and four putative (S124, V189, V286, I290) tuning sites adjacent to the retinal binding sites. Finally, expression of blue-shifted Rh1d opsin resulted in a spectral shift in rod photoreceptors. Our observations indicate that the giant mottled eel is color-blind, and its blue-shifted scotopic vision may influence its upstream migration behavior and habitat choice.

Raman and surface enhanced Raman spectroscopy of amino acids and peptide

NASA Astrophysics Data System (ADS)

Yuan, Xiaojuan; Gu, Huaimin; Wu, Jiwei; Kang, Jian; Dong, Xiao

2009-08-01

Surface enhanced Raman scattering (SERS) is potentially tool in the characterization of biomolecules such as amino acids, complicated peptides and proteins, and even tissues or living cells. Amino acids and short peptides contain different functional groups. Therefore, they are suitable for the investigations of the competitive-interactions of these functional groups with colloidal silver surfaces. In this paper, Normal Raman and SERS of amino acids Leucine and Isoleucine and short peptide Leu-Leu were measured on the silver colloidal substrate. Raman shifts that stem from different vibrational mode in the molecular inner structure, and the variations of SERS of the samples were analyzed in this study. The results show that different connection of one methyl to the main chains of the isomer amino acids resulted in different vibration modes in the Normal Raman spectra of Leucine and Isoleucine. In the SERS spectra of the isomer amino acids, all frequency shifts are expressed more differently than those in Normal Raman spectra of solid state. Orientation of this isomer amino acids, as well as specific-competitive interactions of their functional groups with the colloidal silver surface, were speculated by detailed spectral analysis of the obtained SERS spectra. In addition, the dipeptide Leu-Leu, as the corresponding homodipeptide of Leucine, was also measured adsorbed on the colloidal silver surface. The SERS spectrum of Leu-Leu is different from its corresponding amino acid Leucine but both of them are adsorbed on the silver surface through the carboxylate moiety.

Ultrahigh-brightness, spectrally-flat, short-wave infrared supercontinuum source for long-range atmospheric applications.

PubMed

Yin, Ke; Zhu, Rongzhen; Zhang, Bin; Jiang, Tian; Chen, Shengping; Hou, Jing

2016-09-05

Fiber based supercontinuum (SC) sources with output spectra covering the infrared atmospheric window are very useful in long-range atmospheric applications. It is proven that silica fibers can support the generation of broadband SC sources ranging from the visible to the short-wave infrared region. In this paper, we present the generation of an ultrahigh-brightness spectrally-flat 2-2.5 μm SC source in a cladding pumped thulium-doped fiber amplifier (TDFA) numerically and experimentally. The underlying physical mechanisms behind the SC generation process are investigated firstly with a numerical model which includes the fiber gain and loss, the dispersive and nonlinear effects. Simulation results show that abundant soliton pulses are generated in the TDFA, and they are shifted towards the long wavelength side very quickly with the nonlinearity of Raman soliton self-frequency shift (SSFS), and eventually the Raman SSFS process is halted due to the silica fiber's infrared loss. A spectrally-flat 2-2.5 μm SC source could be generated as the result of the spectral superposition of these abundant soliton pulses. These simulation results correspond qualitatively well to the following experimental results. Then, in the experiment, a cladding pumped large-mode-area TDFA is built for pursuing a high-power 2-2.5 μm SC source. By enhancing the pump strength, the output SC spectrum broadens to the long wavelength side gradually. At the highest pump power, the obtained SC source has a maximum average power of 203.4 W with a power conversion efficiency of 38.7%. It has a 3 dB spectral bandwidth of 545 nm ranging from 1990 to 2535 nm, indicating a power spectral density in excess of 370 mW/nm. Meanwhile, the output SC source has a good beam profile. This SC source, to the best of our knowledge, is the brightest spectrally-flat 2-2.5 μm light source ever reported. It will be highly desirable in a lot of long-range atmospheric applications, such as broad-spectrum LIDAR, free space communication and hyper-spectral imaging.

Relative stabilities and the spectral signatures of stacked and hydrogen-bonded dimers of serotonin

NASA Astrophysics Data System (ADS)

Dev, S.; Giri, K.; Majumder, M.; Sathyamurthy, N.

2015-10-01

The O-HṡṡṡN hydrogen-bonded dimer of serotonin is shown to be more stable than the stacked dimer in its ground electronic state, by using the Møller-Plesset second-order perturbation theory (MP2) and the 6-31g** basis set. The vertical excitation energy for the lowest π → π* transition for the monomer as well as the dimer is predicted by time-dependent density functional theory. The experimentally observed red shift of excitation wavelength on oligomerisation is explained in terms of the change in the HOMO-LUMO energy gap due to complex formation. The impact of dimer formation on the proton magnetic resonance spectrum of serotonin monomer is also examined.

Microwave beamed power technology improvement. [magnetrons and slotted waveguide arrays

NASA Technical Reports Server (NTRS)

Brown, W. C.

1980-01-01

The magnetron directional amplifier was tested for (1) phase shift and power output as a function of gain, anode current, and anode voltage, (2) background noise and harmonics in the output, (3) long life potential of the magnetron cathode, and (4) high operational efficiency. Examples of results were an adequate range of current and voltage over which 20 dB of amplification could be obtained, spectral noise density 155 dB below the carrier, 81.7% overall efficiency, and potential cathode life of 50 years in a design for solar power satellite use. A fabrication method was used to fabricate a 64 slot, 30 in square slotted waveguide array module from 0.020 in thick aluminum sheet. The test results on the array are discussed.

Quantum chemical calculations of anion complex [B12Hx(CF3)12-x]2-, x = 9 - 12

NASA Astrophysics Data System (ADS)

Koblova, Elena A.; Saldin, Vitaly I.; Ustinov, Alexander Yu.

2016-12-01

The geometric, energetic, spectral and electronic properties of the most stable isomers of B12Hx(CF3)12-X2- anion complex with x = 9 - 12 have been studied using Density Functional Theory (B3LYP/6-311++G**). It was shown that these isomers are characterized by the preference to form the most symmetric structures with uniformly distributed charge densities. However, when replacing a hydrogen atom with fluoromethyl group, an inductive effect occurs. Blue shifts in the IR spectrum compared to the vibrations of the free CF3 molecule are in the range of 2 - 69 cm-1 and points to the stability of B12Hx(CF3)12-x2- anions.

Measurement of winds in Venus' upper mesosphere based on Doppler shifts of the 2.6-mm (C-12)O line

NASA Technical Reports Server (NTRS)

Shah, Kathryn P.; Muhleman, Duane O.; Berge, Glenn L.

1991-01-01

Venus observations conducted in 1988 at the first rotational transition of (C-12)O finely sampled this absorption line by means of a 32-channel filter bank; with this spatial and spectral resolution, it proved possible to measure Doppler shifts of the absorption line across the planet due to strong winds in Venus' upper mesosphere. The Doppler shifts change in a way that is indicative of westward horizontal winds. The radial wind speeds from the Doppler shifts were smoothed to reduce noise and then fitted in least-squares fashion to canonical forms of the lower atmosphere's westward zonal flow. The two flows exhibit a high correlation in orientation.

Broadband one-dimensional photonic crystal wave plate containing single-negative materials.

PubMed

Chen, Yihang

2010-09-13

The properties of the phase shift of wave reflected from one-dimensional photonic crystals consisting of periodic layers of single-negative (permittivity- or permeability-negative) materials are demonstrated. As the incident angle increases, the reflection phase shift of TE wave decreases, while that of TM wave increases. The phase shifts of both polarized waves vary smoothly as the frequency changes across the photonic crystal stop band. Consequently, the difference between the phase shift of TE and that of TM wave could remain constant in a rather wide frequency range inside the stop band. These properties are useful to design wave plate or retarder which can be used in wide spectral band. In addition, a broadband photonic crystal quarter-wave plate is proposed.

Flexible digital modulation and coding synthesis for satellite communications

NASA Technical Reports Server (NTRS)

Vanderaar, Mark; Budinger, James; Hoerig, Craig; Tague, John

1991-01-01

An architecture and a hardware prototype of a flexible trellis modem/codec (FTMC) transmitter are presented. The theory of operation is built upon a pragmatic approach to trellis-coded modulation that emphasizes power and spectral efficiency. The system incorporates programmable modulation formats, variations of trellis-coding, digital baseband pulse-shaping, and digital channel precompensation. The modulation formats examined include (uncoded and coded) binary phase shift keying (BPSK), quatenary phase shift keying (QPSK), octal phase shift keying (8PSK), 16-ary quadrature amplitude modulation (16-QAM), and quadrature quadrature phase shift keying (Q squared PSK) at programmable rates up to 20 megabits per second (Mbps). The FTMC is part of the developing test bed to quantify modulation and coding concepts.

Automatic alignment of individual peaks in large high-resolution spectral data sets

NASA Astrophysics Data System (ADS)

Stoyanova, Radka; Nicholls, Andrew W.; Nicholson, Jeremy K.; Lindon, John C.; Brown, Truman R.

2004-10-01

Pattern recognition techniques are effective tools for reducing the information contained in large spectral data sets to a much smaller number of significant features which can then be used to make interpretations about the chemical or biochemical system under study. Often the effectiveness of such approaches is impeded by experimental and instrument induced variations in the position, phase, and line width of the spectral peaks. Although characterizing the cause and magnitude of these fluctuations could be important in its own right (pH-induced NMR chemical shift changes, for example) in general they obscure the process of pattern discovery. One major area of application is the use of large databases of 1H NMR spectra of biofluids such as urine for investigating perturbations in metabolic profiles caused by drugs or disease, a process now termed metabonomics. Frequency shifts of individual peaks are the dominant source of such unwanted variations in this type of data. In this paper, an automatic procedure for aligning the individual peaks in the data set is described and evaluated. The proposed method will be vital for the efficient and automatic analysis of large metabonomic data sets and should also be applicable to other types of data.

Estimation of photonic band gap in the hollow core cylindrical multilayer structure

NASA Astrophysics Data System (ADS)

Chourasia, Ritesh Kumar; Singh, Vivek

2018-04-01

The propagation characteristic of two hollow core cylindrical multilayer structures having high and low refractive index contrast of cladding regions have been studied and compared at two design wavelengths i.e. 1550 nm and 632.8 nm. With the help of transfer matrix method a relation between the incoming light wave and outgoing light wave has been developed using the boundary matching technique. In high refractive index contrast, small numbers of layers are sufficient to provide perfect band gap in both design wavelengths. The spectral position and width of band gap is highly depending on the optical path of incident light in all considered cases. For sensing application, the sensitivity of waveguide can be obtained either by monitoring the width of photonic band gap or by monitoring the spectral shift of photonic band gap. Change in the width of photonic band gap with the core refractive index is larger in high refractive index contrast of cladding materials. However, in the case of monitoring the spectral shift of band gap, the obtained sensitivity is large for low refractive index contrast of cladding materials and further it increases with increase of design wavelength.

Optical spectroscopy diagnosis for serum of normal and digestive canal cancer

NASA Astrophysics Data System (ADS)

Li, Xiaozhou; Jin, Huiqiang; Wang, Yuepeng

2003-07-01

To investigate the spectral specialities of digestive cancer serum for diagnosis, fluorescence and Raman spectra of normal, digestive cancer (both before and after operation), such as stomach cancer, esophagus cancer and atrophic gastritis sera were measured in the visible region in this study. Results demonstrate several points. First, all spectra except esophagus cancer were characterized by three sharp peaks (A, B and C), but we cannot differentiate them from each other at once. The intensity of each peak was different in different spectrum. Second, after samples were radiated by laser, fluorescence weakend along with red shift of its band center, and spectral changes of normal and stomach cancer (after operation) cases were different from other samples. It was also observed that spectral changes of atrophic gastritis were very similar with stomach cancer (such as the red shift of fluorescence peak is more than 12 nm) after radiated by laser, however, there are still some distinctions that can be used to differentiate them from each other. At last, a notable difference is that the relative intensity of peak C excited by 488.0 nm is higher than excited by 514.5 nm in spectrum of stomach cancer, whereas lower in other cases.

Modulation of induced gamma band activity in the human EEG by attention and visual information processing.

PubMed

Müller, M M; Gruber, T; Keil, A

2000-12-01

Here we present a series of four studies aimed to investigate the link between induced gamma band activity in the human EEG and visual information processing. We demonstrated and validated the modulation of spectral gamma band power by spatial selective visual attention. When subjects attended to a certain stimulus, spectral power was increased as compared to when the same stimulus was ignored. In addition, we showed a shift in spectral gamma band power increase to the contralateral hemisphere when subjects shifted their attention to one visual hemifield. The following study investigated induced gamma band activity and the perception of a Gestalt. Ambiguous rotating figures were used to operationalize the law of good figure (gute Gestalt). We found increased gamma band power at posterior electrode sites when subjects perceived an object. In the last experiment we demonstrated a differential hemispheric gamma band activation when subjects were confronted with emotional pictures. Results of the present experiments in combination with other studies presented in this volume are supportive for the notion that induced gamma band activity in the human EEG is closely related to visual information processing and attentional perceptual mechanisms.

Can the bump in the composite spectrum of GRB 910503 be an emission line feature of gamma-ray bursts?

NASA Astrophysics Data System (ADS)

Qin, Yi-Ping; Zhang, Fu-Wen

2005-12-01

Appearing in the composite spectral data of BATSE, EGRET and COMPTEL for GRB 910503, there is a bump at around 1600 keV. We perform a statistical analysis on the spectral data, trying to find out if the bump could be accounted for by a blue-shifted and significantly broadened rest frame line due to the Doppler effect of an expanding fireball surface. We made an F-test and adopted previously proposed criteria. The study reveals that the criteria are well satisfied and the feature can be interpreted as the blue shifted 6.4 keV line. From the fit with this line taken into account, we find the Lorentz factor of this source to be Γ = 116+9-9 (at the 68% confident level, triangleχ2 = 1) and the rest frame spectral peak energy to be E0,p = 2.96+0.24-0.18 keV. Although the existence of the emission line feature requires other independent tests to confirm, the analysis suggests that it is feasible to detect emission line features in the high energy range of GRB spectra when taking into account the Doppler effect of fireball expansion.

A spectral profile multiplexed FBG sensor network with application to strain measurement in a Kevlar woven fabric

NASA Astrophysics Data System (ADS)

Guo, Guodong; Hackney, Drew; Pankow, Mark; Peters, Kara

2017-04-01

A spectral profile division multiplexed fiber Bragg grating (FBG) sensor network is described in this paper. The unique spectral profile of each sensor in the network is identified as a distinct feature to be interrogated. Spectrum overlap is allowed under working conditions. Thus, a specific wavelength window does not need to be allocated to each sensor as in a wavelength division multiplexed (WDM) network. When the sensors are serially connected in the network, the spectrum output is expressed through a truncated series. To track the wavelength shift of each sensor, the identification problem is transformed to a nonlinear optimization problem, which is then solved by a modified dynamic multi-swarm particle swarm optimizer (DMS-PSO). To demonstrate the application of the developed network, a network consisting of four FBGs was integrated into a Kevlar woven fabric, which was under a quasi-static load imposed by an impactor head. Due to the substantial radial strain in the fabric, the spectrums of different FBGs were found to overlap during the loading process. With the developed interrogating method, the overlapped spectrum would be distinguished thus the wavelength shift of each sensor can be monitored.

Simulated shifts in the mid-latitude storm tracks over the western US detected through isotopes in precipitation and vapor

NASA Astrophysics Data System (ADS)

Buenning, N. H.; Stott, L. D.; Kanner, L.; Yoshimura, K.

2013-12-01

One of the most robust features of climate model projections for the 21st century includes a poleward shift of middle latitude storm tracks in response to enhanced radiative forcing. This study evaluates how shifts in the middle latitude storm tracks over the North Pacific has been expressed in the stable isotopic composition of atmospheric vapor and precipitation in the past 60 years. Previous work has demonstrated how the isotopic composition of precipitation (δ18Op) in the Pacific Northwest and in atmospheric vapor (δ18Ov) across the western US reflects the large-scale atmospheric circulation. Thus, it is possible to use the isotopic composition of water in these regions to detect shifts in mid-latitude storm tracks. Results from the Isotope-incorporated Global Spectral Model (IsoGSM) are presented to better understand the recent low frequency variations in δ18O values over the western US. The IsoGSM simulations presented here were spectrally nudged every six hours to the NCEP/NCAR Reanalysis wind and temperature fields. The spectral nudging technique allows for realistic isotopic simulations that are consistent with observed large-scale mid-latitude storm systems. Model results suggest that δ18Op has risen over the Pacific Northwest and δ18Ov has increased across the western US since the 1950s (see Figure), an indication of more moisture advection from the tropics and less moisture transported from the middle latitudes. Water tagging simulations reveal that as δ18Ov increased in the western US, the fraction of vapor from the subtropics had also increased, while the fraction from the middle latitudes had decreased. Similarly, the tagging simulations resulted in increased subtropical precipitation falling in the Pacific Northwest and decreased precipitation from the middle latitudes. These model simulations suggest that a northward shift in storm tracks has already taken place over the last 60 years in the western US. Furthermore, the results underscore the potential of using isotopes in vapor and precipitation in certain regions of western North America to monitor middle latitude storm behavior as the climate warms.

SWS2 visual pigment evolution as a test of historically contingent patterns of plumage color evolution in Warblers

PubMed Central

Bloch, Natasha I.; Morrow, James M.; Chang, Belinda S.W.; Price, Trevor D.

2014-01-01

Distantly related clades that occupy similar environments may differ due to the lasting imprint of their ancestors – historical contingency. The New World warblers (Parulidae) and Old World warblers (Phylloscopidae) are ecologically similar clades that differ strikingly in plumage coloration. We studied genetic and functional evolution of the short-wavelength sensitive visual pigments (SWS2 and SWS1) to ask if altered color perception could contribute to the plumage color differences between clades. We show SWS2 is short-wavelength shifted in birds that occupy open environments, such as finches, compared to those in closed environments, including warblers. Phylogenetic reconstructions indicate New World warblers were derived from a finch-like form that colonized from the Old World 15-20Ma. During this process the SWS2 gene accumulated 6 substitutions in branches leading to New World warblers, inviting the hypothesis that passage through a finch-like ancestor resulted in SWS2 evolution. In fact, we show spectral tuning remained similar across warblers as well as the finch ancestor. Results reject the hypothesis of historical contingency based on opsin spectral tuning, but point to evolution of other aspects of visual pigment function. Using the approach outlined here, historical contingency becomes a generally testable theory in systems where genotype and phenotype can be connected. PMID:25496318

SWS2 visual pigment evolution as a test of historically contingent patterns of plumage color evolution in warblers.

PubMed

Bloch, Natasha I; Morrow, James M; Chang, Belinda S W; Price, Trevor D

2015-02-01

Distantly related clades that occupy similar environments may differ due to the lasting imprint of their ancestors-historical contingency. The New World warblers (Parulidae) and Old World warblers (Phylloscopidae) are ecologically similar clades that differ strikingly in plumage coloration. We studied genetic and functional evolution of the short-wavelength-sensitive visual pigments (SWS2 and SWS1) to ask if altered color perception could contribute to the plumage color differences between clades. We show SWS2 is short-wavelength shifted in birds that occupy open environments, such as finches, compared to those in closed environments, including warblers. Phylogenetic reconstructions indicate New World warblers were derived from a finch-like form that colonized from the Old World 15-20 Ma. During this process, the SWS2 gene accumulated six substitutions in branches leading to New World warblers, inviting the hypothesis that passage through a finch-like ancestor resulted in SWS2 evolution. In fact, we show spectral tuning remained similar across warblers as well as the finch ancestor. Results reject the hypothesis of historical contingency based on opsin spectral tuning, but point to evolution of other aspects of visual pigment function. Using the approach outlined here, historical contingency becomes a generally testable theory in systems where genotype and phenotype can be connected. © 2014 The Author(s). Evolution © 2014 The Society for the Study of Evolution.

Ultrafast transient absorption revisited: Phase-flips, spectral fingers, and other dynamical features

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cina, Jeffrey A., E-mail: cina@uoregon.edu; Kovac, Philip A.; Jumper, Chanelle C.

We rebuild the theory of ultrafast transient-absorption/transmission spectroscopy starting from the optical response of an individual molecule to incident femtosecond pump and probe pulses. The resulting description makes use of pulse propagators and free molecular evolution operators to arrive at compact expressions for the several contributions to a transient-absorption signal. In this alternative description, which is physically equivalent to the conventional response-function formalism, these signal contributions are conveniently expressed as quantum mechanical overlaps between nuclear wave packets that have undergone different sequences of pulse-driven optical transitions and time-evolution on different electronic potential-energy surfaces. Using this setup in application to amore » simple, multimode model of the light-harvesting chromophores of PC577, we develop wave-packet pictures of certain generic features of ultrafast transient-absorption signals related to the probed-frequency dependence of vibrational quantum beats. These include a Stokes-shifting node at the time-evolving peak emission frequency, antiphasing between vibrational oscillations on opposite sides (i.e., to the red or blue) of this node, and spectral fingering due to vibrational overtones and combinations. Our calculations make a vibrationally abrupt approximation for the incident pump and probe pulses, but properly account for temporal pulse overlap and signal turn-on, rather than neglecting pulse overlap or assuming delta-function excitations, as are sometimes done.« less

Photophysical Behavior and Computational Investigation of Novel 1,4-Bis(2-(2-Phenylpyrimido[1,2-a]Benzimidazol-4-Yl)Phenoxy)Butan (BPPB) Macromolecule.

PubMed

Saleh, Tamer S; Hussein, Mahmoud A; Osman, Osman I; Alamry, Khalid A; Mekky, Ahmed E M; Asiri, Abdullah M; El-Daly, Samy A

2016-09-01

A new macromolecule pyrimido[l,2-a]benzimidazole derivative named 1,4-bis(2-(2-phenylpyrimido[1,2-a]benzimidazol-4-yl)phenoxy)butan (BPPB) has been synthesized in accepted yield using microwave assistance. The new compound BPPB has been formed by the interaction of 3,3'-((butane-1,4-diylbis(oxy))bis(2,1-phenylene))bis(1-phenylprop-2-en-1-one) (3) with 2- aminobenzimidazole (4) in the presence of potassium hydroxide as a basic catalyst in dimethylformamide (DMF) under microwave radiation for 20 min. The chemical structure of this novel compound was elucidated by elemental and spectral techniques including: FT-IR, (1)H-NMR, (13)C-NMR and mass spectra. The electronic absorption and emission spectra of BPPB were measured in different solvents. BPPB displayed a solvatochromic effect of the emission spectrum that is reflected by red shifts of its fluorescence emission maxima on increasing the solvent polarity, indicating a change of electronic charge distribution upon excitation. BPPB crystalline solids gave excimer-like emission at 535 nm with a bandwidth of ca. 60 nm. Ground and excited states electronic geometry optimizations using density functional theory (DFT) and time-dependent density functional theory (TD-DFT), respectively, complemented these spectral findings. The intramolecular charge transfer was investigated by natural bond orbital (NBO) technique.

Method for optimizing output in ultrashort-pulse multipass laser amplifiers with selective use of a spectral filter

DOEpatents

Backus, Sterling J [Erie, CO; Kapteyn, Henry C [Boulder, CO

2007-07-10

A method for optimizing multipass laser amplifier output utilizes a spectral filter in early passes but not in later passes. The pulses shift position slightly for each pass through the amplifier, and the filter is placed such that early passes intersect the filter while later passes bypass it. The filter position may be adjust offline in order to adjust the number of passes in each category. The filter may be optimized for use in a cryogenic amplifier.

Post-Launch Analysis of Swift's Gamma-Ray Burst Detection Sensitivity

NASA Technical Reports Server (NTRS)

Band, David L.

2005-01-01

The dependence of Swift#s detection sensitivity on a burst#s temporal and spectral properties shapes the detected burst population. Using s implified models of the detector hardware and the burst trigger syste m I find that Swift is more sensitive to long, soft bursts than CGRO# s BATSE, a reference mission because of its large burst database. Thu s Swift has increased sensitivity in the parameter space region into which time dilation and spectral redshifting shift high redshift burs ts.

Spectral wings of the fiber supercontinuum and the dark-bright soliton interaction.

PubMed

Milián, C; Marest, T; Kudlinski, A; Skryabin, D V

2017-05-01

We present experimental and numerical data on the supercontinuum generation in an optical fiber pumped in the normal dispersion range where the seeded dark and the spontaneously generated bright solitons contribute to the spectral broadening. We report the dispersive radiation arising from the interaction of the bright and dark solitons. This radiation consists of the two weak dispersing pulses that continuously shift their frequencies and shape the short and long wavelength wings of the supercontinuum spectrum.

Radar Investigations of Asteroids

NASA Technical Reports Server (NTRS)

Ostro, S. J.

1984-01-01

Radar investigations of asteroids, including observations during 1984 to 1985 of at least 8 potential targets and continued analyses of radar data obtained during 1980 to 1984 for 30 other asteroids is proposed. The primary scientific objectives include estimation of echo strength, polarization, spectral shape, spectral bandwidth, and Doppler shift. These measurements yield estimates of target size, shape, and spin vector; place constraints on topography, morphology, density, and composition of the planetary surface; yield refined estimates of target orbital parameters; and reveals the presence of asteroidal satellites.

Analysis of scanner data for crop inventories

NASA Technical Reports Server (NTRS)

Horvath, R. (Principal Investigator); Cicone, R. C.; Kauth, R. J.; Malila, W. A.; Pont, W.; Thelen, B.; Sellman, A.

1981-01-01

Accomplishments for a machine-oriented small grains labeler T&E, and for Argentina ground data collection are reported. Features of the small grains labeler include temporal-spectral profiles, which characterize continuous patterns of crop spectral development, and crop calendar shift estimation, which adjusts for planting date differences of fields within a crop type. Corn and soybean classification technology development for area estimation for foreign commodity production forecasting is reported. Presentations supporting quarterly project management reviews and a quarterly technical interchange meeting are also included.

Multichannel analyzers at high rates of input

NASA Technical Reports Server (NTRS)

Rudnick, S. J.; Strauss, M. G.

1969-01-01

Multichannel analyzer, used with a gating system incorporating pole-zero compensation, pile-up rejection, and baseline-restoration, achieves good resolution at high rates of input. It improves resolution, reduces tailing and rate-contributed continuum, and eliminates spectral shift.

Photoswitchable non-fluorescent thermochromic dye-nanoparticle hybrid probes.

PubMed

Harrington, Walter N; Haji, Mwafaq R; Galanzha, Ekaterina I; Nedosekin, Dmitry A; Nima, Zeid A; Watanabe, Fumiya; Ghosh, Anindya; Biris, Alexandru S; Zharov, Vladimir P

2016-11-08

Photoswitchable fluorescent proteins with controllable light-dark states and spectral shifts in emission in response to light have led to breakthroughs in the study of cell biology. Nevertheless, conventional photoswitching is not applicable for weakly fluorescent proteins and requires UV light with low depth penetration in bio-tissue. Here we introduce a novel concept of photoswitchable hybrid probes consisting of thermochromic dye and absorbing nanoparticles, in which temperature-sensitive light-dark states and spectral shifts in absorption can be switched through controllable photothermal heating of doped nanoparticles. The proof-of-concept is demonstrated through the use of two different types of temperature-sensitive dyes doped with magnetic nanoparticles and reversibly photoswitched by a near-infrared laser. Photoacoustic imaging revealed the high contrast of these probes, which is sufficient for their visualization in cells and deep tissue. Our results suggest that these new photoswitchable multicolour probes can be used for multimodal cellular diagnostics and potentially for magnetic and photothermal therapy.

Spectrally dependent photovoltages in Schottky photodiode based on (100) B-doped diamond

NASA Astrophysics Data System (ADS)

Čermák, Jan; Koide, Yasuo; Takeuchi, Daisuke; Rezek, Bohuslav

2014-02-01

Spectrally and spatially resolved photovoltages were measured by Kelvin probe force microscopy (KPFM) on a Schottky photo-diode made of a 4 nm thin tungsten-carbide (WC) layer on a 500 nm oxygen-terminated boron-doped diamond epitaxial layer (O-BDD) that was grown on a Ib (100) diamond substrate. The diode was grounded by the sideways ohmic contact (Ti/WC), and the semitransparent Schottky contact was let unconnected. The electrical potentials across the device were measured in dark (only 650 nm LED of KPFM being on), under broad-band white light (halogen lamp), UV (365 nm diode), and deep ultraviolet (deuterium lamp) illumination. Illumination induced shift of the electrical potential remains within 210 mV. We propose that the photovoltage actually corresponds to a shift of Fermi level inside the BDD channel and thereby explains orders of magnitude changes in photocurrent.

Photoswitchable non-fluorescent thermochromic dye-nanoparticle hybrid probes

NASA Astrophysics Data System (ADS)

Harrington, Walter N.; Haji, Mwafaq R.; Galanzha, Ekaterina I.; Nedosekin, Dmitry A.; Nima, Zeid A.; Watanabe, Fumiya; Ghosh, Anindya; Biris, Alexandru S.; Zharov, Vladimir P.

2016-11-01

Photoswitchable fluorescent proteins with controllable light-dark states and spectral shifts in emission in response to light have led to breakthroughs in the study of cell biology. Nevertheless, conventional photoswitching is not applicable for weakly fluorescent proteins and requires UV light with low depth penetration in bio-tissue. Here we introduce a novel concept of photoswitchable hybrid probes consisting of thermochromic dye and absorbing nanoparticles, in which temperature-sensitive light-dark states and spectral shifts in absorption can be switched through controllable photothermal heating of doped nanoparticles. The proof-of-concept is demonstrated through the use of two different types of temperature-sensitive dyes doped with magnetic nanoparticles and reversibly photoswitched by a near-infrared laser. Photoacoustic imaging revealed the high contrast of these probes, which is sufficient for their visualization in cells and deep tissue. Our results suggest that these new photoswitchable multicolour probes can be used for multimodal cellular diagnostics and potentially for magnetic and photothermal therapy.

Electrically tunable infrared filter based on a cascaded liquid-crystal Fabry-Perot for spectral imaging detection.

PubMed

Lin, Jiuning; Tong, Qing; Lei, Yu; Xin, Zhaowei; Wei, Dong; Zhang, Xinyu; Liao, Jing; Wang, Haiwei; Xie, Changsheng

2017-03-01

An electrically tunable infrared (IR) filter based on a key cascaded liquid-crystal Fabry-Perot (C-LC-FP) working in the wavelength range of 3-5 μm is presented. The C-LC-FP is constructed by closely stacking two FP microcavities with different depths of 12 and 15 μm and fully filled by nematic LC materials. Through continuous wavelength selection of both microcavities, radiation with a high transmittance and narrow bandwidth can pass through the filter. According to the electrically controlled birefringence characteristics of nematic LC molecules, the transmission spectrum can be shifted through applying a dual voltage signal over the C-LC-FP. Compared with common LC-FPs with a single microcavity, the C-LC-FP demonstrates better transmittance peak morphology and spectral selection performance. To be more specific, the number and the shifted scope of the IR transmission peak can be decreased and widened, respectively.

Degradation of optical components in space

NASA Technical Reports Server (NTRS)

Blue, M. D.

1993-01-01

This report concerns two types of optical components: multilayer filters and mirrors, and self-scanned imaging arrays using charge coupled device (CCD) readouts. For the filters and mirrors, contamination produces a strong reduction in transmittance in the ultraviolet spectral region, but has little or no effect in the visible and infrared spectral regions. Soft substrates containing halides are unsatisfactory as windows or substrates. Materials choice for dielectric layers should also reflect such considerations. Best performance is also found for the harder materials. Compaction of the layers and interlayer diffusion causes a blue shift in center wavelength and loss of throughput. For sensors using CCD's, shifts in gate voltage and reductions in transfer efficiency occur. Such effects in CCD's are in accord with expectations of the effects of the radiation dose on the device. Except for optical fiber, degradation of CCD's represents the only ionizing-radiation induced effect on the Long Duration Exposure Facility (LDEF) optical systems components that has been observed.

Modems for emerging digital cellular-mobile radio system

NASA Technical Reports Server (NTRS)

Feher, Kamilo

1991-01-01

Digital modem techniques for emerging digital cellular telecommunications-mobile radio system applications are described and analyzed. In particular, theoretical performance, experimental results, principles of operation, and various architectures of pi/4-QPSK (pi/4-shifted coherent or differential QPSK) modems for second-generation US digital cellular radio system applications are presented. The spectral/power efficiency and performance of the pi/4-QPSK modems (American and Japanese digital cellular emerging standards) are studied and briefly compared to GMSK (Gaussian minimum-shift keying) modems (proposed for European DECT and GSM cellular standards). Improved filtering strategies and digital pilot-aided (digital channel sounding) techniques are also considered for pi/4-QPSK and other digital modems. These techniques could significantly improve the performance of digital cellular and other digital land mobile and satellite mobile radio systems. More spectrally efficient modem trends for future cellular/mobile (land mobile) and satellite communication systems applications are also highlighted.

Thermo-optic characteristic of DNA thin solid film and its application as a biocompatible optical fiber temperature sensor.

PubMed

Hong, Seongjin; Jung, Woohyun; Nazari, Tavakol; Song, Sanggwon; Kim, Taeoh; Quan, Chai; Oh, Kyunghwan

2017-05-15

We report unique thermo-optical characteristics of DNA-Cetyl tri-methyl ammonium (DNA-CTMA) thin solid film with a large negative thermo-optical coefficient of -3.4×10^-4/°C in the temperature range from 20°C to 70°C without any observable thermal hysteresis. By combining this thermo-optic DNA film and fiber optic multimode interference (MMI) device, we experimentally demonstrated a highly sensitive compact temperature sensor with a large spectral shift of 0.15 nm/°C. The fiber optic MMI device was a concatenated structure with single-mode fiber (SMF)-coreless silica fiber (CSF)-single mode fiber (SMF) and the DNA-CTMA film was deposited on the CSF. The spectral shifts of the device in experiments were compared with the beam propagation method, which showed a good agreement.

Spectral investigation of somatotropin for different pH values

NASA Astrophysics Data System (ADS)

Otero de Joshi, Virginia; Gil, Herminia; Contreras, Silvia; Joshi, Narahari V.; Hernandez, Luis

1996-04-01

Spectral investigations of absorbance in deep ultra-violet region (from 200 nm to 350 nm) of (STM) was carried out for different pH values. On the high energy side the peak is located at 195 nm which is generally attributed to peptide bonds. This peak, as expected, does not show any shift with pH value (4.3 to 10.8). A rather broad peak is spread in the region from 200 nm to 240 nm which could be the superposition of the peaks corresponding to the absorption due to (alpha) helix and (beta) structure. This peak shows a red shift as pH value increases. The same hormone was glycated by a conventional method and the process was estimated with the absorption spectra. The results are discussed in the light of nonenzymatic glycation. It was found that glycation mucus somatotropin resistant towards the denaturation process.

Cross-phase modulation-induced spectral broadening in silicon waveguides.

PubMed

Zhang, Yanbing; Husko, Chad; Lefrancois, Simon; Rey, Isabella H; Krauss, Thomas F; Schröder, Jochen; Eggleton, Benjamin J

2016-01-11

We analytically and experimentally investigate cross-phase modulation (XPM) in silicon waveguides. In contrast to the well known result in pure Kerr media, the spectral broadening ratio of XPM to self-phase modulation is not two in the presence of either two-photon absorption (TPA) or free carriers. The physical origin of this change is different for each effect. In the case of TPA, this nonlinear absorption attenuates and slightly modifies the pulse shape due to differential absorption in the pulse peak and wings. When free carriers are present two different mechanisms modify the dynamics. First, free-carrier absorption performs a similar role to TPA, but is additionally asymmetric due to the delayed free-carrier response. Second, free-carrier dispersion induces an asymmetric blue phase shift which competes directly with the symmetric Kerr-induced XPM red shift. We confirm this analysis with pump-probe experiments in a silicon photonic crystal waveguide.

Non-enolisable Knoevenagel condensate appended Schiff bases-metal (II) complexes: Spectral characteristics, DNA-binding and nuclease activities

NASA Astrophysics Data System (ADS)

Gubendran, Ammavasi; Kesavan, Mookkandi Palsamy; Ayyanaar, Srinivasan; Mitu, Liviu; Athappan, Periyakaruppan; Rajesh, Jegathalaprathaban

2017-06-01

New Schiff base complexes [Cu(L1)Cl] (1), [Ni(L1)Cl] (2), [Zn(L1)Cl] (3), and [Fe(L2)H2OCl] (4) {L1 = (4E)-3-(2-hydroxybenzylidene)-4-(2-hydroxyphenylimino)pentan-2-one, L2 = 2,2‧-(1E,1‧E)-(3-(2-hydroxybenzylidene)-pentane-2,4-diylidene)bis(azan-1-yl-1 idene)diphenol} have been synthesized and characterized by elemental analysis, UV-Vis, IR, FAB-mass, EPR, spectral studies and electrochemical studies, the ligands L1 &L2 were characterized by 1H and 13C NMR spectra. Complex 1 show a visible spectral d-d band near 600 nm and display cyclic voltammetric quasireversible response for the Cu(II)/Cu(I) couple vs Ag/AgCl in DMSO. The EPR spectrum of 1 show g‖ > g⊥ suggesting a square planar geometry around copper with dx2 - y2 as the ground state. The mass spectral results have confirmed the proposed structure for complexes 1-4. DNA binding properties of these complexes 1-4 have been investigated by absorption titrations, cyclic voltammetric studies and circular dichroism studies. On titration with DNA, the complexes 1-4 show hypochromism at the MLCT band (13-31%) with a red shift of 1-8 nm in the electronic spectrum and positive shift of voltammetric E1/2 in the CV studies are in favour of intercalative binding. CD spectra of 1 showed an increase in molar ellipticity (θ278) of the positive band with a minor red shift indicating the transition of B-form of DNA to A like form. DNA cleavage studies of complexes 1 and 4 with pUC18 DNA were studied by gel electrophoresis and complex 4 cleaves supercoiled pUC18 DNA in an oxidative manner in the presence of H2O2 and on photo irradiation at 312 nm.

Stimulated scattering in Ag nanoparticle colloids

NASA Astrophysics Data System (ADS)

Averyushkin, A. S.; Bulychev, N. A.; Efimkov, V. F.; Erokhin, A. I.; Kazaryan, M. A.; Mikhailov, S. I.; Saraeva, I. N.; Zubarev, I. G.

2017-05-01

A number of features of stimulated thermal Rayleigh scattering (STRS) in pure liquids and nanoparticle solutions are investigated in this work. It is shown that scattering efficiency is not reduced in the case of wide spectral bandwidth pump radiation. It is shown experimentally that the frequency shift of the scattered signal relative to the pump frequency greatly exceeds the theoretical value. It is also shown theoretically that the frequency shift value does not depend on the linewidth of the pump.

On one-sided filters for spectral Fourier approximations of discontinuous functions

NASA Technical Reports Server (NTRS)

Wei, Cai; Gottlieb, David; Shu, Chi-Wang

1991-01-01

The existence of one-sided filters, for spectral Fourier approximations of discontinuous functions, which can recover spectral accuracy up to discontinuity from one side, was proved. A least square procedure was also used to construct such a filter and test it on several discontinuous functions numerically.

The spectral function of a singular differential operator of order 2m

NASA Astrophysics Data System (ADS)

Kozko, Artem I.; Pechentsov, Alexander S.

2010-12-01

We study the spectral function of a self-adjoint semibounded below differential operator on a Hilbert space L_2 \\lbrack 0,\\infty) and obtain the formulae for the spectral function of the operator (-1)^{m}y^{(2m)}(x) with general boundary conditions at the zero. In particular, for the boundary conditions y(0)=y'(0)=\\dots=y^{(m-1)}(0)=0 we find the explicit form of the spectral function \\Theta_{mB'}(x,x,\\lambda) on the diagonal x=y for \\lambda \\ge 0.

Doppler lidar wind measurement with the edge technique

NASA Technical Reports Server (NTRS)

Korb, C. Laurence; Gentry, Bruce M.

1992-01-01

The edge technique is a new and powerful method for measuring small frequency shifts. Range resolved lidar measurements of winds can be made with high accuracy and high vertical resolution using the edge technique to measure the Doppler shift of an atmospheric backscattered signal from a pulsed laser. The edge technique can be used at near-infrared or visible wavelengths using well developed solid state lasers and detectors with various edge filters. In the edge technique, the laser frequency is located on the steep slope of the spectral response function of a high resolution optical filter. Due to the steep slope of the edge, very small frequency shifts cause large changes in measured signal. The frequency of the outgoing laser pulse is determined by measuring its location on the edge of the filter. This is accomplished by sending a small portion of the beam to the edge detection setup where the incoming light is split into two channels - an edge filter and an energy monitor channel. The energy monitor signal is used to normalize the edge filter signal for magnitude. The laser return backscattered from the atmosphere is collected by a telescope and directed through the edge detection setup to determine its frequency (location on the edge) in a similar manner for each range element. The Doppler shift, and thus the wind, is determined from a differential measurement of the frequency of the outgoing laser pulse and the frequency of the laser return backscattered from the atmosphere. We have conducted simulations of the performance of an edge lidar system using an injection seeded pulsed Nd:YAG laser at 1.06 microns. The central fringe of a Fabry-Perot etalon is used as a high resolution edge filter to measure the shift of the aerosol return.

Active spectral shaping with polarization-encoded Ti:sapphire amplifiers for sub-20 fs multi-terawatt systems

NASA Astrophysics Data System (ADS)

Cao, H.; Kalashnikov, M.; Osvay, K.; Khodakovskiy, N.; Nagymihaly, R. S.; Chvykov, V.

2018-04-01

A combination of a polarization-encoded (PE) and a conventional multi-pass amplifier was studied to overcome gain narrowing in the Ti:sapphire active medium. The seed spectrum was pre-shaped and blue-shifted during PE amplification and was then further broadened in a conventional, saturated multi-pass amplifier, resulting in an overall increase of the amplified bandwidth. Using this technique, seed pulses of 44 nm were amplified and simultaneously spectrally broadened to 57 nm without the use of passive spectral corrections. The amplified pulse after the PE amplifier was recompressed to 19 fs. The supported simulations confirm all aspects of experimental operation.

On the use of the noncentral chi-square density function for the distribution of helicopter spectral estimates

NASA Technical Reports Server (NTRS)

Garber, Donald P.

1993-01-01

A probability density function for the variability of ensemble averaged spectral estimates from helicopter acoustic signals in Gaussian background noise was evaluated. Numerical methods for calculating the density function and for determining confidence limits were explored. Density functions were predicted for both synthesized and experimental data and compared with observed spectral estimate variability.

Laboratory Reflectance Spectra in the Middle-infrared: Effects of Grain Size on Spectral Features

NASA Astrophysics Data System (ADS)

Le Bras, A.; Erard, S.; Fulchignoni, M.

2000-10-01

Since spectral mineral features are sensitive to surface parameters, interpretation of remote-sensing asteroids spectra in terms of mineral composition is not easy nor unique, and laboratory spectra are needed in order to understand the influence of each parameter. We developped an experimental program at IAS, using the 2.5-120 microns interferometer spectrometer, to study the influence of surface parameters on mineral features. We present here the results obtained variing the grain size. We studied grain size effects with two types of terrestrial rocks: anorthosite (bright) and basalte (dark) in the 2-40 microns range. We observed variations of the spectral contrast with grain size, shifts in wavelengths and variations of the intensity of some characteristic spectral features, and appearence of transparency features at wavelengths longer than 8 microns.

Land use and land cover change in the Greater Yellowstone Ecosystem: 1975-1995

USGS Publications Warehouse

Parmenter, A.W.; Hansen, A.; Kennedy, R.E.; Cohen, W.; Langner, U.; Lawrence, R.; Maxwell, B.; Gallant, Alisa; Aspinall, R.

2003-01-01

Shifts in the demographic and economic character of the Greater Yellowstone Ecosystem (GYE) are driving patterns of land cover and land use change in the region. Such changes may have important consequences for ecosystem functioning. The objective of this paper is to quantify the trajectories and rates of change in land cover and use across the GYE for the period 1975-1995 using satellite imagery. Spectral and geographic variables were used as inputs to classification tree regression analysis (CART) to find "rules" which defined land use and land cover classes on the landscape. The resulting CART functions were used to map land cover and land use across seven Landsat TM scenes for 1995. We then used a thresholding technique to identify locations that differed in spectral properties between the 1995 and 1985 time periods. These "changed" locations were classified using CART functions derived from spectral and geographic data from 1985. This was similarly done for the year 1975 based on Landsat MSS data. Differences between the 1975, 1985, and 1995 maps were considered change in land cover and use. We calibrated and tested the accuracy of our models using data acquired through manual interpretation of aerial photos. Elevation and vegetative indices derived from the remotely sensed satellite imagery explained the most variance in the land use and land cover classes (-i.e., defined the "rules" most often). Overall accuracies from our study were good, ranging from 94% at the coarsest level of detail to 74% at the finest. The largest changes over the study period were the increases in burned, urban, and mixed conifer-herbaceous classes and decreases in woody deciduous, mixed woody deciduous-herbaceous, and conifer habitats. These changes have important implications for ecological function and biodiversity. The expansion of mixed conifer classes may increase fuel loads and enhance risk to the growing number of rural homes. The reduction of woody deciduous cover types is likely reducing population sizes for the numerous plant and animal species that specialize on this habitat type. Some of these species are also negatively influenced by the increase of rural homes in and near woody deciduous habitats.

[The Identification of the Origin of Chinese Wolfberry Based on Infrared Spectral Technology and the Artificial Neural Network].

PubMed

Li, Zhong; Liu, Ming-de; Ji, Shou-xiang

2016-03-01

The Fourier Transform Infrared Spectroscopy (FTIR) is established to find the geographic origins of Chinese wolfberry quickly. In the paper, the 45 samples of Chinese wolfberry from different places of Qinghai Province are to be surveyed by FTIR. The original data matrix of FTIR is pretreated with common preprocessing and wavelet transform. Compared with common windows shifting smoothing preprocessing, standard normal variation correction and multiplicative scatter correction, wavelet transform is an effective spectrum data preprocessing method. Before establishing model through the artificial neural networks, the spectra variables are compressed by means of the wavelet transformation so as to enhance the training speed of the artificial neural networks, and at the same time the related parameters of the artificial neural networks model are also discussed in detail. The survey shows even if the infrared spectroscopy data is compressed to 1/8 of its original data, the spectral information and analytical accuracy are not deteriorated. The compressed spectra variables are used for modeling parameters of the backpropagation artificial neural network (BP-ANN) model and the geographic origins of Chinese wolfberry are used for parameters of export. Three layers of neural network model are built to predict the 10 unknown samples by using the MATLAB neural network toolbox design error back propagation network. The number of hidden layer neurons is 5, and the number of output layer neuron is 1. The transfer function of hidden layer is tansig, while the transfer function of output layer is purelin. Network training function is trainl and the learning function of weights and thresholds is learngdm. net. trainParam. epochs=1 000, while net. trainParam. goal = 0.001. The recognition rate of 100% is to be achieved. It can be concluded that the method is quite suitable for the quick discrimination of producing areas of Chinese wolfberry. The infrared spectral analysis technology combined with the artificial neural networks is proved to be a reliable and new method for the identification of the original place of Traditional Chinese Medicine.

Pigment spectra and intermolecular interaction potentials in glasses and proteins.

PubMed

Renge, I; van Grondelle, R; Dekker, J P

2007-10-01

A model is proposed for chromophore optical spectra in solids over a wide range of temperatures and pressures. Inhomogeneous band shapes and their pressure dependence, as well as baric shift coefficients of spectral lines, selected by the frequency, were derived using Lennard-Jones potentials of the ground and excited states. Quadratic electron-phonon coupling constants, describing the thermal shift and broadening of zero-phonon lines, were also calculated. Experimentally, thermal shift and broadening of spectral holes were studied between 5 and 40 K for a synthetic pigment, chlorin, embedded in polymer hosts. The baric effects on holes were determined by applying hydrostatic He gas pressure up to 200 bar, at 6 K. Absorption spectra of pheophytin a, chlorophyll a, and beta-carotene in polymers and plant photosystem II CP47 complex were measured between 5 (or 77) and 300 K, and subject to Voigtian deconvolution. A narrowing of inhomogeneous bandwidth with increasing temperature, predicted on the basis of hole behavior, was observed as the shrinking of Gaussian spectral component. The Lorentzian broadening was ascribed to optical dephasing up to 300 K in transitions with weak to moderate linear electron-phonon coupling strength. The thermal broadening is purely Gaussian in multiphonon transitions (S(2) band of beta-carotene, Soret bands of tetrapyrrolic pigments), and the Lorentz process appears to be suppressed, indicating a lack of exponential dephasing. Density, polarity, polarizability, compressibility, and other local parameters of the pigment binding sites in biologically relevant systems can be deduced from spectroscopic data, provided that sufficient background information is available.

Pigment Spectra and Intermolecular Interaction Potentials in Glasses and Proteins

PubMed Central

Renge, I.; van Grondelle, R.; Dekker, J. P.

2007-01-01

A model is proposed for chromophore optical spectra in solids over a wide range of temperatures and pressures. Inhomogeneous band shapes and their pressure dependence, as well as baric shift coefficients of spectral lines, selected by the frequency, were derived using Lennard-Jones potentials of the ground and excited states. Quadratic electron-phonon coupling constants, describing the thermal shift and broadening of zero-phonon lines, were also calculated. Experimentally, thermal shift and broadening of spectral holes were studied between 5 and 40 K for a synthetic pigment, chlorin, embedded in polymer hosts. The baric effects on holes were determined by applying hydrostatic He gas pressure up to 200 bar, at 6 K. Absorption spectra of pheophytin a, chlorophyll a, and β-carotene in polymers and plant photosystem II CP47 complex were measured between 5 (or 77) and 300 K, and subject to Voigtian deconvolution. A narrowing of inhomogeneous bandwidth with increasing temperature, predicted on the basis of hole behavior, was observed as the shrinking of Gaussian spectral component. The Lorentzian broadening was ascribed to optical dephasing up to 300 K in transitions with weak to moderate linear electron-phonon coupling strength. The thermal broadening is purely Gaussian in multiphonon transitions (S2 band of β-carotene, Soret bands of tetrapyrrolic pigments), and the Lorentz process appears to be suppressed, indicating a lack of exponential dephasing. Density, polarity, polarizability, compressibility, and other local parameters of the pigment binding sites in biologically relevant systems can be deduced from spectroscopic data, provided that sufficient background information is available. PMID:17557783

SO2 Spectroscopy with A Tunable UV Laser

NASA Technical Reports Server (NTRS)

Morey, W. W.; Penney, C. M.; Lapp, M.

1973-01-01

A portion of the fluorescence spectrum of SO2 has been studied using a narrow wavelength doubled dye laser as the exciting source. One purpose of this study is to evaluate the use of SO2 resonance re-emission as a probe of SO2 in the atmosphere. When the SO2 is excited by light at 300.2 nm, for example, a strong reemission peak is observed which is Stokes-shifted from the incident light wavelength by the usual Raman shift (the VI symmetric vibration frequency 1150.5/cm ). The intensity of this peak is sensitive to small changes (.01 nm) in the incident wavelength. Measurements of the N2 quenching and self quenching of this re-emission have been obtained. Preliminary analysis of this data indicates that the quenching is weak but not negligible. The dye laser in our system is pumped by a pulsed N2 laser. Tuning 'and spectral narrowing are accomplished using a telescope-echelle grating combination. In a high power configuration the resulting pulses have a spectral width of about 5 x 10(exp -3) nm and a time duration of about 6 nsec. The echelle grating is rotated by a digital stepping motor, such that each step shifts the wavelength by 6 x 10(exp -4) nm. In addition to the tunable, narrow wavelength uv source and spectral analysis of the consequent re-emission, the system also provides time resolution of the re-emitted light to 6 nsec resolution. This capability is being used to study the lifetime of low pressure S02 fluorescence at different wavelengths and pressures.

Stone former urine proteome demonstrates a cationic shift in protein distribution compared to normal.

PubMed

Kolbach-Mandel, Ann M; Mandel, Neil S; Hoffmann, Brian R; Kleinman, Jack G; Wesson, Jeffrey A

2017-08-01

Many urine proteins are found in calcium oxalate stones, yet decades of research have failed to define the role of urine proteins in stone formation. This urine proteomic study compares the relative amounts of abundant urine proteins between idiopathic calcium oxalate stone forming and non-stone forming (normal) cohorts to identify differences that might correlate with disease. Random mid-morning urine samples were collected following informed consent from 25 stone formers and 14 normal individuals. Proteins were isolated from urine using ultrafiltration. Urine proteomes for each sample were characterized using label-free spectral counting mass spectrometry, so that urine protein relative abundances could be compared between the two populations. A total of 407 unique proteins were identified with the 38 predominant proteins accounting for >82% of all sample spectral counts. The most highly abundant proteins were equivalent in stone formers and normals, though significant differences were observed in a few moderate abundance proteins (immunoglobulins, transferrin, and epidermal growth factor), accounting for 13 and 10% of the spectral counts, respectively. These proteins contributed to a cationic shift in protein distribution in stone formers compared to normals (22% vs. 18%, p = 0.04). Our data showing only small differences in moderate abundance proteins suggest that no single protein controls stone formation. Observed increases in immunoglobulins and transferrin suggest increased inflammatory activity in stone formers, but cannot distinguish cause from effect in stone formation. The observed cationic shift in protein distribution would diminish protein charge stabilization, which could lead to protein aggregation and increased risk for crystal aggregation.

Optical Hilbert transform using fiber Bragg gratings

NASA Astrophysics Data System (ADS)

Ge, Jing; Wang, Chinhua; Zhu, Xiaojun

2010-11-01

In this paper, we demonstrate that a simple and practical phase-shifted fiber Bragg grating (PSFBG) operated in reflection can provide the required spectral response for implementing an all-optical Hilbert transformer (HT), including both integer and fractional orders. The PSFBG consists of two concatenated identical uniform FBGs with a phase shift between them. It can be proved that the phase shift of the FBG and the apodizing profile of the refractive index modulation determine the order of the transform. The device shows a good accuracy in calculating the Hilbert transform of the complex field of an arbitrary input optical waveforms when compared with the theoretical results.

Collisional Shift and Broadening of Iodine Spectral Lines in Air Near 543 nm

NASA Technical Reports Server (NTRS)

Fletcher, D. G.; McDaniel, J. C.

1995-01-01

The collisional processes that influence the absorption of monochromatic light by iodine in air have been investigated. Measurements were made in both a static cell and an underexpanded jet flow over the range of properties encountered in typical compressible-flow aerodynamic applications. Experimentally measured values of the collisional shift and broadening coefficients were 0.058 +/- 0.004 and 0.53 +/- 0.010 GHz K(exp 0.7)/torr, respectively. The measured shift value showed reasonable agreement with theoretical calculations based on Lindholm-Foley collisional theory for a simple dispersive potential. The measured collisional broadening showed less favorable agreement with the calculated value.

The perceptual enhancement of tones by frequency shifts.

PubMed

Demany, Laurent; Carcagno, Samuele; Semal, Catherine

2013-04-01

In a chord of pure tones with a flat spectral profile, one tone can be perceptually enhanced relative to the other tones by the previous presentation of a slightly different chord. "Intensity enhancement" (IE) is obtained when the component tones of the two chords have the same frequencies, but in the first chord the target of enhancement is attenuated relative to the other tones. "Frequency enhancement" (FE) is obtained when both chords have a flat spectral profile, but the target of enhancement shifts in frequency from the first to the second chord. We report here an experiment in which IE and FE were measured using a task requiring the listener to indicate whether or not the second chord included a tone identical to a subsequent probe tone. The results showed that a global attenuation of the first chord relative to the second chord disrupted IE more than FE. This suggests that the mechanisms of IE and FE are not the same. In accordance with this suggestion, computations of the auditory excitation patterns produced by the chords indicate that the mechanism of IE is not sufficient to explain FE for small frequency shifts. Copyright © 2013 Elsevier B.V. All rights reserved.

A two-step method for developing a control rod program for boiling water reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taner, M.S.; Levine, S.H.; Hsiao, M.Y.

1992-01-01

This paper reports on a two-step method that is established for the generation of a long-term control rod program for boiling water reactors (BWRs). The new method assumes a time-variant target power distribution in core depletion. In the new method, the BWR control rod programming is divided into two steps. In step 1, a sequence of optimal, exposure-dependent Haling power distribution profiles is generated, utilizing the spectral shift concept. In step 2, a set of exposure-dependent control rod patterns is developed by using the Haling profiles generated at step 1 as a target. The new method is implemented in amore » computer program named OCTOPUS. The optimization procedure of OCTOPUS is based on the method of approximation programming, in which the SIMULATE-E code is used to determine the nucleonics characteristics of the reactor core state. In a test in cycle length over a time-invariant, target Haling power distribution case because of a moderate application of spectral shift. No thermal limits of the core were violated. The gain in cycle length could be increased further by broadening the extent of the spetral shift.« less

Energy calibration issues in nuclear resonant vibrational spectroscopy: observing small spectral shifts and making fast calibrations.

PubMed

Wang, Hongxin; Yoda, Yoshitaka; Dong, Weibing; Huang, Songping D

2013-09-01

The conventional energy calibration for nuclear resonant vibrational spectroscopy (NRVS) is usually long. Meanwhile, taking NRVS samples out of the cryostat increases the chance of sample damage, which makes it impossible to carry out an energy calibration during one NRVS measurement. In this study, by manipulating the 14.4 keV beam through the main measurement chamber without moving out the NRVS sample, two alternative calibration procedures have been proposed and established: (i) an in situ calibration procedure, which measures the main NRVS sample at stage A and the calibration sample at stage B simultaneously, and calibrates the energies for observing extremely small spectral shifts; for example, the 0.3 meV energy shift between the 100%-(57)Fe-enriched [Fe4S4Cl4](=) and 10%-(57)Fe and 90%-(54)Fe labeled [Fe4S4Cl4](=) has been well resolved; (ii) a quick-switching energy calibration procedure, which reduces each calibration time from 3-4 h to about 30 min. Although the quick-switching calibration is not in situ, it is suitable for normal NRVS measurements.

Non-stationarity and power spectral shifts in EMG activity reflect motor unit recruitment in rat diaphragm muscle.

PubMed

Seven, Yasin B; Mantilla, Carlos B; Zhan, Wen-Zhi; Sieck, Gary C

2013-01-15

We hypothesized that a shift in diaphragm muscle (DIAm) EMG power spectral density (PSD) to higher frequencies reflects recruitment of more fatigable fast-twitch motor units and motor unit recruitment is reflected by EMG non-stationarity. DIAm EMG was recorded in anesthetized rats during eupnea, hypoxia-hypercapnia (10% O(2)-5% CO(2)), airway occlusion, and sneezing (maximal DIAm force). Although power in all frequency bands increased progressively across motor behaviors, PSD centroid frequency increased only during sneezing (p<0.05). The non-stationary period at the onset of EMG activity ranged from ∼80 ms during airway occlusion to ∼150 ms during eupnea. Within the initial non-stationary period of EMG activity 80-95% of motor units were recruited during different motor behaviors. Motor units augmented their discharge frequencies progressively beyond the non-stationary period; yet, EMG signal became stationary. In conclusion, non-stationarity of DIAm EMG reflects the period of motor unit recruitment, while a shift in the PSD towards higher frequencies reflects recruitment of more fatigable fast-twitch motor units. Copyright © 2012 Elsevier B.V. All rights reserved.

Phenytoin-Bovine Serum Albumin interactions - modeling plasma protein - drug binding: A multi-spectroscopy and in silico-based correlation

NASA Astrophysics Data System (ADS)

Suresh, P. K.; Divya, Naik; Nidhi, Shah; Rajasekaran, R.

2018-03-01

The study focused on the analysis of the nature and site of binding of Phenytoin (PHT) -(a model hydrophobic drug) with Bovine Serum Albumin (BSA) (a model protein used as a surrogate for HSA). Interactions with defined amounts of Phenytoin and BSA demonstrated a blue shift (hypsochromic -change in the microenvironment of the tryptophan residue with decrease in the polar environment and more of hydrophobicity) with respect to the albumin protein and a red shift (bathochromic -hydrophobicity and polarity related changes) in the case of the model hydrophobic drug. This shift, albeit lower in magnitude, has been substantiated by a fairly convincing, Phenytoin-mediated quenching of the endogenous fluorophore in BSA. Spectral shifts studied at varying pH, temperatures and incubation periods (at varying concentrations of PHT with a defined/constant BSA concentration) showed no significant differences (data not shown). FTIR analysis provided evidence of the interaction of PHT with BSA with a stretching vibration of 1737.86 cm- 1, apart from the vibrations characteristically associated with the amine and carboxyl groups respectively. Our in vitro findings were extended to molecular docking of BSA with PHT (with the different ionized forms of the drug) and the subsequent LIGPLOT-based analysis. In general, a preponderance of hydrophobic interactions was observed. These hydrophobic interactions corroborate the tryptophan-based spectral shifts and the fluorescence quenching data. These results substantiates our hitherto unreported in vitro/in silico experimental flow and provides a basis for screening other hydrophobic drugs in its class.