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Sample records for 2d ir spectrometer

  1. Selection of the NIR region for a regression model of the ethanol concentration in fermentation process by an online NIR and mid-IR dual-region spectrometer and 2D heterospectral correlation spectroscopy.

    PubMed

    Nishii, Takashi; Genkawa, Takuma; Watari, Masahiro; Ozaki, Yukihiro

    2012-01-01

    A new selection procedure of an informative near-infrared (NIR) region for regression model building is proposed that uses an online NIR/mid-infrared (mid-IR) dual-region spectrometer in conjunction with two-dimensional (2D) NIR/mid-IR heterospectral correlation spectroscopy. In this procedure, both NIR and mid-IR spectra of a liquid sample are acquired sequentially during a reaction process using the NIR/mid-IR dual-region spectrometer; the 2D NIR/mid-IR heterospectral correlation spectrum is subsequently calculated from the obtained spectral data set. From the calculated 2D spectrum, a NIR region is selected that includes bands of high positive correlation intensity with mid-IR bands assigned to the analyte, and used for the construction of a regression model. To evaluate the performance of this procedure, a partial least-squares (PLS) regression model of the ethanol concentration in a fermentation process was constructed. During fermentation, NIR/mid-IR spectra in the 10000 - 1200 cm(-1) region were acquired every 3 min, and a 2D NIR/mid-IR heterospectral correlation spectrum was calculated to investigate the correlation intensity between the NIR and mid-IR bands. NIR regions that include bands at 4343, 4416, 5778, 5904, and 5955 cm(-1), which result from the combinations and overtones of the C-H group of ethanol, were selected for use in the PLS regression models, by taking the correlation intensity of a mid-IR band at 2985 cm(-1) arising from the CH(3) asymmetric stretching vibration mode of ethanol as a reference. The predicted results indicate that the ethanol concentrations calculated from the PLS regression models fit well to those obtained by high-performance liquid chromatography. Thus, it can be concluded that the selection procedure using the NIR/mid-IR dual-region spectrometer combined with 2D NIR/mid-IR heterospectral correlation spectroscopy is a powerful method for the construction of a reliable regression model.

  2. How to turn your pump–probe instrument into a multidimensional spectrometer: 2D IR and Vis spectroscopies via pulse shaping

    PubMed Central

    Shim, Sang-Hee; Zanni, Martin T.

    2010-01-01

    We have recently developed a new and simple way of collecting 2D infrared and visible spectra that utilizes a pulse shaper and a partly collinear beam geometry. 2D IR and Vis spectroscopies are powerful tools for studying molecular structures and their dynamics. They can be used to correlate vibrational or electronic eigenstates, measure energy transfer rates, and quantify the dynamics of lineshapes, for instance, all with femtosecond time-resolution. As a result, they are finding use in systems that exhibit fast dynamics, such as sub-millisecond chemical and biological dynamics, and in hard-to-study environments, such as in membranes. While powerful, these techniques have been difficult to implement because they require a series of femtosecond pulses to be spatially and temporally overlapped with precise time-resolution and interferometric phase stability. However, many of the difficulties associated with implementing 2D spectroscopies are eliminated by using a pulse shaper and a simple beam geometry, which substantially lowers the technical barriers required for researchers to enter this exciting field while simultaneously providing many new capabilities. The aim of this paper is to provide an overview of the methods for collecting 2D spectra so that an outsider considering using 2D spectroscopy in their own research can judge which approach would be most suitable for their research aims. This paper focuses primarily on 2D IR spectroscopy, but also includes our recent work on adapting this technology to collecting 2D Vis spectra. We review work that has already been published as well as cover several topics that we have not reported previously, including phase cycling methods to remove background signals, eliminate unwanted scatter, and shift data collection into the rotating frame. PMID:19290321

  3. 2D IR spectroscopy at 100 kHz utilizing a Mid-IR OPCPA laser source.

    PubMed

    Luther, Bradley M; Tracy, Kathryn M; Gerrity, Michael; Brown, Susannah; Krummel, Amber T

    2016-02-22

    We present a 100 kHz 2D IR spectrometer. The system utilizes a ytterbium all normal dispersion fiber oscillator as a common source for the pump and seed beams of a MgO:PPLN OPCPA. The 1030 nm OPCPA pump is generated by amplification of the oscillator in cryocooled Yb:YAG amplifiers, while the 1.68 μm seed is generated in a OPO pumped by the oscillator. The OPCPA outputs are used in a ZGP DFG stage to generate 4.65 μm pulses. A mid-IR pulse shaper delivers pulse pairs to a 2D IR spectrometer allowing for data collection at 100 kHz.

  4. Imaging IR spectrometer, phase 2

    NASA Technical Reports Server (NTRS)

    Gradie, Jonathan; Lewis, Ralph; Lundeen, Thomas; Wang, Shu-I

    1990-01-01

    The development is examined of a prototype multi-channel infrared imaging spectrometer. The design, construction and preliminary performance is described. This instrument is intended for use with JPL Table Mountain telescope as well as the 88 inch UH telescope on Mauna Kea. The instrument is capable of sampling simultaneously the spectral region of 0.9 to 2.6 um at an average spectral resolution of 1 percent using a cooled (77 K) optical bench, a concave holographic grating and a special order sorting filter to allow the acquisition of the full spectral range on a 128 x 128 HgCdTe infrared detector array. The field of view of the spectrometer is 0.5 arcsec/pixel in mapping mode and designed to be 5 arcsec/pixel in spot mode. The innovative optical design has resulted in a small, transportable spectrometer, capable of remote operation. Commercial applications of this spectrometer design include remote sensing from both space and aircraft platforms as well as groundbased astronomical observations.

  5. Residue-Specific Structural Kinetics of Proteins through the Union of Isotope Labeling, Mid-IR Pulse Shaping, and Coherent 2D IR Spectroscopy

    PubMed Central

    Middleton, Chris T.; Woys, Ann Marie; Mukherjee, Sudipta S.; Zanni, Martin T.

    2010-01-01

    We describe a methodology for studying protein kinetics using a rapid-scan technology for collecting 2D IR spectra. In conjunction with isotope labeling, 2D IR spectroscopy is able to probe the secondary structure and environment of individual residues in polypeptides and proteins. It is particularly useful for membrane and aggregate proteins. Our rapid-scan technology relies on a mid-IR pulse shaper that computer generates the pulse shapes, much like in an NMR spectrometer. With this device, data collection is faster, easier, and more accurate. We describe our 2D IR spectrometer, as well as protocols for 13C=18O isotope labeling, and then illustrate the technique with an application to the aggregation of the human islet amyloid polypeptide form type 2 diabetes. PMID:20472067

  6. First: Florida Ir Silicon Immersion Grating Spectrometer

    NASA Astrophysics Data System (ADS)

    Ge, Jian; Zhao, B.; Wang, J.; Wan, X.; Powell, S.

    2012-01-01

    The FIRST silicon immersion grating spectrometer is being developed at UF to search for habitable Earth-like planets around M dwarfs and giant planets around young active stars. This compact cryogenic IR instrument is designed to have a spectral resolution of R=72,000 at 1.4-1.8 µm with a silicon immersion grating and R=60K at 0.8-1.35 µm with an R4 echelle. The goal is to reach a long term Doppler precision of 1-3 m/s for bright M dwarfs. The FIRST silicon immersion grating, with 54.74 degree blaze angle and 16 l/mm groove density, has been fully characterized in the lab. The 50x50 mm square grating entrance pupil is coated with a single layer of anti-reflection coating resulting in a 2.1% measured reflection loss. The grating surface was coated with a gold layer to increase grating surface reflectivity. It has produced R=110,000 diffraction limited spectral resolution at 1.523 micron in a lab test spectrograph with 20 mm pupil diameter. The integrated scattered light is less than 0.2\\% and grating has no visible ghosts down to the measuring instrument noise level. The grating efficiency is 69\\% at the peak of the blaze. This silicon immersion grating is ready for scientific observations with FIRST. FIRST is scheduled to be integrated in the lab during the spring of 2012 and see the first light at an astronomical telescope (TBD) the summer of 2012.

  7. ARO Research Instrumentation Program - IR Spectrometer Procurement

    DTIC Science & Technology

    2015-11-01

    via simultaneous electrochemical and spectroscopic studies. These studies are enabling us to understanding the microscopic (molecular and ionic...program. The instrument is being utilized to characterize ionic liquid-based (IL-based) electrolyte systems via simultaneous electrochemical and...spectrometer has been synchronized with a potentiostat to perform surface enhanced infrared absorption (SEIRA) spectroscopy during electrochemical

  8. IR spectrometers for Venus and Mars measurements

    NASA Astrophysics Data System (ADS)

    Drummond, Rachel; Neefs, Eddy; Vandaele, Ann C.

    2012-07-01

    The SOIR spectrometer [1] is an infra-red spectrometer that has performed over 500 solar occultation measurements of the Venus atmosphere, profiling major and minor constituents and studying aerosol absorption, temperature and pressure effects. NOMAD is a 3-channel spectrometer for Mars occultation, limb and nadir measurements. 2 channels are infra-red, the other UV-visible. We will present the technology that enables SOIR and NOMAD to get to parts per billion mixing ratio sensitivities for trace atmospheric components and highlight the improvements made to the SOIR design to enable nadir viewing with NOMAD. Key components include the Acousto-Optical Tunable Filter with radio frequency driver that allows these spectrometers to select the wavelength domain under observation with no need for mechanical moving parts. It also allows background measurements because it is opaque when no RF is applied. The grating with 4 grooves/mm is a very hard to manufacture optical component, and suppliers were very difficult to find. The detector-cooler combination (working at 90K) is from Sofradir/Ricor and the model on board Venus Express is still working after 6 years in space (more on/off cycles that ON hour lifetime problem). The detector MCT mix is slightly altered for nadir observation, in order to reduce thermal background noise and the nadir channel spectrometer is cooled down to 173K by a large V-groove radiator. All the optical components have been enlarged to maximise signal throughput and the slit (that determines spatial and spectral resolution) has also been increased. The spacecraft attitude control system switches from yaw steering for nadir to inertial pointing for solar occultations. 1. Nevejans, D., E. Neefs, E. Van Ransbeeck, S. Berkenbosch, R. Clairquin, L. De Vos, W. Moelans, S. Glorieux, A. Baeke, O. Korablev, I. Vinogradov, Y. Kalinnikov, B. Bach, J.P. Dubois, and E. Villard, Compact high-resolution space-borne echelle grating spectrometer with AOTF based on

  9. Discrimination of five species of Fritillaria and its extracts by FT-IR and 2D-IR

    NASA Astrophysics Data System (ADS)

    Li, Dan; Jin, Zhexiong; Zhou, Qun; Chen, Jianbo; Lei, Yu; Sun, Suqin

    2010-06-01

    Bulbus Fritillariae (in Chinese named Beimu), referred to the bulbs of several Fritillaria species ( Liliaceae), is a commonly used anti-tussive and expectorant herb in traditional Chinese medicine (TCM) for more than 2000 years. The objective of this study is to discriminate five species of Beimu herbs and their total alkaloid extracts by Fourier transform infrared spectroscopy (FT-IR), second derivative infrared spectroscopy, and two-dimensional correlation infrared spectroscopy (2D-IR) under thermal perturbation. The structural information of the samples indicated that, Beimu and their extract residues contain a large amount of starch, since some characteristic absorption peaks of the starch, such as 1158, 1080, 1015 and 987 cm -1 can be observed. Further more, the characteristic absorption peaks of the sulfate which arouse at 1120 ± 5 and 618 cm -1 in the IR spectra of Beimu aqueous extracts can be find. This validated that people used the sulfur fumigation method in the processing. The macroscopical fingerprint characters of FT-IR and 2D-IR spectra can not only provide the information of main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research.

  10. [Study on the processing of leech by FTIR and 2D-IR correlation spectroscopy].

    PubMed

    Li, Bing-Ning; Wu, Yan-Wen; Ouyang, Jie; Sun, Su-Qin; Chen, Shun-Cong

    2011-04-01

    The chemical differences of traditional Chinese medicine leech before and after processing were analyzed by FTIR and two-dimensional correlation infrared (2D-IR) spectroscopy. The result showed that the leech was high in protein, with characteristic peaks of amide I, II bands. Comparing the IR spectra of samples, the primary difference was that the characteristic peak of fresh leech was at 1 543 cm(-1), while that of crude and processed leech was at 1 535 cm(-1). A 2D-IR spectrum with heating perturbation was used to track the processing dynamics of leech In the 2D-IR correlation spectra, fresh leech exhibited stronger automatic peaks of the amide I and II bands than that of processed leech, which indicates that the protein components of the fresh leech were more sensitive to heat perturbation than the processed one. Moreover, the result of FTIR and 2D-IR correlation spectra validated that the 3-dimensional structure of protein was damaged and hydrogen bonds were broken after processing, which resulted in the inactivation of protein. The fatty acids and cholesterol components of leech were also oxidized in this process.

  11. Interrogating Fiber Formation Kinetics with Automated 2D-IR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Strasfeld, David B.; Ling, Yun L.; Shim, Sang-Hee; Zanni, Martin T.

    A new method for collecting 2D-IR spectra that utilizes both a pump-probe beam geometry and a mid-IR pulse shaper is used to gain a fuller understanding of fiber formation in the human islet amyloid polypeptide (hIAPP). We extract structural kinetics in order to better understand aggregation in hIAPP, the protein component of the amyloid fibers found to inhibit insulin production in type II diabetes patients.

  12. IR Spectrometer Using 90-degree Off-axis Parabolic Mirrors

    SciTech Connect

    Robert M. Malone, Richard, G. Hacking, Ian J. McKenna, and Daniel H. Dolan

    2008-09-02

    A gated spectrometer has been designed for real-time, pulsed infrared (IR) studies at the National Synchrotron Light ource at the Brookhaven National Laboratory. A pair of 90-degree, off-axis parabolic mirrors are used to relay the light from an entrance slit to an output IR recording camera. With an initial wavelength range of 1500–4500 nm required, gratings could not be used in the spectrometer because grating orders would overlap. A magnesium oxide prism, placed between these parabolic mirrors, serves as the dispersion element. The spectrometer is doubly telecentric. With proper choice of the air spacing between the prism and the second parabolic mirror, any spectral region of interest within the InSb camera array’s sensitivity region can be recorded. The wavelengths leaving the second parabolic mirror are collimated, thereby relaxing the camera positioning tolerance. To set up the instrument, two different wavelength (visible) lasers are introduced at the entrance slit and made collinear with the optical axis via flip mirrors. After dispersion by the prism, these two laser beams are directed to tick marks located on the outside housing of the gated IR camera. This provides first-order wavelength calibration for the instrument. Light that is reflected off the front prism face is coupled into a high-speed detector to verify steady radiance during the gated spectral imaging. Alignment features include tick marks on the prism and parabolic mirrors. This instrument was designed to complement singlepoint pyrometry, which provides continuous time histories of a small collection of spots from shock-heated targets.

  13. IR spectrometer using 90-degree off-axis parabolic mirrors

    NASA Astrophysics Data System (ADS)

    Malone, Robert M.; Dolan, Daniel H.; Hacking, Richard G.; McKenna, Ian J.

    2008-08-01

    A gated spectrometer has been designed for real-time, pulsed infrared (IR) studies at the National Synchrotron Light Source at the Brookhaven National Laboratory. A pair of 90-degree, off-axis parabolic mirrors are used to relay the light from an entrance slit to an output IR recording camera. With an initial wavelength range of 1500-4500 nm required, gratings could not be used in the spectrometer because grating orders would overlap. A magnesium oxide prism, placed between these parabolic mirrors, serves as the dispersion element. The spectrometer is doubly telecentric. With proper choice of the air spacing between the prism and the second parabolic mirror, any spectral region of interest within the InSb camera array's sensitivity region can be recorded. The wavelengths leaving the second parabolic mirror are collimated, thereby relaxing the camera positioning tolerance. To set up the instrument, two different wavelength (visible) lasers are introduced at the entrance slit and made collinear with the optical axis via flip mirrors. After dispersion by the prism, these two laser beams are directed to tick marks located on the outside housing of the gated IR camera. This provides first-order wavelength calibration for the instrument. Light that is reflected off the front prism face is coupled into a high-speed detector to verify steady radiance during the gated spectral imaging. Alignment features include tick marks on the prism and parabolic mirrors. This instrument was designed to complement singlepoint pyrometry, which provides continuous time histories of a small collection of spots from shock-heated targets.

  14. Rapid discrimination of extracts of Chinese propolis and poplar buds by FT-IR and 2D IR correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Wu, Yan-Wen; Sun, Su-Qin; Zhao, Jing; Li, Yi; Zhou, Qun

    2008-07-01

    The extract of Chinese propolis (ECP) has recently been adulterated with that of poplar buds (EPB), because most of ECP is derived from the poplar plant, and ECP and EPB have almost identical chemical compositions. It is very difficult to differentiate them by using the chromatographic methods such as high performance liquid chromatography (HPLC) and gas chromatography (GC). Therefore, how to effectively discriminate these two mixtures is a problem to be solved urgently. In this paper, a rapid method for discriminating ECP and EPB was established by the Fourier transform infrared (FT-IR) spectra combined with the two-dimensional infrared correlation (2D IR) analysis. Forty-three ECP and five EPB samples collected from different areas of China were analyzed by the FT-IR spectroscopy. All the ECP and EPB samples tested show similar IR spectral profiles. The significant differences between ECP and EPB appear in the region of 3000-2800 cm -1 of the spectra. Based on such differences, the two species were successfully classified with the soft independent modeling of class analogy (SIMCA) pattern recognition technique. Furthermore, these differences were well validated by a series of temperature-dependent dynamic FT-IR spectra and the corresponding 2D IR plots. The results indicate that the differences in these two natural products are caused by the amounts of long-chain alkyl compounds (including long-chain alkanes, long-chain alkyl esters and long chain alkyl alcohols) in them, rather than the flavonoid compounds, generally recognized as the bioactive substances of propolis. There are much more long-chain alkyl compounds in ECP than those in EPB, and the carbon atoms of the compounds in ECP remain in an order Z-shaped array, but those in EPB are disorder. It suggests that FT-IR and 2D IR spectroscopy can provide a valuable method for the rapid differentiation of similar natural products, ECP and EPB. The IR spectra could directly reflect the integrated chemical

  15. Miniaturized FT-IR spectrometer for industrial process measurements

    NASA Astrophysics Data System (ADS)

    Herrala, Esko; Niemela, Pentti; Hannula, Tapio

    1990-08-01

    There have been made some attempts to transfer the advantages of FT-JR to industrial use. Commercially available research grade instruments have been large and rather expensive. However in many potential applications only medium resolution is required which means that the mirror displacement in a Michelson type interferometer remains short and computation of the Fourier transform can be executed by a small computer. Medium resolution gives also other advantages in spectrometer design simple source and detector optics less severe requirements for mirror transport and small size. We have used a Michelson type interferometer where the moving mirror is suspended by two flexures and driven by a coil actuator. Displacement of the mirror is monitored using moire transducer which is much smaller and has better thermal stability than the conventionally used HeNe laser. The beamsplitter is a standard CaF2/Si and a thermoelectrically cooled PbSe is used as the detector. In the present prototype data is transferred via parallel bus to a PC/AT compatible computer where the necessary mathematics is done. The spectral range is from 5000 to 1800 cm1 with resolution better than 8 cm1. Interferograins can be recorded several times per second and the computation time for a 2000 point spectrum is 10 seconds. Results of environmental tests carried out for the spectrometer will be presented. The results show that it is possible to construct a simple rugged and inexpensive FT-IR spectrometer

  16. IR Spectrometer Using 90-Degree Off-Axis Parabolic Mirrors

    SciTech Connect

    Robert M. Malone, Ian J. McKenna

    2008-03-01

    A gated spectrometer has been designed for real-time, pulsed infrared (IR) studies at the National Synchrotron Light Source at the Brookhaven National Laboratory. A pair of 90-degree, off-axis parabolic mirrors are used to relay the light from an entrance slit to an output recording camera. With an initial wavelength range of 1500–4500 nm required, gratings could not be used in the spectrometer because grating orders would overlap. A magnesium oxide prism, placed between these parabolic mirrors, serves as the dispersion element. The spectrometer is doubly telecentric. With proper choice of the air spacing between the prism and the second parabolic mirror, any spectral region of interest within the InSb camera array’s sensitivity region can be recorded. The wavelengths leaving the second parabolic mirror are collimated, thereby relaxing the camera positioning tolerance. To set up the instrument, two different wavelength (visible) lasers are introduced at the entrance slit and made collinear with the optical axis via flip mirrors. After dispersion by the prism, these two laser beams are directed to tick marks located on the outside housing of the gated IR camera. This provides first-order wavelength calibration for the instrument. Light that is reflected off the front prism face is coupled into a high-speed detector to verify steady radiance during the gated spectral imaging. Alignment features include tick marks on the prism and parabolic mirrors. This instrument was designed to complement single-point pyrometry, which provides continuous time histories of a small collection of spots from shock-heated targets.

  17. Dye aggregation identified by vibrational coupling using 2D IR spectroscopy

    SciTech Connect

    Oudenhoven, Tracey A.; Laaser, Jennifer E.; Zanni, Martin T.; Joo, Yongho; Gopalan, Padma

    2015-06-07

    We report that a model dye, Re(CO){sub 3}(bypy)CO{sub 2}H, aggregates into clusters on TiO{sub 2} nanoparticles regardless of our preparation conditions. Using two-dimensional infrared (2D IR) spectroscopy, we have identified characteristic frequencies of monomers, dimers, and trimers. A comparison of 2D IR spectra in solution versus those deposited on TiO{sub 2} shows that the propensity to dimerize in solution leads to higher dimer formation on TiO{sub 2}, but that dimers are formed even if there are only monomers in solution. Aggregates cannot be washed off with standard protocols and are present even at submonolayer coverages. We observe cross peaks between aggregates of different sizes, primarily dimers and trimers, indicating that clusters consist of microdomains in close proximity. 2D IR spectroscopy is used to draw these conclusions from measurements of vibrational couplings, but if molecules are close enough to be vibrationally coupled, then they are also likely to be electronically coupled, which could alter charge transfer.

  18. Folding of a heterogeneous β-hairpin peptide from temperature-jump 2D IR spectroscopy

    PubMed Central

    Jones, Kevin C.; Peng, Chunte Sam; Tokmakoff, Andrei

    2013-01-01

    We provide a time- and structure-resolved characterization of the folding of the heterogeneous β-hairpin peptide Tryptophan Zipper 2 (Trpzip2) using 2D IR spectroscopy. The amide I′ vibrations of three Trpzip2 isotopologues are used as a local probe of the midstrand contacts, β-turn, and overall β-sheet content. Our experiments distinguish between a folded state with a type I′ β-turn and a misfolded state with a bulged turn, providing evidence for distinct conformations of the peptide backbone. Transient 2D IR spectroscopy at 45 °C following a laser temperature jump tracks the nanosecond and microsecond kinetics of unfolding and the exchange between conformers. Hydrogen bonds to the peptide backbone are loosened rapidly compared with the 5-ns temperature jump. Subsequently, all relaxation kinetics are characterized by an observed 1.2 ± 0.2-μs exponential. Our time-dependent 2D IR spectra are explained in terms of folding of either native or nonnative contacts from a common compact disordered state. Conversion from the disordered state to the folded state is consistent with a zip-out folding mechanism. PMID:23382249

  19. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.

    PubMed

    Deflores, Lauren P; Ganim, Ziad; Nicodemus, Rebecca A; Tokmakoff, Andrei

    2009-03-11

    We demonstrate how multimode 2D IR spectroscopy of the protein amide I' and II' vibrations can be used to distinguish protein secondary structure. Polarization-dependent amide I'-II' 2D IR experiments on poly-l-lysine in the beta-sheet, alpha-helix, and random coil conformations show that a combination of amide I' and II' diagonal and cross peaks can effectively distinguish between secondary structural content, where amide I' infrared spectroscopy alone cannot. The enhanced sensitivity arises from frequency and amplitude correlations between amide II' and amide I' spectra that reflect the symmetry of secondary structures. 2D IR surfaces are used to parametrize an excitonic model for the amide I'-II' manifold suitable to predict protein amide I'-II' spectra. This model reveals that the dominant vibrational interaction contributing to this sensitivity is a combination of negative amide II'-II' through-bond coupling and amide I'-II' coupling within the peptide unit. The empirically determined amide II'-II' couplings do not significantly vary with secondary structure: -8.5 cm(-1) for the beta sheet, -8.7 cm(-1) for the alpha helix, and -5 cm(-1) for the coil.

  20. Probing Spatio-Temporal Correlation in Complex Aqueous Systems through 2D-IR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bagchi, Biman; Biswas, Rajib; Samanta, Tuhin; Ghosh, Rikhia; Roy, Susmita

    2015-03-01

    Heterogeneity is ubiquitous in aqueous solutions, e.g., in protein and DNA solutions, micelles and reverse micelles, density fluctuations during phase transitions (e,g., water to ice). Origin of heterogeneity can be diverse, sometimes stimulated by external biomolecular subsystems (proteins, DNA, lipids), nanoscopic materials etc, but may also be intrinsic to the thermodynamic nature of the aqueous solution itself. The altered dynamics of water in presence of such diverse surfaces have attracted considerable attention in recent years. However, efficiently capturing the length and timescale of heterogeneous dynamics of water is indeed a challenging task. Recent development of two dimensional infra-red (2D-IR) allows us to estimate length and time scales of such dynamics fairly accurately. In this work, we present a series of interesting studies employing two dimensional infra-red spectroscopy (2D-IR) to investigate (i) dynamics of water inside reverse micelles of varying sizes, (ii) supercritical water near the Widom line that is known to exhibit pronounced density fluctuation and calculate. The respective studies reveal a number of interesting facts. Spatio-temporal correlation of water dynamics with varying size of reverse micelles is well captured through the spectral diffusion of corresponding 2D-IR spectra. In case of supercritical water also, we observe strong signature of dynamic heterogeneity from the elongated nature of the spectra.

  1. Cosolvent Effects on Solute-Solvent Hydrogen-Bond Dynamics: Ultrafast 2D IR Investigations.

    PubMed

    Kashid, Somnath M; Jin, Geun Young; Bagchi, Sayan; Kim, Yung Sam

    2015-12-10

    Cosolvents strongly influence the solute-solvent interactions of biomolecules in aqueous environments and have profound effects on the stability and activity of several proteins and enzymes. Experimental studies have previously reported on the hydrogen-bond dynamics of water molecules in the presence of a cosolvent, but understanding the effects from a solute's perspective could provide greater insight into protein stability. Because carbonyl groups are abundant in biomolecules, the current study used 2D IR spectroscopy and molecular dynamics simulations to compare the hydrogen-bond dynamics of the solute's carbonyl group in aqueous solution, with and without the presence of DMSO as a cosolvent. 2D IR spectroscopy was used to quantitatively estimate the time scales of the hydrogen-bond dynamics of the carbonyl group in neat water and 1:1 DMSO/water solution. The 2D IR results show spectral signatures of a chemical exchange process: The presence of the cosolvent was found to lower the hydrogen-bond exchange rate by a factor of 5. The measured exchange rates were 7.50 × 10(11) and 1.48 × 10(11) s(-1) in neat water and 1:1 DMSO/water, respectively. Molecular dynamics simulations predict a significantly shorter carbonyl hydrogen-bond lifetime in neat water than in 1:1 DMSO/water and provide molecular insights into the exchange mechanism. The binding of the cosolvent to the solute was found to be accompanied by the release of hydrogen-bonded water molecules to the bulk. The widely different hydrogen-bond lifetimes and exchange rates with and without DMSO indicate a significant change in the ultrafast hydrogen-bond dynamics in the presence of a cosolvent, which, in turn, might play an important role in the stability and activity of biomolecules.

  2. 2D IR spectra of cyanide in water investigated by molecular dynamics simulations

    USGS Publications Warehouse

    Lee, Myung Won; Carr, Joshua K.; Göllner, Michael; Hamm, Peter; Meuwly, Markus

    2013-01-01

    Using classical molecular dynamics simulations, the 2D infrared (IR) spectroscopy of CN− solvated in D2O is investigated. Depending on the force field parametrizations, most of which are based on multipolar interactions for the CN− molecule, the frequency-frequency correlation function and observables computed from it differ. Most notably, models based on multipoles for CN− and TIP3P for water yield quantitatively correct results when compared with experiments. Furthermore, the recent finding that T 1 times are sensitive to the van der Waals ranges on the CN− is confirmed in the present study. For the linear IR spectrum, the best model reproduces the full widths at half maximum almost quantitatively (13.0 cm−1 vs. 14.9 cm−1) if the rotational contribution to the linewidth is included. Without the rotational contribution, the lines are too narrow by about a factor of two, which agrees with Raman and IR experiments. The computed and experimental tilt angles (or nodal slopes) α as a function of the 2D IR waiting time compare favorably with the measured ones and the frequency fluctuation correlation function is invariably found to contain three time scales: a sub-ps, 1 ps, and one on the 10-ps time scale. These time scales are discussed in terms of the structural dynamics of the surrounding solvent and it is found that the longest time scale (≈10 ps) most likely corresponds to solvent exchange between the first and second solvation shell, in agreement with interpretations from nuclear magnetic resonance measurements.

  3. Breath testing with a mid-IR laser spectrometer

    NASA Astrophysics Data System (ADS)

    Namjou, Khosrow; McCann, Patrick J.; Potter, William T.

    1999-10-01

    A mid-IR tunable diode laser absorption spectrometer (TDLAS) equipped with a multiple-pass gas cell was used to measure breath samples from a number of student volunteers at the University of Oklahoma. Test subjects included one to two pack-a-day cigarette smokers and non-smokers. The concentrations of four different molecules, N2O, 12CO2, 13CO2 and CO, were measured by each laser scan in the 2206.1 cm-1 to 2207 cm-1 spectral range. The average concentration of nitrous oxide (N2O) increased slightly for smokers versus non-smokers and was generally higher (12%) than the approximately 255 ppm concentration measured in ambient air. Carbon monoxide concentrations, however, were much higher in breath samples from cigarette smokers. Ambient concentrations of carbon monoxide, approximately 0.4 ppm, increased from approximately 1.0 ppm in non-smokers to levels over 13.4 ppm in smokers. These measurements provide clear evidence of the well-known effect that cigarette smoking has on replacing oxygen with carbon monoxide in human hemoglobin. Carbon dioxide concentrations of smokers were generally decreased by approximately 12%. Mid-IR laser measurements also provided 13CO2/12CO2 isotope ratio values, and smokers had a approximately 30% greater concentration of isotopic 13C in their breath. The possible mechanisms for 13CO2 isotopic increases are at present unknown. Overall, long-path TDL spectroscopy of exhalation products is a uniquely powerful tool. The TDL systems can be used for noninvasive diagnosis of a wide range of metabolisms and pathologies.

  4. Determining Transition State Geometries in Liquids Using 2D-IR

    SciTech Connect

    Harris, Charles; Cahoon, James F.; Sawyer, Karma R.; Schlegel, Jacob P.; Harris, Charles B.

    2007-12-11

    Many properties of chemical reactions are determined by the transition state connecting reactant and product, yet it is difficult to directly obtain any information about these short-lived structures in liquids. We show that two-dimensional infrared (2D-IR) spectroscopy can provide direct information about transition states by tracking the transformation of vibrational modes as a molecule crossed a transition state. We successfully monitored a simple chemical reaction, the fluxional rearrangement of Fe(CO)5, in which the exchange of axial and equatorial CO ligands causes an exchange of vibrational energy between the normal modes of the molecule. This energy transfer provides direct evidence regarding the time scale, transition state, and mechanism of the reaction.

  5. Study on antibacterial alginate-stabilized copper nanoparticles by FT-IR and 2D-IR correlation spectroscopy

    PubMed Central

    Díaz-Visurraga, Judith; Daza, Carla; Pozo, Claudio; Becerra, Abraham; von Plessing, Carlos; García, Apolinaria

    2012-01-01

    Background The objective of this study was to clarify the intermolecular interaction between antibacterial copper nanoparticles (Cu NPs) and sodium alginate (NaAlg) by Fourier transform infrared spectroscopy (FT-IR) and to process the spectra applying two-dimensional infrared (2D-IR) correlation analysis. To our knowledge, the addition of NaAlg as a stabilizer of copper nanoparticles has not been previously reported. It is expected that the obtained results will provide valuable additional information on: (1) the influence of reducing agent ratio on the formation of copper nanoparticles in order to design functional nanomaterials with increased antibacterial activity, and (2) structural changes related to the incorporation of Cu NPs into the polymer matrix. Methods Cu NPs were prepared by microwave heating using ascorbic acid as reducing agent and NaAlg as stabilizing agent. The characterization of synthesized Cu NPs by ultraviolet visible spectroscopy, transmission electron microscopy (TEM), electron diffraction analysis, X-ray diffraction (XRD), and semiquantitative analysis of the weight percentage composition indicated that the average particle sizes of Cu NPs are about 3–10 nm, they are spherical in shape, and consist of zerovalent Cu and Cu2O. Also, crystallite size and relative particle size of stabilized Cu NPs were calculated by XRD using Scherrer’s formula and FT from the X-ray diffraction data. Thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry (DSC), FT-IR, second-derivative spectra, and 2D-IR correlation analysis were applied to studying the stabilization mechanism of Cu NPs by NaAlg molecules. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of stabilized Cu NPs against five bacterial strains (Staphylococccus aureus ATCC 6538P, Escherichia coli ATCC 25922 and O157: H7, and Salmonella enterica serovar Typhimurium ATCC 13311 and 14028) were evaluated with macrodilution

  6. Laser Absorption spectrometer instrument for tomographic 2D-measurement of climate gas emission from soils

    NASA Astrophysics Data System (ADS)

    Seidel, Anne; Wagner, Steven; Dreizler, Andreas; Ebert, Volker

    2014-05-01

    One of the most intricate effects in climate modelling is the role of permafrost thawing during the global warming process. Soil that has formerly never totally lost its ice cover now emits climate gases due to melting processes[1]. For a better prediction of climate development and possible feedback mechanisms, insights into physical procedures (like e.g. gas emission from underground reservoirs) are required[2]. Therefore, a long-term quantification of greenhouse gas concentrations (and further on fluxes) is necessary and the related structures that are responsible for emission need to be identified. In particular the spatial heterogeneity of soils caused by soil internal structures (e.g. soil composition changes or surface cracks) or by surface modifications (e.g. by plant growth) generate considerable complexities and difficulties for local measurements, for example with soil chambers. For such situations, which often cannot be avoided, a spatially resolved 2D-measurement to identify and quantify the gas emission from the structured soil would be needed, to better understand the influence of the soil sub-structures on the emission behavior. Thus we designed a spatially scanning laser absorption spectrometer setup to determine a 2D-gas concentration map in the soil-air boundary layer. The setup is designed to cover the surfaces in the range of square meters in a horizontal plane above the soil to be investigated. Existing field instruments for gas concentration or flux measurements are based on point-wise measurements, so structure identification is very tedious or even impossible. For this reason, we have developed a tomographic in-situ instrument based on TDLAS ('tunable diode laser absorption spectroscopy') that delivers absolute gas concentration distributions of areas with 0.8m × 0.8m size, without any need for reference measurements with a calibration gas. It is a simple and robust device based on a combination of scanning mirrors and reflecting foils, so

  7. Anharmonic vibrational modes of nucleic acid bases revealed by 2D IR spectroscopy.

    PubMed

    Peng, Chunte Sam; Jones, Kevin C; Tokmakoff, Andrei

    2011-10-05

    Polarization-dependent two-dimensional infrared (2D IR) spectra of the purine and pyrimadine base vibrations of five nucleotide monophosphates (NMPs) were acquired in D(2)O at neutral pH in the frequency range 1500-1700 cm(-1). The distinctive cross-peaks between the ring deformations and carbonyl stretches of NMPs indicate that these vibrational modes are highly coupled, in contrast with the traditional peak assignment, which is based on a simple local mode picture such as C═O, C═N, and C═C double bond stretches. A model of multiple anharmonically coupled oscillators was employed to characterize the transition energies, vibrational anharmonicities and couplings, and transition dipole strengths and orientations. No simple or intuitive structural correlations are found to readily assign the spectral features, except in the case of guanine and cytosine, which contain a single local CO stretching mode. To help interpret the nature of these vibrational modes, we performed density functional theory (DFT) calculations and found that multiple ring vibrations are coupled and delocalized over the purine and pyrimidine rings. Generally, there is close correspondence between the experimental and computational results, provided that the DFT calculations include explicit waters solvating hydrogen-bonding sites. These results provide direct experimental evidence of the delocalized nature of the nucleotide base vibrations via a nonperturbative fashion and will serve as building blocks for constructing a structure-based model of DNA and RNA vibrational spectroscopy.

  8. Phase-Resolved Heterodyne-Detected Transient Grating Enhances the Capabilities of 2D IR Echo Spectroscopy.

    PubMed

    Jin, Geun Young; Kim, Yung Sam

    2017-02-09

    2D IR echo spectroscopy, with high sensitivity and femtosecond time resolution, enables us to understand structure and ultrafast dynamics of molecular systems. Application of this experimental technique on weakly absorbing samples, however, had been limited by the precise and unambiguous phase determination of the echo signals. In this study, we propose a new experimental scheme that significantly increases the phase stability of the involved IR pulses. We have demonstrated that the incorporation of phase-resolved heterodyne-detected transient grating (PR-HDTG) spectroscopy greatly enhances the capabilities of 2D IR spectroscopy. The new experimental scheme has been used to obtain 2D IR spectra on weakly absorbing azide ions (N3(-)) in H2O (absorbance ∼0.025), free of phase ambiguity even at large waiting times. We report the estimated spectral diffusion time scale (1.056 ps) of azide ions in aqueous solution from the 2D IR spectra and the vibrational lifetime (750 ± 3 fs) and the reorientation time (1108 ± 24 fs) from the PR-HDTG spectra.

  9. Calibration Of Airborne Visible/IR Imaging Spectrometer

    NASA Technical Reports Server (NTRS)

    Vane, G. A.; Chrien, T. G.; Miller, E. A.; Reimer, J. H.

    1990-01-01

    Paper describes laboratory spectral and radiometric calibration of Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) applied to all AVIRIS science data collected in 1987. Describes instrumentation and procedures used and demonstrates that calibration accuracy achieved exceeds design requirements. Developed for use in remote-sensing studies in such disciplines as botany, geology, hydrology, and oceanography.

  10. Far-IR Fabry-Perot spectrometer for OH measurements

    NASA Astrophysics Data System (ADS)

    Pickett, H. M.; Peterson, D. B.

    1991-09-01

    The Far Infrared Limb Observing Spectrometer (FILOS) is an instrument designed to measure chemical species in the upper atmosphere using limb emission in the far infrared region of the spectrum. FILOS uses three Fabry-Perot etalons in series to obtain a resolution of 0.0017/cm near 101/cm (99 microns). The instrumental concept and atmospheric measurements are discussed.

  11. Far-IR Fabry-Perot spectrometer for OH measurements

    NASA Technical Reports Server (NTRS)

    Pickett, H. M.; Peterson, D. B.

    1991-01-01

    The Far Infrared Limb Observing Spectrometer (FILOS) is an instrument designed to measure chemical species in the upper atmosphere using limb emission in the far infrared region of the spectrum. FILOS uses three Fabry-Perot etalons in series to obtain a resolution of 0.0017/cm near 101/cm (99 microns). The instrumental concept and atmospheric measurements are discussed.

  12. Polarization shaping in the mid-IR and polarization-based balanced heterodyne detection with application to 2D IR spectroscopy.

    PubMed

    Middleton, Chris T; Strasfeld, David B; Zanni, Martin T

    2009-08-17

    We demonstrate amplitude, phase and polarization shaping of femtosecond mid-IR pulses using a germanium acousto-optical modulator by independently shaping the frequency-dependent amplitudes and phases of two orthogonally polarized pulses which are then collinearly overlapped using a wire-grid polarizer. We use a feedback loop to set and stabilize the relative phase of the orthogonal pulses. We have also used a wire-grid polarizer to implement polarization-based balanced heterodyne detection for improved signal-to-noise of 2D IR spectra collected in a pump-probe geometry. Applications include coherent control of molecular vibrations and improvements in multidimensional IR spectroscopy.

  13. C2D Spitzer-IRS spectra of disks around T Tauri stars. V. Spectral decomposition

    NASA Astrophysics Data System (ADS)

    Olofsson, J.; Augereau, J.-C.; van Dishoeck, E. F.; Merín, B.; Grosso, N.; Ménard, F.; Blake, G. A.; Monin, J.-L.

    2010-09-01

    Context. Dust particles evolve in size and lattice structure in protoplanetary disks, due to coagulation, fragmentation and crystallization, and are radially and vertically mixed in disks due to turbulent diffusion and wind/radiation pressure forces. Aims: This paper aims at determining the mineralogical composition and size distribution of the dust grains in planet forming regions of disks around a statistical sample of 58 T Tauri stars observed with Spitzer/IRS as part of the Cores to Disks (c2d) Legacy Program. Methods: We present a spectral decomposition model, named “B2C”, that reproduces the IRS spectra over the full spectral range (5-35 μm). The model assumes two dust populations: a warm component responsible for the 10 μm emission arising from the disk inner regions (≲1 AU) and a colder component responsible for the 20-30 μm emission, arising from more distant regions (≲10 AU). The fitting strategy relies on a random exploration of parameter space coupled with a Bayesian inference method. Results: We show evidence for a significant size distribution flattening in the atmospheres of disks compared to the typical MRN distribution, providing an explanation for the usual flat, boxy 10 μm feature profile generally observed in T Tauri star spectra. We reexamine the crystallinity paradox, observationally identified by Olofsson et al. (2009 , A&A, 507, 327), and we find a simultaneous enrichment of the crystallinity in both the warm and cold regions, while grain sizes in both components are uncorrelated. We show that flat disks tend to have larger grains than flared disk. Finally our modeling results do not show evidence for any correlations between the crystallinity and either the star spectral type, or the X-ray luminosity (for a subset of the sample). Conclusions: The size distribution flattening may suggests that grain coagulation is a slightly more effective process than fragmentation (helped by turbulent diffusion) in disk atmospheres, and that

  14. Study on molecular structure and hydration mechanism of Domyoji-ko starch by IR and NIR hetero 2D analysis

    NASA Astrophysics Data System (ADS)

    Katayama, Norihisa; Kondo, Miyuki; Miyazawa, Mitsuhiro

    2010-06-01

    The hydration structure of starch molecule in Domyoji-ko, which is made from gluey rice, was investigated by hetero 2D correlation analysis of IR and NIR spectroscopy. The feature near 1020 cm -1 in the IR spectra of Domyoji-ko is changed by rehydration process, indicating that the molecular structure of amylopectin in the starch has been varied by the hydration without heating. The intensity of a band at 4770 cm -1 in NIR spectra is decreasing with the increasing of either the heating time with water or rehydration time without heating. These results suggest that the hydration of Domyoji-ko has proceeded in similar mechanisms on these processes. The generalized hetero 2D IR-NIR correlation analysis for rehydration of Domyoji-ko has supported the assignments for NIR bands concerning the gelatinization of starch.

  15. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

    SciTech Connect

    Burris, Paul C.; Laage, Damien; Thompson, Ward H.

    2016-05-20

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this Paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. Lastly, the simulated spectra indicate that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.

  16. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores.

    PubMed

    Burris, Paul C; Laage, Damien; Thompson, Ward H

    2016-05-21

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. The simulated spectra indicates that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.

  17. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

    DOE PAGES

    Burris, Paul C.; Laage, Damien; Thompson, Ward H.

    2016-05-20

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this Paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is usedmore » to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. Lastly, the simulated spectra indicate that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.« less

  18. The portable atmospheric research interferometric spectrometer for the infrared, PARIS-IR

    NASA Astrophysics Data System (ADS)

    Fu, Dejian; Walker, Kaley A.; Sung, Keeyoon; Boone, Chris D.; Soucy, Marc-Andre; Bernath, Peter F.

    2007-01-01

    A new compact, portable Fourier transform spectrometer, called the Portable Atmospheric Research Interferometric Spectrometer for the Infrared (PARIS-IR), has been built for atmospheric remote sensing. The first comprehensive description of the configuration and performance of this instrument for ground-based and balloon-borne operation is provided. Sample atmospheric absorption spectra and representative results observed at the Waterloo Atmospheric Observatory (WAO) are given. The good agreement between PARIS IR, Brewer spectrophotometer, and ozonesonde measurements of the column density of ozone at mid-latitudes demonstrate the performance and the reliability of the instrument.

  19. 2D-IR spectroscopy of the sulfhydryl band of cysteines in the hydrophobic core of proteins.

    PubMed

    Koziński, M; Garrett-Roe, S; Hamm, P

    2008-06-26

    We investigate the sulfhydryl band of cysteines as a new chromophore for two-dimensional IR (2D-IR) studies of the structure and dynamics of proteins. Cysteines can be put at almost any position in a protein by standard methods of site-directed mutagenesis and, hence, have the potential to be an extremely versatile local probe. Although being a very weak absorber in aqueous environment, the sulfhydryl group gets strongly polarized when situated in an alpha-helix inside the hydrophobic core of a protein because of a strong hydrogen bond to the backbone carbonyl group. The extinction coefficient (epsilon=150 M(-1) cm(-1)) then is sufficiently high to perform detailed 2D-IR studies even at low millimolar concentrations. Using porcine (carbonmonoxy)hemoglobin as an example, which contains two such cysteines in its wild-type form, we demonstrate that spectral diffusion deduced from the 2D-IR line shapes reports on the overall-breathing of the corresponding alpha-helix. The vibrational lifetime of the sulfhydryl group (T1 approximately 6 ps) is considerably longer than that of the much more commonly used amide I mode (approximately 1.0 ps), thereby significantly extending the time window in which spectral diffusion processes can be observed. The experiments are accompanied by molecular dynamics simulations revealing a good overall agreement.

  20. Isotope-Labeled Amyloids via Synthesis, Expression, and Chemical Ligation for Use in FTIR, 2D IR, and NMR Studies.

    PubMed

    Zhang, Tianqi O; Grechko, Maksim; Moran, Sean D; Zanni, Martin T

    2016-01-01

    This chapter provides protocols for isotope-labeling the human islet amyloid polypeptide (hIAPP or amylin) involved in type II diabetes and γD-crystallin involved in cataract formation. Because isotope labeling improves the structural resolution, these protocols are useful for experiments using Fourier transform infrared (FTIR), two-dimensional infrared (2D IR), and NMR spectroscopies. Our research group specializes in using 2D IR spectroscopy and isotope labeling. 2D IR spectroscopy provides structural information by measuring solvation from 2D diagonal lineshapes and vibrational couplings from cross peaks. Infrared spectroscopy can be used to study kinetics, membrane proteins, and aggregated proteins. Isotope labeling provides greater certainty in the spectral assignment, which enables new structural insights that are difficult to obtain with other methods. For amylin, we provide a protocol for (13)C/(18)O labeling backbone carbonyls at one or more desired amino acids in order to obtain residue-specific structural resolution. We also provide a protocol for expressing and purifying amylin from E. coli, which enables uniform (13)C or (13)C/(15)N labeling. Uniform labeling is useful for measuring the monomer infrared spectrum in an amyloid oligomer or fiber as well as amyloid protein bound to another polypeptide or protein, such as a chaperone or an inhibitor. In addition, our expression protocol results in 2-2.5 mg of amylin peptide per 1 L cell culture, which is a high enough yield to straightforwardly obtain the 2-10 mg needed for high resolution and solid-state NMR experiments. Finally, we provide a protocol to isotope-label either of the two domains of γD-crystallin using expressed protein ligation. Domain labeling makes it possible to resolve the structures of the two halves of the protein in FTIR and 2D IR spectra. With modifications, these strategies and protocols for isotope labeling can be applied to other amyloid polypeptides and proteins.

  1. Sensitivity of 2D IR Spectra to Peptide Helicity: A Concerted Experimental and Simulation Study of an Octapeptide

    PubMed Central

    Sengupta, Neelanjana; Maekawa, Hiroaki; Zhuang, Wei; Toniolo, Claudio; Mukamel, Shaul; Tobias, Douglas J.; Ge, Nien-Hui

    2010-01-01

    We have investigated the sensitivity of two-dimensional infrared (2D IR) spectroscopy to peptide helicity with an experimental and theoretical study of Z-[L-(αMe)Val]8-OtBu in CDCl3. 2D IR experiments were carried out in the amide-I region under the parallel and the double-crossed polarization configurations. In the latter polarization configuration, the 2D spectra taken with the rephasing and nonrephasing pulse sequences exhibit a doublet feature and a single peak, respectively. These cross-peak patterns are highly sensitive to the underlying peptide structure. Spectral calculations were performed on the basis of a vibrational exciton model, with the local mode frequencies and couplings calculated from snapshots of molecular dynamics (MD) simulation trajectories using six different models for the Hamiltonian. Conformationally variant segments of the MD trajectory, while reproducing the main features of the experimental spectra, are characterized by extraneous features, suggesting that the structural ensembles sampled by the simulation are too broad. By imposing periodic restraints on the peptide dihedral angles with the crystal structure as a reference, much better agreement between the measured and the calculated spectra was achieved. The result indicates that the structure of Z-[L-(αMe)Val]8-OtBu in CDCl3 is a fully developed 310-helix with only a small fraction of α-helical or nonhelical conformations in the middle of the peptide. Of the four different combinations of pulse sequences and polarization configurations, the nonrephasing double-crossed polarization 2D IR spectrum exhibits the highest sensitivity in detecting conformational variation. Of the six local mode frequency models tested, the electrostatic maps of Mukamel and Cho perform the best. Our results show that the high sensitivity of 2D IR spectroscopy can provide a useful basis for developing methods to improve the sampling accuracy of force fields and for characterizing the relative merits of

  2. 2D FT-IR Study of Compositional and Structural Change in Developing Cotton Fibers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two-dimensional (2D) correlation analysis was applied to characterize the ATR spectral intensity fluctuations of immature and mature cotton fibers. Prior to 2D analysis, the spectra were leveled to zero at the peak intensity of 1800 cm-1 and then were normalized at the peak intensity of 660 cm-1 to ...

  3. Far-IR Fabry-Perot spectrometer for OH measurements

    NASA Technical Reports Server (NTRS)

    Pickett, Herbert M.; Peterson, Dean B.

    1993-01-01

    The Far Infrared Limb Observing Spectrometer (FILOS) is an instrument designed to measure chemical species in the upper atmosphere using limb emission in the FIR region of the spectrum. FILOS uses three Fabry-Perot etalons in series to obtain a resolution of 0.0017/cm near 100/cm (100 microns). It is compact and has low power and low data rate requirements so that it may be flown as an auxiliary balloon payload with larger instruments. FILOS has two 0.05/cm bandwidth channels which are currently tuned to a HCl line at 104.2/cm and a pair of OH lines at 101.3/cm. The instrument is described in further detail and results are presented from two recent balloon flights in which OH was measured as a function of time on one hour centers from sunrise to sunset.

  4. Far-IR Fabry-Perot spectrometer for OH measurements

    NASA Astrophysics Data System (ADS)

    Pickett, Herbert M.; Peterson, Dean B.

    1993-02-01

    The Far Infrared Limb Observing Spectrometer (FILOS) is an instrument designed to measure chemical species in the upper atmosphere using limb emission in the FIR region of the spectrum. FILOS uses three Fabry-Perot etalons in series to obtain a resolution of 0.0017/cm near 100/cm (100 microns). It is compact and has low power and low data rate requirements so that it may be flown as an auxiliary balloon payload with larger instruments. FILOS has two 0.05/cm bandwidth channels which are currently tuned to a HCl line at 104.2/cm and a pair of OH lines at 101.3/cm. The instrument is described in further detail and results are presented from two recent balloon flights in which OH was measured as a function of time on one hour centers from sunrise to sunset.

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

    PubMed

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

    2017-03-05

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

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  7. A 2-D Array of Superconducting Magnesium Diboride (MgB2) Far-IR Thermal Detectors for Planetary Exploration

    NASA Technical Reports Server (NTRS)

    Lakew, Brook

    2009-01-01

    A 2-D array of superconducting Magnesium Diboride(MgB2) far IR thermal detectors has been fabricated. Such an array is intended to be at the focal plane of future generation thermal imaging far-IR instruments that will investigate the outer planets and their icy moons. Fabrication and processing of the pixels of the array as well as noise characterization of architectured MgB2 thin films will be presented. Challenges and solutions for improving the performance of the array will be discussed.

  8. Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy.

    PubMed

    van Wilderen, Luuk J G W; Kern-Michler, Daniela; Müller-Werkmeister, Henrike M; Bredenbeck, Jens

    2014-09-28

    We investigated the characteristics of the thiocyanate (SCN) functional group as a probe of local structural dynamics for 2D-IR spectroscopy of proteins, exploiting the dependence of vibrational frequency on the environment of the label. Steady-state and time-resolved infrared spectroscopy are performed on the model compound methylthiocyanate (MeSCN) in solvents of different polarity, and compared to data obtained on SCN as a local probe introduced as cyanylated cysteine in the protein bovine hemoglobin. The vibrational lifetime of the protein label is determined to be 37 ps, and its anharmonicity is observed to be lower than that of the model compound (which itself exhibits solvent-independent anharmonicity). The vibrational lifetime of MeSCN generally correlates with the solvent polarity, i.e. longer lifetimes in less polar solvents, with the longest lifetime being 158 ps. However, the capacity of the solvent to form hydrogen bonds complicates this simplified picture. The long lifetime of the SCN vibration is in contrast to commonly used azide labels or isotopically-labeled amide I and better suited to monitor structural rearrangements by 2D-IR spectroscopy. We present time-dependent 2D-IR data on the labeled protein which reveal an initially inhomogeneous structure around the CN oscillator. The distribution becomes homogeneous after 5 picoseconds so that spectral diffusion has effectively erased the 'memory' of the CN stretching frequency. Therefore, the 2D-IR data of the label incorporated in hemoglobin demonstrate how SCN can be utilized to sense rearrangements in the local structure on a picosecond timescale.

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

    NASA Astrophysics Data System (ADS)

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

    2014-07-01

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

  10. AOTF near-IR spectrometers for study of Lunar and Martian surface composition

    NASA Astrophysics Data System (ADS)

    Korablev, O.; Kiselev, A.; Vyazovetskiy, N.; Fedorova, A.; Evdokimova, N.; Stepanov, A.; Titov, A.; Kalinnikov, Y.; Kuzmin, R. O.; Bazilevsky, A. T.; Bondarenko, A.; Moiseev, P.

    2013-09-01

    The series of the AOTF near-IR spectrometers is developed in Moscow Space Research Institute for study of Lunar and Martian surface composition in the vicinity of a lander or a rover. Lunar Infrared Spectrometer (LIS) is an experiment onboard Luna-Glob (launch in 2015) and Luna-Resurs (launch in 2017) Russian surface missions. The LIS is mounted on the mechanic arm of landing module in the field of view (45°) of stereo TV camera. Infrared Spectrometer for ExoMars (ISEM) is an experiment onboard ExoMars (launch in 2018) ESARoscosmos rover. The ISEM instrument is mounted on the rover's mast together with High Resolution camera (HRC). Spectrometers will provide measurements of selected surface area in the spectral range of 1.15-3.3 μm. The electrically commanded acousto-optic filter scans sequentially at a desired sampling, with random access, over the entire spectral range.

  11. AOTF near-IR spectrometers for study of Lunar and Martian surface composition

    NASA Astrophysics Data System (ADS)

    Ivanov, A.; Korablev, O.; Mantsevich, S.; Vyazovetskiy, N.; Fedorova, A.; Evdokimova, N.; Stepanov, A.; Titov, A.; Kalinnikov, Y.; Kuzmin, R.; Kiselev, A.; Bazilevsky, A.; Bondarenko, A.; Dokuchaev, I.; Moiseev, P.; Victorov, A.; Berezhnoy, A.; Skorov, Y.; Bisikalo, D.; Velikodsky, Y.

    2014-04-01

    The series of the AOTF near-IR spectrometers is developed in Moscow Space Research Institute for study of Lunar and Martian surface composition in the vicinity of a lander or a rover. Lunar Infrared Spectrometer (LIS) is an experiment onboard Luna-Glob (launch in 2017) and Luna- Resurs (launch in 2019) Russian surface missions. It's a pencil-beam spectrometer to be pointed by a robotic arm of the landing module. The instrument's field of view (FOV) of 1° is co-aligned with the FOV(45°) of a stereo TV camera. Infrared Spectrometer for ExoMars (ISEM) is an experiment onboard ExoMars (launch in 2018) ESARoscosmos rover. It's spectrometer based on LIS with required redesign for ExoMars mission. The ISEM instrument is mounted on the rover's mast coaligned with the FOV (5°) of High Resolution camera (HRC). Spectrometers and are intended for study of the surface composition in the vicinity of the lander and rover. The spectrometers will provide measurements of selected surface areas in the spectral range of 1.15-3.3 μm. The spectral selection is provided by acoustooptic tunable filter (AOTF), which scans the spectral range sequentially. Electrical command of the AOTF allows selecting the spectral sampling, and permits a random access if needed.

  12. Non-native side chain IR probe in peptides: ab initio computation and 1D and 2D IR spectral simulation.

    PubMed

    Zheng, Michael L; Zheng, David C; Wang, Jianping

    2010-02-18

    Infrared frequency region of 2000-2600 cm(-1) (i.e., ca. 4-5 microm in wavelength) is a well-known open spectral window for peptides and proteins. In this work, six unnatural amino acids (unAAs) were designed to have characteristic absorption bands located in this region. Key chemical groups that served as side chains in these unAAs are C[triple bond]C, Phe-C[triple bond]C, N=C=O, N=C=S, P-H, and Si-H, respectively. Cysteine (a natural AA having S-H in side chain) was also studied for comparison. The anharmonic vibrational properties, including frequencies, anharmonicities, and intermode couplings, were examined using the density functional theory. Broadband linear infrared (IR) and two-dimensional (2D) IR spectra were simulated for each molecule. It is found that all of the side chain modes have significant overtone diagonal anharmonicities. All have moderate transition dipole strengths except the C[triple bond]C and S-H stretching modes, in comparison with the C=O stretching mode. In each case, a collection of 2D IR cross peaks were predicted to appear due to the presence of the side chain groups, whose strengths are closely related to the intramolecular anharmonic interactions, and to the transition dipole strengths of the coupled vibrators. Further, potential energy distribution analysis and high-order anharmonic constant computation showed that these IR probes possess a varying degree of mode localization. The results suggest that these IR probes are potentially useful in complementing the well-studied amide-I mode, to investigate structures and dynamics of peptides and proteins.

  13. Differentiation of five species of Danggui raw materials by FTIR combined with 2D-COS IR

    NASA Astrophysics Data System (ADS)

    Li, Jian-Rui; Sun, Su-Qin; Wang, Xiao-Xiao; Xu, Chang-Hua; Chen, Jian-Bo; Zhou, Qun; Lu, Guang-Hua

    2014-07-01

    Five herbs named as Chinese Danggui (CDG), Japanese Danggui (JDG), Korea Danggui (KDG), Lovage root (LR) and Angelica root (AR) are widely and confusedly used in eastern and western countries owing to their homonym. These herbs come from different plant species resulting in the variety of bioactive components and medical efficacy. A method combing tri-step IR macro-fingerprinting techniques with statistical pattern recognition was therefore employed discriminate the five herbs in order to assure their genuineness. A total of 26 samples were collected and identified by conventional Fourier transform infrared (FTIR) spectroscopy, second derivative infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2D-COS IR) spectroscopy. CDG and KDG were easily differentiated from others herbs by FTIR and SD-IR spectra. The characteristic peaks of CDG were located at 1068, 1051, 990, 909 and 867 cm-1, whilst KDG contained the peaks located at 1628, 1565, 1392, 1232 and 1136 cm-1. By 2D-COS IR spectra, the bands in the range of 950-1110 cm-1 could be a characteristic range to identify the five herbs. There were six auto-peaks located at 978, 991, 1028 (strongest), 1061, 1071 and 1097 cm-1 for CDG, six auto-peaks at 975, 991, 1026, 1053, 1070 (strongest) and 1096 cm-1 for KDG, five auto-peaks at 970, 1009, 1037, 1070 and 1096 (strongest) cm-1 for JDG, five auto-peaks at 973 (strongest), 1009, 1033, 1072 and 1099 cm-1 for LR, and five auto-peaks at 974 (strongest), 1010, 1033, 1072 and 1099 cm-1 for AR. Classification analysis of FTIR showed that these species located in different clusters. The results indicate the tri-step infrared macro-fingerprinting combines with principle component analysis (PCA) is suitable to rapidly and nondestructively differentiate these herbs.

  14. Frequency Comb Assisted IR Measurements of H_3^+, H_2D^+ and D_2H^+ Transitions

    NASA Astrophysics Data System (ADS)

    Jusko, Pavol; Asvany, Oskar; Schlemmer, Stephan

    2016-06-01

    We present recent measurements of the fundamental transitions of H_3^+, H_2D^+ and D_2H^+ in a 4 K 22-pole trap by action spectroscopic techniques. Either Laser Induced Inhibition of Cluster Growth (He attachment at T≈4 K), endothermic reaction of H_3^+ with O_2, or deuterium exchange has been used as measurement scheme. We used a 3 μm optical parametric oscillator coupled to a frequency comb in order to achieve accuracy generally below 1 MHz. Five transitions of H_3^+, eleven of H_2D^+ and ten of D_2H^+ were recorder in our spectral range. We compare our H_3^+ results with two previous frequency comb assisted works. Moreover, accurate determination of the frequency allows us to predict pure rotational transitions for H_2D^+ and D_2H^+ in the THz range. P. Jusko, C. Konietzko, S. Schlemmer, O. Asvany, J. Mol. Spec. 319 (2016) 55 O. Asvany, S. Brünken, L. Kluge, S. Schlemmer, Appl. Phys. B 114 (2014) 203 O. Asvany, J. Krieg, S. Schlemmer, Rev. Sci. Instr. 83 (2012) 093110 J.N. Hodges, A.J. Perry, P.A. Jenkins, B.M. Siller, B.J. McCall, J. Chem. Phys. 139 (2013) 164201 H.-C. Chen, C.-Y. Hsiao, J.-L. Peng, T. Amano, J.-T. Shy, Phys. Rev. Lett. 109 (2012) 263002

  15. Instrumentation on the RAIDS experiment 2: Extreme ultraviolet spectrometer, photometer, and near IR spectrometer

    NASA Astrophysics Data System (ADS)

    Christensen, A. B.; Kayser, D. C.; Pranke, J. B.; Chakrabarti, Supriya; McCoy, R. P.

    1994-02-01

    The RAIDS experiment consists of eight instruments spanning the wavelength range from the extreme ultraviolet (55 nm) to the near infrared (800 nm) oriented to view the Earth's limb from the NOAA-J spacecraft to be launched into a circular orbit in 1993. Through measurements of the natural optical emissions and scattered sunlight originating in the upper atmosphere including the mesosphere and thermosphere, state variables such as temperature, composition, density and ion concentration of this region will be inferred. This report describes the subset of instruments fabricated or otherwise provided by the Space and Environment Technology Center (formerly Space Sciences Laboratory) at The Aerospace Corp. The companion to this report describes the instruments from the Naval Research Laboratory. The Extreme Ultraviolet Spectrograph (EUVS), the three fixed filter photometers OI (630), OI (777), and Na (589), and the near infrared spectrometer (NIR) will be described. These are all mounted on a mechanical scan platform that scans the limb from approximately 75 to 750 km in the orbital plane of the satellite every 90 seconds.

  16. Location detection and tracking of moving targets by a 2D IR-UWB radar system.

    PubMed

    Nguyen, Van-Han; Pyun, Jae-Young

    2015-03-19

    In indoor environments, the Global Positioning System (GPS) and long-range tracking radar systems are not optimal, because of signal propagation limitations in the indoor environment. In recent years, the use of ultra-wide band (UWB) technology has become a possible solution for object detection, localization and tracking in indoor environments, because of its high range resolution, compact size and low cost. This paper presents improved target detection and tracking techniques for moving objects with impulse-radio UWB (IR-UWB) radar in a short-range indoor area. This is achieved through signal-processing steps, such as clutter reduction, target detection, target localization and tracking. In this paper, we introduce a new combination consisting of our proposed signal-processing procedures. In the clutter-reduction step, a filtering method that uses a Kalman filter (KF) is proposed. Then, in the target detection step, a modification of the conventional CLEAN algorithm which is used to estimate the impulse response from observation region is applied for the advanced elimination of false alarms. Then, the output is fed into the target localization and tracking step, in which the target location and trajectory are determined and tracked by using unscented KF in two-dimensional coordinates. In each step, the proposed methods are compared to conventional methods to demonstrate the differences in performance. The experiments are carried out using actual IR-UWB radar under different scenarios. The results verify that the proposed methods can improve the probability and efficiency of target detection and tracking.

  17. 2D IR spectroscopy of histidine: probing side-chain structure and dynamics via backbone amide vibrations.

    PubMed

    Ghosh, Ayanjeet; Tucker, Matthew J; Gai, Feng

    2014-07-17

    It is well known that histidine is involved in many biological functions due to the structural versatility of its side chain. However, probing the conformational transitions of histidine in proteins, especially those occurring on an ultrafast time scale, is difficult. Herein we show, using a histidine dipeptide as a model, that it is possible to probe the tautomer and protonation status of a histidine residue by measuring the two-dimensional infrared (2D IR) spectrum of its amide I vibrational transition. Specifically, for the histidine dipeptide studied, the amide unit of the histidine gives rise to three spectrally resolvable amide I features at approximately 1630, 1644, and 1656 cm(-1), respectively, which, based on measurements at different pH values and frequency calculations, are assigned to a τ tautomer (1630 cm(-1) component) and a π tautomer with a hydrated (1644 cm(-1) component) or dehydrated (1656 cm(-1) component) amide. Because of the intrinsic ultrafast time resolution of 2D IR spectroscopy, we believe that the current approach, when combined with the isotope editing techniques, will be useful in revealing the structural dynamics of key histidine residues in proteins that are important for function.

  18. The OVIRS Visible/IR Spectrometer on the OSIRIS-Rex Mission

    NASA Technical Reports Server (NTRS)

    Reuter, D. C.; Simon-Miller, A. A.

    2012-01-01

    The OSIRIS-REx (Origins Spectral Interpretation Resource Identification Security Regolith Explorer) Mission is a planetary science mission to study, and return a sample from, the carbonaceous asteroid 1999 RQ-36. The third mission selected under NASA's New Frontiers Program, it is scheduled to be launched in 2016. It is led by PI Dante Lauretta at the University of Arizona and managed by NASA's Goddard Space Flight Center. The spacecraft and the asteroid sampling mechanism, TAGSAM (Touch-And-Go Sample Acquisition Mechanism) will be provided by Lockheed Martin Space Systems. Instrumentation for studying the asteroid include: OCAMS (the OSIRIS-REx Camera Suite), OLA (the OSIRIS-REx Laser Altimeter, a scanning LIDAR), OTES (The OSIRIS-REx Thermal Emission Spectrometer, a 4-50 micron point spectrometer) and OVIRS (the OSIRIS-REx Visible and IR Spectrometer, a 0.4 to 4.3 micron point spectrometer). The payload also includes REXIS (the Regolith X-ray Imaging Spectrometer) a student provided experiment. This paper presents a description of the OVIRS instrument.

  19. Dynamics of a Room Temperature Ionic Liquid in Supported Ionic Liquid Membranes vs the Bulk Liquid: 2D IR and Polarized IR Pump-Probe Experiments.

    PubMed

    Shin, Jae Yoon; Yamada, Steven A; Fayer, Michael D

    2017-01-11

    Supported ionic liquid membranes (SILMs) are membranes that have ionic liquids impregnated in their pores. SILMs have been proposed for advanced carbon capture materials. Two-dimensional infrared (2D IR) and polarization selective IR pump-probe (PSPP) techniques were used to investigate the dynamics of reorientation and spectral diffusion of the linear triatomic anion, SeCN(-), in poly(ether sulfone) (PES) membranes and room-temperature ionic liquid (RTIL), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EmimNTf2). The dynamics in the bulk EmimNTf2 were compared to its dynamics in the SILM samples. Two PES membranes, PES200 and PES30, have pores with average sizes, ∼300 nm and ∼100 nm, respectively. Despite the relatively large pore sizes, the measurements reveal that the reorientation of SeCN(-) and the RTIL structural fluctuations are substantially slower in the SILMs than in the bulk liquid. The complete orientational randomization, slows from 136 ps in the bulk to 513 ps in the PES30. 2D IR measurements yield three time scales for structural spectral diffusion (SSD), that is, the time evolution of the liquid structure. The slowest decay constant increases from 140 ps in the bulk to 504 ps in the PES200 and increases further to 1660 ps in the PES30. The results suggest that changes at the interface propagate out and influence the RTIL structural dynamics even more than a hundred nanometers from the polymer surface. The differences between the IL dynamics in the bulk and in the membranes suggest that studies of bulk RTIL properties may be poor guides to their use in SILMs in carbon capture applications.

  20. Theory and Applications of a Faraday Filter-Based Spectrometer to Measure Sodium Nightglow D2/D1 Intensity Ratios

    NASA Astrophysics Data System (ADS)

    Harrell, S. D.; She, C.; Krueger, D. A.; Yuan, T.; Reising, S. C.

    2008-12-01

    The Chapman mechanism (1939) offers the accepted chemical pathway for the production of excited states of mesospheric sodium, leading to nightglow at two wavelengths: D2 (589.158 nm) and D1 (589.756 nm). While the Chapman mechanism leaves open the possibility that the intensity ratio of the two transitions may vary due to the chemical reaction involving atomic oxygen, early observations by Sipler and Biondi (1978) yielded the value of two within experimental error. Recent work by Slanger et al. (2005), however, showed that not only does the intensity ratio vary, but its value is related to the concentration ratio of atomic oxygen [O] to molecular oxygen [O2]. They proposed a modification of the Chapman mechanism involving two competing chemical pathways for sodium production to account for the observed variation. This paper will describe our compact, Faraday filter-based spectrometer to measure the D2/D1 intensity ratio of the sodium nightglow from the upper mesosphere. The novelty of this method also permits determination of the fractional contributions of the two chemical pathways to test the validity of the modified Chapman mechanism for Na chemistry, as well as to infer information about [O]/[O2]. Since the delineation between the two chemical pathways requires a spectral resolution of 0.0002 nm, this is not possible with any other existing instrument. With this spectrometer deployed at the Colorado State University sodium lidar facility (41°N, 105°W), we expect to be able to measure short-term variations of the sodium nightglow intensity ratio and the chemical pathway fraction, from which [O]/[O2] can be inferred. These observations may yield new insights into mesospheric chemistry, especially for atomic and molecular oxygen, which play a key role in upper atmospheric chemistry and dynamics.

  1. Miniature FT-IR Spectrometer For Industrial On-Line Applications

    NASA Astrophysics Data System (ADS)

    Herrala, Esko; Niemela, Pentti; Hannula, Tapio

    1989-12-01

    There have been made some attempts to transfer the advantages of FT-IR to industrial use. Commercially available research grade instruments have traditionally been large and rather expensive. However, in many potential applications only medium resolution is required, especially when measuring liquid or solid samples. This means that the mirror displacement in a Michelson interferometer remains short and computation of the Fourier transform can be executed by a small computer. Medium resolution gives also other advantages in designing a spectrometer; simple source and detector optics, less severe requirements for mirror transport, and a small size.

  2. Compact Highly Sensitive Multi-species Airborne Mid-IR Spectrometer

    SciTech Connect

    Richter, Dirk; Weibring, P.; Walega, J.; Fried, Alan; Spuler, Scott M.; Taubman, Matthew S.

    2015-02-01

    We report on the development and airborne field deployment of a mid-IR laser based spectrometer. The instrument was configured for the simultaneous in-situ detection of formaldehyde (CH2O) and ethane (C2H6). Numerous mechanical, optical, electronic, and software improvements over a previous instrument design resulted in reliable highly sensitive airborne operation with long stability times yielding 90% airborne measurement coverage during the recent air quality study over the Colorado front range, FRAPPÉ 2014. Airborne detection sensitivities of ~ 15 pptv (C2H6) and ~40 pptv (CH2O) were generally obtained for 1 s of averaging for simultaneous detection.

  3. c2d Spitzer IRS spectra of embedded low-mass young stars: gas-phase emission lines

    NASA Astrophysics Data System (ADS)

    Lahuis, F.; van Dishoeck, E. F.; Jørgensen, J. K.; Blake, G. A.; Evans, N. J.

    2010-09-01

    Context. A survey of mid-infrared gas-phase emission lines of H2, H2O and various atoms toward a sample of 43 embedded low-mass young stars in nearby star-forming regions is presented. The sources are selected from the Spitzer “Cores to Disks” (c2d) legacy program. Aims: The environment of embedded protostars is complex both in its physical structure (envelopes, outflows, jets, protostellar disks) and the physical processes (accretion, irradiation by UV and/or X-rays, excitation through slow and fast shocks) which take place. The mid-IR spectral range hosts a suite of diagnostic lines which can distinguish them. A key point is to spatially resolve the emission in the Spitzer-IRS spectra to separate extended PDR and shock emission from compact source emission associated with the circumstellar disk and jets. Methods: An optimal extraction method is used to separate both spatially unresolved (compact, up to a few hundred AU) and spatially resolved (extended, thousand AU or more) emission from the IRS spectra. The results are compared with the c2d disk sample and literature PDR and shock models to address the physical nature of the sources. Results: Both compact and extended emission features are observed. Warm (T_ex few hundred K) H2, observed through the pure rotational H2 S(0), S(1) and S(2) lines, and [S i] 25 μm emission is observed primarily in the extended component. [S i] is observed uniquely toward truly embedded sources and not toward disks. On the other hand hot (T_ex ⪆ 700 K) H2, observed primarily through the S(4) line, and [Ne ii] emission is seen mostly in the spatially unresolved component. [Fe ii] and [Si ii] lines are observed in both spatial components. Hot H2O emission is found in the spatially unresolved component of some sources. Conclusions: The observed emission on ≥1000 AU scales is characteristic of PDR emission and likely originates in the outflow cavities in the remnant envelope created by the stellar wind and jets from the embedded

  4. MEOS Microsatellite Earth Observation using Miniature Integrated-Optic IR Spectrometers

    NASA Astrophysics Data System (ADS)

    Kruzelecky, Roman

    ±0.1 kPa from measurements of the 0.76 mm O2 A band with 0.02 nm resolution and will contain an imager for surface observations at 25×40 m2 resolution within a 100×160 km2 view. This will assist with cloud detection, measurement geolocation and determination of land-cover status. The MEOS payload encompasses groundbreaking innovation in miniaturized infrared (IR) spectrometers based on MPBC's patented technologies (US 7,034,935 B1) for high performance guided-wave spectrometers. The guided-wave spectrometer integration provides an order of magnitude reduction in the mass and volume relative to traditional bulk-optic spectrometers, with a net mass under 2 kg, while also providing significant performance advantages; including an optically immersed master grating for minimal aberrations, robust optical alignment using a low-loss dielectric IR waveguide, and simultaneous broad-band spectral acquisition. Output integrated optics facilitate miniaturization of the detector pixels for high measurement sensitivity. Patented, binary-coded smart signal processing of IR detector arrays iteratively compensates for both random and non-random noise to yield over 60 dB of signal dynamic range. The following paper discusses the breadboarding of the miniature high-resolution FP-IOSPEC spectrometer in support of the MEOS payload requirements. This innovatively combines a tunable Fabry-Perot filter with a guided-wave spectrometer to simultaneously provide multiple microchannels with a spectral resolution to below 0.03 nm FWHM, broad spectral range of operation from 1500 to 2450 nm, and a large optical input aperture. The spectrometer miniaturization is a significant and original advance that facilitates the use of multiple dedicated spectrometers on the same microsat platform to allow simultaneous and coordinated measurements as described above. Acknowledgements The financial assistance of the Canadian Space Agency is greatly appreciated. The constructive suggestions of Guennadi

  5. MMI-based MOEMS FT spectrometer for visible and IR spectral ranges

    NASA Astrophysics Data System (ADS)

    Al-Demerdash, Bassem M.; Medhat, Mostafa; Sabry, Yasser M.; Saadany, Bassam; Khalil, Diaa

    2014-03-01

    MEMS spectrometers have very strong potential in future healthcare and environmental monitoring applications, where Michelson interferometers are the core optical engine. Recently, MEMS Michelson interferometers based on using silicon interface as a beam splitter (BS) has been proposed [7, 8]. This allows having a monolithically-integrated on-chip FTIR spectrometer. However silicon BS exhibits high absorption loss in the visible range and high material dispersion in the near infrared (NIR) range. For this reason, we propose in this work a novel MOEMS interferometer allowing operation over wider spectral range covering both the infrared (IR) and the visible ranges. The proposed architecture is based on spatial splitting and combining of optical beams using the imaging properties of Multi-Mode Interference MMI waveguide. The proposed structure includes an optical splitter for spatial splitting an input beam into two beams and a combiner for spatial combining the two interferometer beams. A MEMS moveable mirror is provided to produce an optical path difference between the two beams. The new interferometer is fabricated using DRIE technology on an SOI wafer. The movable mirror is metalized and attached to a comb-drive actuator fabricated in the same lithography step in a self-aligned manner on chip. The novel interferometer is tested as a Fourier transform spectrometer. Red laser, IR laser and absorption spectra of different materials are measured with a resolution of 2.5 nm at 635-nm wavelength. The structure is a very compact one that allows its integration and fabrication on a large scale with very low cost.

  6. [Identification and analysis of genuine and false Flos Rosae Rugosae by FTIR and 2D correlation IR spectroscopy].

    PubMed

    Cai, Fang; Sun, Su-qin; Yan, Wen-rong; Niu, Shi-jie; Li, Xian-en

    2009-09-01

    The genuine and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora) were examined in terms of their differences by using Fourier transform infrared spectroscopy (FTIR) combined with two-dimensional (2D) correlation IR spectroscopy. The three species were shown very similar in FTIR spectra. The peak of 1318 cm(-1) of genuine Flos Rosae Rugosae is not obvious but this peak could be found sharp in Flos Rosae Chinensis and Flos Rosa multiflora. Generally, the second derivative IR spectrum can clearly enhance the spectral resolution. Flos Rosae Rugosae and Flos rosae Chinensis have aromatic compounds distinct fingerprint characteristics at 1 617 and 1 618 cm(-1), respectively. Nevertheless, FlosRosa multiflora has the peak at 1612 cm(-1). There is a discrepancy of 5 to 6 cm(-1). FlosRosa multiflora has glucide's distinct fingerprint characteristics at 1 044 cm(-1), but Flos Rosae Rugosae and Flos Rosae Chinensis don't. The second derivative infrared spectra indicated different fingerprint characteristics. Three of them showed aromatic compounds with autopeaks at 1620, 1560 and 1460 cm(-1). Flos Rosae Chinensis and Flos Rosa multiflora have the shoulder peak at 1660 cm(-1). In the range of 850-1250 cm(-1), three of them are distinct different, Flos Rosae Rugosae has the strongest autopeak, Flos Rosae Chinensis has the feeble autopeak and Flos Rosa multiflora has no autopeak at 1050 cm(-1). In third-step identification, the different contents of aromatic compounds and glucide in Flos Rosae Rugosae, Flos Rosae Chinensis and Flos Rosa multiflora were revealed. It is proved that the method is fast and effective for distinguishing and analyzing genuine Flos Rosae Rugosae and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora).

  7. Comparative Variable Temperature Studies of Polyamide II with a Benchtop Fourier Transform and a Miniature Handheld Near-Infrared Spectrometer Using 2D-COS and PCMW-2D Analysis.

    PubMed

    Unger, Miriam; Pfeifer, Frank; Siesler, Heinz W

    2016-07-01

    The main objective of this communication is to compare the performance of a miniaturized handheld near-infrared (NIR) spectrometer with a benchtop Fourier transform near-infrared (FT-NIR) spectrometer. Generally, NIR spectroscopy is an extremely powerful analytical tool to study hydrogen-bonding changes of amide functionalities in solid and liquid materials and therefore variable temperature NIR measurements of polyamide II (PAII) have been selected as a case study. The information content of the measurement data has been further enhanced by exploiting the potential of two-dimensional correlation spectroscopy (2D-COS) and the perturbation correlation moving window two-dimensional (PCMW2D) evaluation technique. The data provide valuable insights not only into the changes of the hydrogen-bonding structure and the recrystallization of the hydrocarbon segments of the investigated PAII but also in their sequential order. Furthermore, it has been demonstrated that the 2D-COS and PCMW2D results derived from the spectra measured with the miniaturized NIR instrument are equivalent to the information extracted from the data obtained with the high-performance FT-NIR instrument.

  8. Volatility-dependent 2D IR correlation analysis of traditional Chinese medicine ‘Red Flower Oil’ preparation from different manufacturers

    NASA Astrophysics Data System (ADS)

    Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Tao, Jia-Xun; Noda, Isao

    2008-06-01

    As a traditional Chinese medicine (TCM), 'Red Flower Oil' preparation is widely used as a household remedy in China and Southeast Asia. Usually, the preparation is a mixture of several plant essential oils with different volatile features, such as wintergreen oil, turpentine oil and clove oil. The proportions of these plant essential oils in 'Red Flower Oil' vary from different manufacturers. Thus, it is important to develop a simple and rapid evaluation method for quality assurance of the preparations. Fourier transform infrared (FT-IR) was applied and two-dimensional correlation infrared spectroscopy (2D IR) based on the volatile characteristic of samples was used to enhance the resolution of FT-IR spectra. 2D IR technique could, not only easily provide the composition and their volatile sequences in 'Red flower Oil' preparations, but also rapidly discriminate the subtle differences in products from different manufacturers. Therefore, FT-IR combined with volatility-dependent 2D IR correlation analysis provides a very fast and effective method for the quality control of essential oil mixtures in TCM.

  9. The structure of salt bridges between Arg(+) and Glu(-) in peptides investigated with 2D-IR spectroscopy: Evidence for two distinct hydrogen-bond geometries.

    PubMed

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Domingos, Sérgio R; Meuzelaar, Heleen; Rupenyan, Alisa; Woutersen, Sander

    2015-06-07

    Salt bridges play an important role in protein folding and in supramolecular chemistry, but they are difficult to detect and characterize in solution. Here, we investigate salt bridges between glutamate (Glu(-)) and arginine (Arg(+)) using two-dimensional infrared (2D-IR) spectroscopy. The 2D-IR spectrum of a salt-bridged dimer shows cross peaks between the vibrational modes of Glu(-) and Arg(+), which provide a sensitive structural probe of Glu(-)⋯Arg(+) salt bridges. We use this probe to investigate a β-turn locked by a salt bridge, an α-helical peptide whose structure is stabilized by salt bridges, and a coiled coil that is stabilized by intra- and intermolecular salt bridges. We detect a bidentate salt bridge in the β-turn, a monodentate one in the α-helical peptide, and both salt-bridge geometries in the coiled coil. To our knowledge, this is the first time 2D-IR has been used to probe tertiary side chain interactions in peptides, and our results show that 2D-IR spectroscopy is a powerful method for investigating salt bridges in solution.

  10. The structure of salt bridges between Arg+ and Glu- in peptides investigated with 2D-IR spectroscopy: Evidence for two distinct hydrogen-bond geometries

    NASA Astrophysics Data System (ADS)

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Domingos, Sérgio R.; Meuzelaar, Heleen; Rupenyan, Alisa; Woutersen, Sander

    2015-06-01

    Salt bridges play an important role in protein folding and in supramolecular chemistry, but they are difficult to detect and characterize in solution. Here, we investigate salt bridges between glutamate (Glu-) and arginine (Arg+) using two-dimensional infrared (2D-IR) spectroscopy. The 2D-IR spectrum of a salt-bridged dimer shows cross peaks between the vibrational modes of Glu- and Arg+, which provide a sensitive structural probe of Glu-⋯Arg+ salt bridges. We use this probe to investigate a β-turn locked by a salt bridge, an α-helical peptide whose structure is stabilized by salt bridges, and a coiled coil that is stabilized by intra- and intermolecular salt bridges. We detect a bidentate salt bridge in the β-turn, a monodentate one in the α-helical peptide, and both salt-bridge geometries in the coiled coil. To our knowledge, this is the first time 2D-IR has been used to probe tertiary side chain interactions in peptides, and our results show that 2D-IR spectroscopy is a powerful method for investigating salt bridges in solution.

  11. High resolution Florida IR silicon immersion grating spectrometer and an M dwarf planet survey

    NASA Astrophysics Data System (ADS)

    Ge, Jian; Powell, Scott; Zhao, Bo; Wang, Ji; Fletcher, Adam; Schofield, Sidney; Liu, Jian; Muterspaugh, Matthew; Blake, Cullen; Barnes, Rory

    2012-09-01

    We report the system design and predicted performance of the Florida IR Silicon immersion grating spectromeTer (FIRST). This new generation cryogenic IR spectrograph offers broad-band high resolution IR spectroscopy with R=72,000 at 1.4-1.8 μm and R=60,000 at 0.8-1.35 μm in a single exposure with a 2kx2k H2RG IR array. It is enabled by a compact design using an extremely high dispersion silicon immersion grating (SIG) and an R4 echelle with a 50 mm diameter pupil in combination with an Image Slicer. This instrument is operated in vacuum with temperature precisely controlled to reach long term stability for high precision radial velocity (RV) measurements of nearby stars, especially M dwarfs and young stars. The primary technical goal is to reach better than 4 m/s long term RV precision with J<9 M dwarfs within 30 min exposures. This instrument is scheduled to be commissioned at the Tennessee State University (TSU) 2-m Automatic Spectroscopic Telescope (AST) at Fairborn Observatory in spring 2013. FIRST can also be used for observing transiting planets, young stellar objects (YSOs), magnetic fields, binaries, brown dwarfs (BDs), ISM and stars. We plan to launch the FIRST NIR M dwarf planet survey in 2014 after FIRST is commissioned at the AST. This NIR M dwarf survey is the first large-scale NIR high precision Doppler survey dedicated to detecting and characterizing planets around 215 nearby M dwarfs with J< 10. Our primary science goal is to look for habitable Super-Earths around the late M dwarfs and also to identify transiting systems for follow-up observations with JWST to measure the planetary atmospheric compositions and study their habitability. Our secondary science goal is to detect and characterize a large number of planets around M dwarfs to understand the statistics of planet populations around these low mass stars and constrain planet formation and evolution models. Our survey baseline is expected to detect ~30 exoplanets, including 10 Super Earths

  12. Rapid authentication of different ages of tissue-cultured and wild Dendrobium huoshanense as well as wild Dendrobium henanense using FTIR and 2D-COS IR

    NASA Astrophysics Data System (ADS)

    Chen, Nai-Dong; Chen, Nai-Fu; Li, Jun; Cao, Cai-Yun; Wang, Jin-Mei

    2015-12-01

    The accumulating of pharmaceutical chemicals in medicinal plants would greatly be affected by their ages and establishing a fast quality-identification method to evaluate the similarity of medicinal herbs at different cultivated ages is a critical step for assurance of quality and safety in the TCM industry. In this work, tri-step IR macro-fingerprinting and 2D-COS IR spectrum techniques combined with statistical pattern recognition were applied for discrimination and similarity evaluation of different ages of tissue-cultured and wild Dendrobium huoshanense C. Z. Tang et S. J. Cheng as well as Dendrobium henanense J.L.Lu et L.X Gao. Both tissue-cultured and wild D. huoshanense were easily differentiated from D. henanense by FTIR and SD-IR spectra, while it's quite difficult to discriminate different cultivated years of the three investigated Dendrobiums. In 2D-COS IR spectra, 1-5 auto-peaks with different indensity and positions were located in the region 1160-1030 cm-1 of the twelve Dendrobium samples and thus could be used to identify Dendrobium samples at different ages. Principle component analysis (PCA) of synchronous 2D-COS data showed that the twelve samples were effectively identified and evaluated. The results indicated that the tri-step infrared macro-fingerprinting combined with PCA method was suitable to differentiate the cultivated ages of Dendrobiums with species and orgins rapidly and nondestructively.

  13. QCL- and CO_2 Laser-Based Mid-Ir Spectrometers for High Accuracy Molecular Spectroscopy

    NASA Astrophysics Data System (ADS)

    Sow, P. L. T.; Chanteau, B.; Auguste, F.; Mejri, S.; Tokunaga, S. K.; Argence, B.; Lopez, O.; Chardonnet, C.; Amy-Klein, A.; Daussy, C.; Darquie, B.; Nicolodi, D.; Abgrall, M.; Le Coq, Y.; Santarelli, G.

    2013-06-01

    With their rich internal structure, molecules can play a decisive role in precision tests of fundamental physics. They are now being used, for example in our group, to test fundamental symmetries such as parity and time reversal, and to measure either absolute values of fundamental constants or their temporal variation. Most of those experiments can be cast as the measurement of molecular frequencies. Ultra-stable and accurate sources in the mid-IR spectral region, the so-called molecular fingerprint region that hosts many intense rovibrational signatures, are thus highly desirable. We report on the development of a widely tunable quantum cascade laser (QCL) based spectrometer. Our first characterization of a free-running cw near-room-temperature DFB 10.3 μm QCL led to a ˜200 kHz linewidth beat-note with our frequency-stabilized CO_2 laser. Narrowing of the QCL linewidth was achieved by straightforwardly phase-locking the QCL to the CO_2 laser. The great stability of the CO_2 laser was transferred to the QCL resulting in a record linewidth of a few tens of hertz. The use of QCLs will allow the study of any species showing absorption between 3 and 25 μm which will broaden the scope of our experimental setups dedicated to molecular spectroscopy-based precision measurements. Eventually we want to lock the QCL to a frequency comb itself stabilized to an ultra-stable near-IR reference provided via a 43-km long fibre by the French metrological institute and monitored against atomic fountain clocks. We report on the demonstration of this locking-scheme with a ˜10 μm CO_2 laser resulting in record 10^{-14}-10^{-15} fractional accuracy and stability. Stabilizing a QCL this way will free us from having to lock it to a molecular transition or a CO_2 laser. It will make it possible for any laboratory to have a stabilized QCL at any desired wavelength with spectral performances currently only achievable in the visible and near-IR, in metrological institutes.

  14. The First Deep Space Cubesat Broadband IR Spectrometer, Lunarcubes, and the Search for Lunar Volatiles

    NASA Technical Reports Server (NTRS)

    Clark, P. E.; Malphrus, Ben; Reuter, Dennis; MacDowall, Robert; Folta, David; Hurford, Terry; Brambora, Cliff; Farrell, William

    2017-01-01

    BIRCHES is the compact broadband IR spectrometer of the Lunar Ice Cube mission. Lunar Ice Cube is one of 13 6U cubesats that will be deployed by EM1 in cislunar space, qualifying as lunarcubes. The LunarCube paradigm is a proposed approach for extending the affordable CubeSat standard to support access to deep space via cis-lunar/lunar missions. Because the lunar environment contains analogs of most solar system environments, the Moon is an ideal target for both testing critical deep space capabilities and understanding solar system formation and processes. Effectively, as developments are occurring in parallel, 13 prototype deep space cubesats are being flown for EM1. One useful outcome of this 'experiment' will be to determine to what extent it is possible to develop a lunarcube 'bus' with standardized interfaces to all subsystems using reasonable protocols for a variety of payloads. The lunar ice cube mission was developed as the test case in a GSFC R&D study to determine whether the cubesat paradigm could be applied to deep space, science requirements driven missions, and BIRCHES was its payload. JPL's Lunar Flashlight, and Arizona State University's LunaH-Map, both also EM1 lunar orbiters, will also be deployed from EM1 and provide complimentary observations to be used in understanding volatile dynamics in the same time frame.

  15. Development of 2-D Array of Superconducting Magnesium Diboride (MgB2) for Far-IR Investigations of the Outer Planets and Icy Moons

    NASA Astrophysics Data System (ADS)

    Lakew, Brook

    2009-09-01

    A 2-D array of superconducting Magnesium Diboride(MgB2) far -IR thermal detectors has been fabricated. Such an array is intended to be at the focal plane of future generation thermal imaging far-IR instruments that will investigate the outer planets and their icy moons. Fabrication and processing of the pixels of the array as well as noise characterization of architectured MgB2 thin films will be presented. Challenges and solutions for improving the performance of the array will be discussed.

  16. Effect of solvent polarity on the vibrational dephasing dynamics of the nitrosyl stretch in an Fe(II) complex revealed by 2D IR spectroscopy.

    PubMed

    Brookes, Jennifer F; Slenkamp, Karla M; Lynch, Michael S; Khalil, Munira

    2013-07-25

    The vibrational dephasing dynamics of the nitrosyl stretching vibration (ν(NO)) in sodium nitroprusside (SNP, Na2[Fe(CN)5NO]·2H2O) are investigated using two-dimensional infrared (2D IR) spectroscopy. The ν(NO) in SNP acts as a model system for the nitrosyl ligand found in metalloproteins which play an important role in the transportation and detection of nitric oxide (NO) in biological systems. We perform a 2D IR line shape study of the ν(NO) in the following solvents: water, deuterium oxide, methanol, ethanol, ethylene glycol, formamide, and dimethyl sulfoxide. The frequency of the ν(NO) exhibits a large vibrational solvatochromic shift of 52 cm(-1), ranging from 1884 cm(-1) in dimethyl sulfoxide to 1936 cm(-1) in water. The vibrational anharmonicity of the ν(NO) varies from 21 to 28 cm(-1) in the solvents used in this study. The frequency-frequency correlation functions (FFCFs) of the ν(NO) in SNP in each of the seven solvents are obtained by fitting the experimentally obtained 2D IR spectra using nonlinear response theory. The fits to the 2D IR line shape reveal that the spectral diffusion time scale of the ν(NO) in SNP varies from 0.8 to 4 ps and is negatively correlated with the empirical solvent polarity scales. We compare our results with the experimentally determined FFCFs of other charged vibrational probes in polar solvents and in the active sites of heme proteins. Our results suggest that the vibrational dephasing dynamics of the ν(NO) in SNP reflect the fluctuations of the nonhomogeneous electric field created by the polar solvents around the nitrosyl and cyanide ligands. The solute solvent interactions occurring at the trans-CN ligand are sensed through the π-back-bonding network along the Fe-NO bond in SNP.

  17. Evaluation on intrinsic quality of licorice influenced by environmental factors by using FTIR combined with 2D-IR correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhou, Ying-qun; Yu, Hua; Zhang, Yan-ling; Sun, Su-qin; Chen, Shi-lin; Zhao, Run-huai; Zhou, Qun; Noda, Isao

    2010-06-01

    To evaluate the intrinsic quality of licorice influenced by environmental factors, the spectral comparison of licorice from two typical ecological habitats was conducted by using FTIR and 2D-IR correlation spectroscopy. There were differences in the peak intensities of 1155, 1076 and 1048 cm -1 of FTIR profiles. The difference was amplified by the second derivative spectrum for the peak intensities at 1370, 1365 and 1317 cm -1 and the peak shape in 958-920 cm -1 and 1050-988 cm -1. The synchronous 2D-IR spectra within the range of 860-1300 cm -1 were classified into type I and type II and their frequency in the two groups was noticeably different. Although the chemical compounds of licorice samples from two areas were generally similar, the contents of starch, calcium oxalate, and some chemical compounds containing alcohol hydroxyl group were different, indicating the influence of precipitation and temperature. This study demonstrates that the systematical analysis of FTIR, the second derivative spectrum and 2D-IR can effectively determine the differences in licorice samples from different ecological habitats.

  18. Broadband 2D electronic spectrometer using white light and pulse shaping: noise and signal evaluation at 1 and 100 kHz.

    PubMed

    Kearns, Nicholas M; Mehlenbacher, Randy D; Jones, Andrew C; Zanni, Martin T

    2017-04-03

    We have developed a broad bandwidth two-dimensional electronic spectrometer that operates shot-to-shot at repetition rates up to 100 kHz using an acousto-optic pulse shaper. It is called a two-dimensional white-light (2D-WL) spectrometer because the input is white-light supercontinuum. Methods for 100 kHz data collection are studied to understand how laser noise is incorporated into 2D spectra during measurement. At 100 kHz, shot-to-shot scanning of the delays and phases of the pulses in the pulse sequence produces a 2D spectrum 13-times faster and with the same signal-to-noise as using mechanical stages and a chopper. Comparing 100 to 1 kHz repetition rates, data acquisition time is decreased by a factor of 200, which is beyond the improvement expected by the repetition rates alone due to reduction in 1/f noise. These improvements arise because shot-to-shot readout and modulation of the pulse train at 100 kHz enables the electronic coherences to be measured faster than the decay in correlation between laser intensities. Using white light supercontinuum for the pump and probe pulses produces high signal-to-noise spectra on samples with optical densities <0.1 within a few minutes of averaging and an instrument response time of <46 fs thereby demonstrating that that simple broadband continuum sources, although weak, are sufficient to create high quality 2D spectra with >200 nm bandwidth.

  19. Updates in the IR responsivity of VIR, the spectrometer of the Dawn mission.

    NASA Astrophysics Data System (ADS)

    Ammannito, Eleonora; Mc Cord, Thomas B.; De Sanctis, Maria Cristina.; Combe, Jean-Philippe

    VIR-MS (Visual and Infrared Mapping Spectrometer) is the imaging spectrometer of the Dawn mission (1,2). Here, first we describe the computation of a new instrument responsivity based on the internal calibration data acquired during the operations at Vesta, and then we describe its effect on the dataset and on the results published so far. VIR-MS was built in Italy by a scientific-industrial (IAPS/INAF in Rome (Italy) and Selex ES in Campi Bisenzio (Fi, Italy)) consortium financially supported by the Italian Space Agency. VIR-MS is an high spatial resolution spectrometer (FOV of 64mrad, IFOV of 250 µrad) in the 0.25-5 µm range with an IFOV of 250 µrad and a spectral sampling of about 2 nm in the visible range and 10 nm in the IR range. The results of the on-ground calibration held in the Selex calibration facility in September 2005 were already presented and discussed in a paper (2). This version has been used to calibrate the data available on the Planetary Data System (PDS) Small Bodies Node, dataset used in all the papers published so far. However, after the operations at the asteroid Vesta, we have identified some artifacts in the instrument responsivity in the 2.5-3.5 µm region, which is where several absorption bands of OH and H2O occur. Those artifacts were systematic, and therefore they did not prevent the detection of relative spectral variations associated to OH and H2O. Actually, the only paper published in which are discussed spectra in this range (3) used a different calibration method described in the paper itself. This method used a simple correction of the response function based on an empirical calibration correction that is appropriate to recover the signal in that specific range. However, the absolute absorption band depth of OH and H2O could not be calculated. To compute a new instrument responsivity we used the internal lamp of the spectrometer. This lamp, made of a tungsten filament, is characterized by a blackbody-like emission at about

  20. Two Keggin-type heteropolytungstates with transition metal as a central atom: Crystal structure and magnetic study with 2D-IR correlation spectroscopy

    SciTech Connect

    Chai, Feng; Chen, YiPing; You, ZhuChai; Xia, ZeMin; Ge, SuZhi; Sun, YanQiong; Huang, BiHua

    2013-06-01

    Two Keggin-type heteropolytungstates, [Co(phen)₃]₃[CoW₁₂O₄₀]·9H₂O 1 (phen=1,10-phenanthroline) and [Fe(phen)₃]₂[FeW₁₂O₄₀]·H₃O·H₂O 2, have been synthesized via the hydrothermal technique and characterized by single crystal X-ray diffraction analyses, IR, XPS, TG analysis, UV–DRS, XRD, thermal-dependent and magnetic-dependent 2D-COS IR (two-dimensional infrared correlation spectroscopy). Crystal structure analysis reveals that the polyanions in compound 1 are linked into 3D supramolecule through hydrogen bonding interactions between lattice water molecules and terminal oxygen atoms of polyanion units, and [Co(phen)₃]²⁺ cations distributed in the polyanion framework with many hydrogen bonding interactions. The XPS spectra indicate that all the Co atoms in 1 are +2 oxidation state, the Fe atoms in 2 existing with +2 and +3 mixed oxidation states. - Graphical abstract: The magnetic-dependent synchronous 2D correlation IR spectra of 1 (a), 2 (b) over 0–50 mT in the range of 600–1000 cm⁻¹, the obvious response indicate two Keggin polyanions skeleton susceptible to applied magnetic field. Highlights: • Two Keggin-type heteropolytungstates with transition metal as a central atom has been obtained. • Compound 1 forms into 3D supramolecular architecture through hydrogen bonding between water molecules and polyanions. • Magnetic-dependent 2D-IR correlation spectroscopy was introduced to discuss the magnetism of polyoxometalate.

  1. 2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel

    NASA Astrophysics Data System (ADS)

    Ghosh, Ayanjeet; Wang, Jun; Moroz, Yurii S.; Korendovych, Ivan V.; Zanni, Martin; DeGrado, William F.; Gai, Feng; Hochstrasser, Robin M.

    2014-06-01

    Water is an integral part of the homotetrameric M2 proton channel of the influenza A virus, which not only assists proton conduction but could also play an important role in stabilizing channel-blocking drugs. Herein, we employ two dimensional infrared (2D IR) spectroscopy and site-specific IR probes, i.e., the amide I bands arising from isotopically labeled Ala30 and Gly34 residues, to probe how binding of either rimantadine or 7,7-spiran amine affects the water dynamics inside the M2 channel. Our results show, at neutral pH where the channel is non-conducting, that drug binding leads to a significant increase in the mobility of the channel water. A similar trend is also observed at pH 5.0 although the difference becomes smaller. Taken together, these results indicate that the channel water facilitates drug binding by increasing its entropy. Furthermore, the 2D IR spectral signatures obtained for both probes under different conditions collectively support a binding mechanism whereby amantadine-like drugs dock in the channel with their ammonium moiety pointing toward the histidine residues and interacting with a nearby water cluster, as predicted by molecular dynamics simulations. We believe these findings have important implications for designing new anti-influenza drugs.

  2. Synthesis, structure and temperature-depended 2D IR correlation spectroscopy of an organo-bismuth benzoate with 1,10-phenanthroline

    NASA Astrophysics Data System (ADS)

    Sun, Yan-Qiong; Zhong, Jie-Cen; Liu, Le-Hui; Qiu, Xing-Tai; Chen, Yi-Ping

    2016-11-01

    An organo-bismuth benzoate with phen as auxiliary ligand, [Bi(phen)(C6H5COO)(C6H4COO)] (1) (phen = 1,10-phenanthroline) has been hydrothermally synthesized from bismuth nitrate, 2-mercaptonbenzoic acid with phen as auxiliary ligand and characterized by single-crystal X-ray diffraction, elemental analyses, PXRD, IR spectra, TG analyses, temperature-depended 2D-IR COS (two-dimensional infrared correlation spectroscopy). Interestingly, benzoate anions in 1 came from the desulfuration reaction of 2-mercaptonbenzoic acid under hydrothermal condition. Compound 1 is a discrete organo-bismuth compound with benzoate and phen ligands. The offset face-to-face π-π stacking interactions and C-H⋯O hydrogen bonds link the isolate complex into a 3D supramolecular network. The temperature-depended 2D-IR COS indicates that the stretching vibrations of Cdbnd C/Cdbnd N of aromatic rings and Cdbnd O bonds are sensitive to the temperature change.

  3. 2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel

    SciTech Connect

    Ghosh, Ayanjeet E-mail: gai@sas.upenn.edu; Gai, Feng E-mail: gai@sas.upenn.edu; Hochstrasser, Robin M.; Wang, Jun; DeGrado, William F.; Moroz, Yurii S.; Korendovych, Ivan V.; Zanni, Martin

    2014-06-21

    Water is an integral part of the homotetrameric M2 proton channel of the influenza A virus, which not only assists proton conduction but could also play an important role in stabilizing channel-blocking drugs. Herein, we employ two dimensional infrared (2D IR) spectroscopy and site-specific IR probes, i.e., the amide I bands arising from isotopically labeled Ala30 and Gly34 residues, to probe how binding of either rimantadine or 7,7-spiran amine affects the water dynamics inside the M2 channel. Our results show, at neutral pH where the channel is non-conducting, that drug binding leads to a significant increase in the mobility of the channel water. A similar trend is also observed at pH 5.0 although the difference becomes smaller. Taken together, these results indicate that the channel water facilitates drug binding by increasing its entropy. Furthermore, the 2D IR spectral signatures obtained for both probes under different conditions collectively support a binding mechanism whereby amantadine-like drugs dock in the channel with their ammonium moiety pointing toward the histidine residues and interacting with a nearby water cluster, as predicted by molecular dynamics simulations. We believe these findings have important implications for designing new anti-influenza drugs.

  4. Unraveling the dynamics and structure of functionalized self-assembled monolayers on gold using 2D IR spectroscopy and MD simulations

    PubMed Central

    Yan, Chang; Yuan, Rongfeng; Pfalzgraff, William C.; Nishida, Jun; Wang, Lu; Markland, Thomas E.; Fayer, Michael D.

    2016-01-01

    Functionalized self-assembled monolayers (SAMs) are the focus of ongoing investigations because they can be chemically tuned to control their structure and dynamics for a wide variety of applications, including electrochemistry, catalysis, and as models of biological interfaces. Here we combine reflection 2D infrared vibrational echo spectroscopy (R-2D IR) and molecular dynamics simulations to determine the relationship between the structures of functionalized alkanethiol SAMs on gold surfaces and their underlying molecular motions on timescales of tens to hundreds of picoseconds. We find that at higher head group density, the monolayers have more disorder in the alkyl chain packing and faster dynamics. The dynamics of alkanethiol SAMs on gold are much slower than the dynamics of alkylsiloxane SAMs on silica. Using the simulations, we assess how the different molecular motions of the alkyl chain monolayers give rise to the dynamics observed in the experiments. PMID:27044113

  5. WASI-2D: A software tool for regionally optimized analysis of imaging spectrometer data from deep and shallow waters

    NASA Astrophysics Data System (ADS)

    Gege, Peter

    2014-01-01

    An image processing software has been developed which allows quantitative analysis of multi- and hyperspectral data from oceanic, coastal and inland waters. It has been implemented into the Water Colour Simulator WASI, which is a tool for the simulation and analysis of optical properties and light field parameters of deep and shallow waters. The new module WASI-2D can import atmospherically corrected images from airborne sensors and satellite instruments in various data formats and units like remote sensing reflectance or radiance. It can be easily adapted by the user to different sensors and to optical properties of the studied area. Data analysis is done by inverse modelling using established analytical models. The bio-optical model of the water column accounts for gelbstoff (coloured dissolved organic matter, CDOM), detritus, and mixtures of up to 6 phytoplankton classes and 2 spectrally different types of suspended matter. The reflectance of the sea floor is treated as sum of up to 6 substrate types. An analytic model of downwelling irradiance allows wavelength dependent modelling of sun glint and sky glint at the water surface. The provided database covers the spectral range from 350 to 1000 nm in 1 nm intervals. It can be exchanged easily to represent the optical properties of water constituents, bottom types and the atmosphere of the studied area.

  6. High-power THz to IR emission by femtosecond laser irradiation of random 2D metallic nanostructures

    NASA Astrophysics Data System (ADS)

    Zhang, Liangliang; Mu, Kaijun; Zhou, Yunsong; Wang, Hai; Zhang, Cunlin; Zhang, X.-C.

    2015-07-01

    Terahertz (THz) spectroscopic sensing and imaging has identified its potentials in a number of areas such as standoff security screening at portals, explosive detection at battle fields, bio-medical research, and so on. With these needs, the development of an intense and broadband THz source has been a focus of THz research. In this work, we report an intense (~10 mW) and ultra-broadband (~150 THz) THz to infrared (IR) source with a Gaussian wavefront, emitted from nano-pore-structured metallic thin films with femtosecond laser pulse excitation. The underlying mechanism has been proposed as thermal radiation. In addition, an intense coherent THz signal was generated through the optical rectification process simultaneously with the strong thermal signal. This unique feature opens up new avenues in biomedical research.

  7. High-power THz to IR emission by femtosecond laser irradiation of random 2D metallic nanostructures.

    PubMed

    Zhang, Liangliang; Mu, Kaijun; Zhou, Yunsong; Wang, Hai; Zhang, Cunlin; Zhang, X-C

    2015-07-24

    Terahertz (THz) spectroscopic sensing and imaging has identified its potentials in a number of areas such as standoff security screening at portals, explosive detection at battle fields, bio-medical research, and so on. With these needs, the development of an intense and broadband THz source has been a focus of THz research. In this work, we report an intense (~10 mW) and ultra-broadband (~150 THz) THz to infrared (IR) source with a Gaussian wavefront, emitted from nano-pore-structured metallic thin films with femtosecond laser pulse excitation. The underlying mechanism has been proposed as thermal radiation. In addition, an intense coherent THz signal was generated through the optical rectification process simultaneously with the strong thermal signal. This unique feature opens up new avenues in biomedical research.

  8. Identifying residual structure in intrinsically disordered systems: a 2D IR spectroscopic study of the GVGXPGVG peptide.

    PubMed

    Lessing, Joshua; Roy, Santanu; Reppert, Mike; Baer, Marcel; Marx, Dominik; Jansen, Thomas La Cour; Knoester, Jasper; Tokmakoff, Andrei

    2012-03-21

    The peptide amide-I vibration of a proline turn encodes information on the turn structure. In this study, FTIR, two-dimensional IR spectroscopy and molecular dynamics simulations were employed to characterize the varying turn conformations that exist in the GVGX(L)PGVG family of disordered peptides. This analysis revealed that changing the size of the side chain at the X amino acid site from Gly to Ala to Val substantially alters the conformation of the peptide. To quantify this effect, proline peak shifts and intensity changes were compared to a structure-based spectroscopic model. These simulated spectra were used to assign the population of type-II β turns, bulged turns, and irregular β turns for each peptide. Of particular interest was the Val variant commonly found in the protein elastin, which contained a 25% population of irregular β turns containing two peptide hydrogen bonds to the proline C═O.

  9. Combination of transient 2D-IR experiments and ab initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids.

    PubMed

    Di Donato, Mariangela; Segado Centellas, Mireia; Lapini, Andrea; Lima, Manuela; Avila, Francisco; Santoro, Fabrizio; Cappelli, Chiara; Righini, Roberto

    2014-08-14

    The excited state dynamics of carbonyl carotenoids is very complex because of the coupling of single- and doubly excited states and the possible involvement of intramolecular charge-transfer (ICT) states. In this contribution we employ ultrafast infrared spectroscopy and theoretical computations to investigate the relaxation dynamics of trans-8'-apo-β-carotenal occurring on the picosecond time scale, after excitation in the S2 state. In a (slightly) polar solvent like chloroform, one-dimensional (T1D-IR) and two-dimensional (T2D-IR) transient infrared spectroscopy reveal spectral components with characteristic frequencies and lifetimes that are not observed in nonpolar solvents (cyclohexane). Combining experimental evidence with an analysis of CASPT2//CASSCF ground and excited state minima and energy profiles, complemented with TDDFT calculations in gas phase and in solvent, we propose a photochemical decay mechanism for this system where only the bright single-excited 1Bu(+) and the dark double-excited 2Ag(-) states are involved. Specifically, the initially populated 1Bu(+) relaxes toward 2Ag(-) in 200 fs. In a nonpolar solvent 2Ag(-) decays to the ground state (GS) in 25 ps. In polar solvents, distortions along twisting modes of the chain promote a repopulation of the 1Bu(+) state which then quickly relaxes to the GS (18 ps in chloroform). The 1Bu(+) state has a high electric dipole and is the main contributor to the charge-transfer state involved in the dynamics in polar solvents. The 2Ag(-) → 1Bu(+) population transfer is evidenced by a cross peak on the T2D-IR map revealing that the motions along the same stretching of the conjugated chain on the 2Ag(-) and 1Bu(+) states are coupled.

  10. Critical Slowing of Density Fluctuations Approaching the Isotropic-Nematic Transition in Liquid Crystals: 2D IR Measurements and Mode Coupling Theory.

    PubMed

    Sokolowsky, Kathleen P; Bailey, Heather E; Hoffman, David J; Andersen, Hans C; Fayer, Michael D

    2016-07-21

    Two-dimensional infrared (2D IR) data are presented for a vibrational probe in three nematogens: 4-cyano-4'-pentylbiphenyl, 4-cyano-4'-octylbiphenyl, and 4-(trans-4-amylcyclohexyl)-benzonitrile. The spectral diffusion time constants in all three liquids in the isotropic phase are proportional to [T*/(T - T*)](1/2), where T* is 0.5-1 K below the isotropic-nematic phase transition temperature (TNI). Rescaling to a reduced temperature shows that the decays of the frequency-frequency correlation function (FFCF) for all three nematogens fall on the same curve, suggesting a universal dynamic behavior of nematogens above TNI. Spectral diffusion is complete before significant orientational relaxation in the liquid, as measured by optically heterodyne detected-optical Kerr effect (OHD-OKE) spectroscopy, and before any significant orientational randomization of the probe measured by polarization selective IR pump-probe experiments. To interpret the OHD-OKE and FFCF data, we constructed a mode coupling theory (MCT) schematic model for the relationships among three correlation functions: ϕ1, a correlator for large wave vector density fluctuations; ϕ2, the orientational correlation function whose time derivative is the observable in the OHD-OKE experiment; and ϕ3, the FFCF for the 2D IR experiment. The equations for ϕ1 and ϕ2 match those in the previous MCT schematic model for nematogens, and ϕ3 is coupled to the first two correlators in a straightforward manner. Resulting models fit the data very well. Across liquid crystals, the temperature dependences of the coupling constants show consistent, nonmonotonic behavior. A remarkable change in coupling occurs at ∼5 K above TNI, precisely where the rate of spectral diffusion in 5CB was observed to deviate from that of a similar nonmesogenic liquid.

  11. Recent developments and applications with gas cell correlation spectrometer. [IR sensing of air pollution

    NASA Technical Reports Server (NTRS)

    Barringer, A. R.; Davies, J. H.; Floyd, G.

    1978-01-01

    Gaspec, a gas filter correlation spectrometer, is described. Gaspec is a dual-gas three-channel instrument using two detectors which receive amplitude-shared source signals modulated at the frequency of the chopper. Several units for operation around the 3-5 micron and the 8-15 micron region have been constructed, and gases such as CO2, CO, CH4, HCl, NO, and hydrazines can be detected. Advantages of Gaspec are considered with reference to improvements developed for the basic Cospec (gas cell correlation spectrometer) instrument.

  12. BIRCHES: Compact Broadband IR Spectrometer and the Search for Lunar Volatiles

    NASA Astrophysics Data System (ADS)

    Clark, P. E.; Malphrus, B.; Reuter, D.; MacDowall, R.; Hurford, T.; Brambora, C.; Folta, D.; Farrell, W.

    2016-10-01

    BIRCHES (Broadband InfraRed Compact, High-resolution Exploration Spectrometer) is the payload instrument on Lunar Ice Cube, a science requirements-driven lunar orbiting CubeSat designed to determine volatile distribution as a function of time of day.

  13. Near UV-near IR Fourier transform spectrometer using the beam-folding position-tracking method based on retroreflectors.

    PubMed

    Wang, Xuzhu; Chan, Robert K Y; Cheng, Amelia S K

    2008-12-01

    A near UV-near IR Fourier transform spectrometer based on a beam-folding position-tracking method realized by using retroreflectors is reported. The use of retroreflectors maintains all beams in the beam-fold arrangement in parallel with the incident beams. The beam-folding interferometer used for position tracking is arranged to have optical path symmetry with the measurement interferometer in the zero path difference position of the measurement interferometer, and the vertex of the movable retroreflector in the measurement interferometer is arranged very close to the midpoint of the vertices of two movable retroreflectors in the position-tracking interferometer. These measures keep the equivalent optical axis of the position-tracking interferometer well in line with that of the measurement interferometer even with translational misalignments. Therefore, the change in the optical path difference of the position-tracking interferometer is always synchronous to that of the measurement interferometer during the scanning process. That is, the position-tracking error can be suppressed to very small values during a scan. We have demonstrated a UV-near IR Fourier transform spectrometer with a standard quality ball-bearing translation stage achieving a resolution close to the theoretical resolution of approximately 0.28 cm(-1) at the He-Ne laser wavelength when the scan distance reaches the travel distance of over 2 cm. This was achieved without the need for elaborate optics, sophisticated detecting electronics, and high-precision servomotion control.

  14. On-Chip Micro-Electro-Mechanical System Fourier Transform Infrared (MEMS FT-IR) Spectrometer-Based Gas Sensing.

    PubMed

    Erfan, Mazen; Sabry, Yasser M; Sakr, Mohammad; Mortada, Bassem; Medhat, Mostafa; Khalil, Diaa

    2016-05-01

    In this work, we study the detection of acetylene (C2H2), carbon dioxide (CO2) and water vapor (H2O) gases in the near-infrared (NIR) range using an on-chip silicon micro-electro-mechanical system (MEMS) Fourier transform infrared (FT-IR) spectrometer in the wavelength range 1300-2500 nm (4000-7692 cm(-1)). The spectrometer core engine is a scanning Michelson interferometer micro-fabricated using a deep-etching technology producing self-aligned components. The light is free-space propagating in-plane with respect to the silicon chip substrate. The moving mirror of the interferometer is driven by a relatively large stroke electrostatic comb-drive actuator corresponding to about 30 cm(-1) resolution. Multi-mode optical fibers are used to connect light between the wideband light source, the interferometer, the 10 cm gas cell, and the optical detector. A wide dynamic range of gas concentration down to 2000 parts per million (ppm) in only 10 cm length gas cell is demonstrated. Extending the wavelength range to the mid-infrared (MIR) range up to 4200 nm (2380 cm(-1)) is also experimentally demonstrated, for the first time, using a bulk micro-machined on-chip MEMS FT-IR spectrometer. The obtained results open the door for an on-chip optical gas sensor for many applications including environmental sensing and industrial process control in the NIR/MIR spectral ranges.

  15. FLAMINGOS-2: A Near-IR Multi-Object Spectrometer Ideal for Surveying the Galactic Center

    NASA Astrophysics Data System (ADS)

    Raines, S. Nicholas; Eikenberry, Stephen S.; Bandyopadhyay, Reba M.

    2008-05-01

    FLAMINGOS-2 (PI: S. Eikenberry) is a $5M facility-class near-infrared (1-2.5 μm) multi-object spectrometer and wide-field imager being built at the University of Florida for Gemini South. Here we highlight the capabilities of FLAMINGOS-2, as it will be an ideal instrument for surveying the accreting binary population in the Galactic Center.

  16. Ultrafast vibrational spectroscopy (2D-IR) of CO{sub 2} in ionic liquids: Carbon capture from carbon dioxide’s point of view

    SciTech Connect

    Brinzer, Thomas; Berquist, Eric J.; Ren, Zhe; Dutta, Samrat; Johnson, Clinton A.; Krisher, Cullen S.; Lambrecht, Daniel S.; Garrett-Roe, Sean

    2015-06-07

    The CO{sub 2}ν{sub 3} asymmetric stretching mode is established as a vibrational chromophore for ultrafast two-dimensional infrared (2D-IR) spectroscopic studies of local structure and dynamics in ionic liquids, which are of interest for carbon capture applications. CO{sub 2} is dissolved in a series of 1-butyl-3-methylimidazolium-based ionic liquids ([C{sub 4}C{sub 1}im][X], where [X]{sup −} is the anion from the series hexafluorophosphate (PF{sub 6}{sup −}), tetrafluoroborate (BF{sub 4}{sup −}), bis-(trifluoromethyl)sulfonylimide (Tf{sub 2}N{sup −}), triflate (TfO{sup −}), trifluoroacetate (TFA{sup −}), dicyanamide (DCA{sup −}), and thiocyanate (SCN{sup −})). In the ionic liquids studied, the ν{sub 3} center frequency is sensitive to the local solvation environment and reports on the timescales for local structural relaxation. Density functional theory calculations predict charge transfer from the anion to the CO{sub 2} and from CO{sub 2} to the cation. The charge transfer drives geometrical distortion of CO{sub 2}, which in turn changes the ν{sub 3} frequency. The observed structural relaxation timescales vary by up to an order of magnitude between ionic liquids. Shoulders in the 2D-IR spectra arise from anharmonic coupling of the ν{sub 2} and ν{sub 3} normal modes of CO{sub 2}. Thermal fluctuations in the ν{sub 2} population stochastically modulate the ν{sub 3} frequency and generate dynamic cross-peaks. These timescales are attributed to the breakup of ion cages that create a well-defined local environment for CO{sub 2}. The results suggest that the picosecond dynamics of CO{sub 2} are gated by local diffusion of anions and cations.

  17. Immersion grating development for the VLT high-resolution IR echelle spectrometer: status report.

    NASA Astrophysics Data System (ADS)

    Wiedemann, G.

    Infrared immersion gratings are a possible way to realize the very high-resolution option in the planned VLT IR echelle spectrograph. In addition, immersion gratings and particular aspects of their fabrication are of interest to other applications. This paper summarizes the present status of the development program.

  18. An Optical Offgas Sensor Network Incorporating a HG Cavity Ringdown Spectrometer and IR Diode Lasers

    SciTech Connect

    George P. Miller

    2007-12-30

    A multi-element cavity ringdown system was evaluated with the objective of developing an intelligent sensor network to be incorporated into the control systems for advanced coal combustion facilities. Using a combination of a YAG-pumped dye laser and a tunable NIR/IR laser a dual cavity was constructed and a labview program was developed to provide multi-channel, real-time data to permit the real-time monitoring of typical exhaust emission gases, (for example: CO{sub 2}, SO{sub 2}, and mercury) of concern to the next generation of coal-powered facilities.

  19. Upgrading and testing program for narrow band high resolution planetary IR imaging spectrometer

    NASA Technical Reports Server (NTRS)

    Wattson, R. B.; Rappaport, S.

    1977-01-01

    An imaging spectrometer, intended primarily for observations of the outer planets, which utilizes an acoustically tuned optical filter (ATOF) and a charge coupled device (CCD) television camera was modified to improve spatial resolution and sensitivity. The upgraded instrument was a spatial resolving power of approximately 1 arc second, as defined by an f/7 beam at the CCD position and it has this resolution over the 50 arc second field of view. Less vignetting occurs and sensitivity is four times greater. The spectral resolution of 15 A over the wavelength interval 6500 A - 11,000 A is unchanged. Mechanical utility has been increased by the use of a honeycomb optical table, mechanically rigid yet adjustable optical component mounts, and a camera focus translation stage. The upgraded instrument was used to observe Venus and Saturn.

  20. Parallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra.

    PubMed

    Woys, Ann Marie; Almeida, Aaron M; Wang, Lu; Chiu, Chi-Cheng; McGovern, Michael; de Pablo, Juan J; Skinner, James L; Gellman, Samuel H; Zanni, Martin T

    2012-11-21

    Infrared spectroscopy is playing an important role in the elucidation of amyloid fiber formation, but the coupling models that link spectra to structure are not well tested for parallel β-sheets. Using a synthetic macrocycle that enforces a two stranded parallel β-sheet conformation, we measured the lifetimes and frequency for six combinations of doubly (13)C═(18)O labeled amide I modes using 2D IR spectroscopy. The average vibrational lifetime of the isotope labeled residues was 550 fs. The frequencies of the labels ranged from 1585 to 1595 cm(-1), with the largest frequency shift occurring for in-register amino acids. The 2D IR spectra of the coupled isotope labels were calculated from molecular dynamics simulations of a series of macrocycle structures generated from replica exchange dynamics to fully sample the conformational distribution. The models used to simulate the spectra include through-space coupling, through-bond coupling, and local frequency shifts caused by environment electrostatics and hydrogen bonding. The calculated spectra predict the line widths and frequencies nearly quantitatively. Historically, the characteristic features of β-sheet infrared spectra have been attributed to through-space couplings such as transition dipole coupling. We find that frequency shifts of the local carbonyl groups due to nearest neighbor couplings and environmental factors are more important, while the through-space couplings dictate the spectral intensities. As a result, the characteristic absorption spectra empirically used for decades to assign parallel β-sheet secondary structure arises because of a redistribution of oscillator strength, but the through-space couplings do not themselves dramatically alter the frequency distribution of eigenstates much more than already exists in random coil structures. Moreover, solvent exposed residues have amide I bands with >20 cm(-1) line width. Narrower line widths indicate that the amide I backbone is solvent

  1. Science with FORCAST, the mid-IR imager and grism spectrometer for SOFIA (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Helton, L. Andrew

    2016-09-01

    The Faint Object infraRed CAmera for the SOFIA Telescope (FORCAST) is a dual-channel mid-infrared camera and spectrograph sensitive from 5-40 µm. The Short Wave Camera (SWC) uses a Si:As blocked-impurity band (BIB) array optimized for λ < 25 µm, while the Long Wave Camera's (LWC) Si:Sb BIB array is optimized for λ < 25 µm. Observations can be made through either of the two channels individually or, by use of a dichroic mirror, with both channels simultaneously across most of the range. Spectroscopy is also possible using a suite of four grisms, which provide coverage from 5-40 µm with a low spectral resolution of R = λ =Δλ 200. Since it's commissioning FORCAST has made a number of exciting observations, including the discovery of dust that survived the reverse shock in the supernova remnant Sgr A East, the identification of an asteroid belt analog surrounding ɛ Eridani, and some of the highest resolution mid-IR observations of the transient Galactic circumnuclear ring to date. Here I present a selection of recent SOFIA FORCAST observations and discuss their relevance to a variety of today's most pressing astronomical topics.

  2. Development of a femtosecond time-resolved near-IR multiplex stimulated Raman spectrometer in resonance with transitions in the 900-1550 nm region.

    PubMed

    Takaya, Tomohisa; Iwata, Koichi

    2016-07-21

    Charge transfer and charge delocalisation processes play key roles in the functions of large biomolecular systems and organic/inorganic devices. Many of the short-lived transients involved in these processes can be sensitively detected by monitoring their low-energy electronic transitions in the near-IR region. Ultrafast time-resolved near-IR Raman spectroscopy is a promising tool for investigating the structural dynamics of the short-lived transients as well as their electronic dynamics. In this study, we have developed a femtosecond time-resolved near-IR multiplex stimulated Raman spectrometer using the Raman pump pulse at 1190 nm and a broadband probe pulse covering the 900-1550 nm region. Spectral and temporal instrument responses of the spectrometer are estimated to be 5 cm(-1) and 120 fs, respectively. Time-resolved near-IR stimulated Raman spectra of poly(3-dodecylthiophene) (P3DDT) are recorded in toluene solution for investigating its structural changes following the photoexcitation. The spectra strongly indicate conformational changes of P3DDT in excited states associated with the elongation of its effective conjugation length. The results on P3DDT fully demonstrate the effectiveness of the newly developed femtosecond time-resolved near-IR stimulated Raman spectrometer.

  3. A Broadband IR Compact High Resolution Spectrometer (BIRCHES) for a Lunar Water Distribution (LWaDi) Cubesat Mission

    NASA Astrophysics Data System (ADS)

    Clark, Pamela E.; Macdowall, Robert J.; Reuter, Dennis; Mauk, Robin

    2014-11-01

    We are in the process of developing the BIRCH (Broadband IR for Cubesats with High Resolution) Spectrometer for characterization of a range of deep space targets. BIRCH is the first extremely compact Broadband IR spectrometer with high spectral resolution designed to measure water type and component distribution for a science-driven cubesat mission, such as the lunar orbital mission LWaDi (Lunar Water Distribution) designed to determine the systematics of lunar water and volatiles as a function of time of day, latitude, and terrain. The development of cubesat form factor instruments, such as BIRCH, capable of providing high priority science goals identified in the decadal survey is critical to achieve low cost planetary exploration promised by the cubesat paradigm by exploring volatile systems via orbiting or landed packages. On the Moon, as well as Mercury, Mars, and the asteroids, the source, distribution, and role of volatiles is a question of major importance, and has implications for formation processes, including interior structure, differentiation, and the origin of life in the early solar system. The form and distribution of water has implications for human exploration, resource exploitation, and sample curation. Recent lunar missions gave unanticipated evidence for the water from NIR instruments not optimized for finding it. Our instrument includes a compact broadband HgCdTe detector with a linear variable filter and a compact cryocooler (for operation below 140K) attached to a compact optical system with 2 off-axis parabolic mirrors and variable field stop operating below 240K. Its 10 nm or better resolution and longer wavelength upper range (1.3 to 3.7 microns) are necessary to identify and separate features associated with water type (adsorbed, bound, ice) and components. Its 4-sided adjustable iris at the field stop enables a constant spot size (10 x 10 km) regardless of altitude. BIRCH will be able to provide systematic and extensive enough

  4. Mars' water vapor mapping by the SPICAM IR spectrometer: Five martian years of observations

    NASA Astrophysics Data System (ADS)

    Trokhimovskiy, Alexander; Fedorova, Anna; Korablev, Oleg; Montmessin, Franck; Bertaux, Jean-Loup; Rodin, Alexander; Smith, Michael D.

    2015-05-01

    The SPICAM IR instrument on the Mars Express mission continuously observes the water vapor in the martian atmosphere starting from 2004 in the 1.38-μm spectral band. The water vapor column abundance is retrieved from nadir observations to characterize its spatial, seasonal and interannual variations. A reference set of SPICAM water vapor column abundances (zonally averaged) covering the time period from 2004 to 2013 (martian years 27-31) is available for a grid of 2° Ls × 2° latitude, along with an average reference map of water vapor abundance combining all the martian years of Mars Express observations. Compared to the previous data retrieval by Fedorova et al. (Fedorova, A., Korablev, O., Bertaux, J.L., Rodin, A., Kiselev, A., Perrier, S. [2006]. J. Geophys. Res. 111, E09S08) the new processing algorithm includes many improvements concerning the calibration and assumed parameters. A major improvement is the account for aerosol scattering based on dust and water ice cloud optical depths measured by THEMIS/Mars Odyssey (Smith, M.D. [2009]. Icarus 202, 444-452). The account for multiple scattering by aerosol particles increases the retrieved water vapor amount by ∼10% in polar areas during summer, and up to 60-70% for large solar zenith angles. The sensitivity of the results to aerosol properties, surface albedo, solar spectrum, and water vapor vertical distribution has also been studied. The retrieved water vapor reveals nominal annual cycle with maximum abundance of about 60-70 pr. μm for the Northern summer and ∼20 pr. μm for the Southern summer. The annual average amount of water has been estimated to be of 10-20 pr. μm, in agreement with other measurements. From year to year the seasonal cycle of water vapor abundance is very stable. An observed decrease during the MY 28 global dust storm cannot be fully attributed to the masking effect of dust, and indicates a real decrease of water amount near or above the surface. No evidence of diurnal variation

  5. Computed Tomography Imaging Spectrometer (CTIS) with 2D Reflective Grating for Ultraviolet to Long-Wave Infrared Detection Especially Useful for Surveying Transient Events

    NASA Technical Reports Server (NTRS)

    Wilson, Daniel W. (Inventor); Maker, Paul D. (Inventor); Muller, Richard E. (Inventor); Mouroulis, Pantazis Z. (Inventor)

    2003-01-01

    The optical system of this invention is an unique type of imaging spectrometer, i.e. an instrument that can determine the spectra of all points in a two-dimensional scene. The general type of imaging spectrometer under which this invention falls has been termed a computed-tomography imaging spectrometer (CTIS). CTIS's have the ability to perform spectral imaging of scenes containing rapidly moving objects or evolving features, hereafter referred to as transient scenes. This invention, a reflective CTIS with an unique two-dimensional reflective grating, can operate in any wavelength band from the ultraviolet through long-wave infrared. Although this spectrometer is especially useful for events it is also for investigation of some slow moving phenomena as in the life sciences.

  6. Computed tomography imaging spectrometer (CTIS) with 2D reflective grating for ultraviolet to long-wave infrared detection especially useful for surveying transient events

    NASA Technical Reports Server (NTRS)

    Wilson, Daniel W. (Inventor); Maker, Paul D. (Inventor); Muller, Richard E. (Inventor); Mouroulis, Pantazis Z. (Inventor)

    2003-01-01

    The optical system of this invention is an unique type of imaging spectrometer, i.e. an instrument that can determine the spectra of all points in a two-dimensional scene. The general type of imaging spectrometer under which this invention falls has been termed a computed-tomography imaging spectrometer (CTIS). CTIS's have the ability to perform spectral imaging of scenes containing rapidly moving objects or evolving features, hereafter referred to as transient scenes. This invention, a reflective CTIS with an unique two-dimensional reflective grating, can operate in any wavelength band from the ultraviolet through long-wave infrared. Although this spectrometer is especially useful for rapidly occurring events it is also useful for investigation of some slow moving phenomena as in the life sciences.

  7. Tunable diode laser IR spectrometer for in situ measurements of the gas phase composition and particle size distribution of Titan's atmosphere

    NASA Technical Reports Server (NTRS)

    Webster, Christopher R.; Sander, Stanley P.; Beer, Reinhard; May, Randy D.; Knollenberg, Robert G.

    1990-01-01

    A new instrument, the Probe Infrared Laser Spectrometer (PIRLS), is described for in situ sensing of the gas composition and particle size distribution of Titan's atmosphere on the NASA/ESA Cassini mission. For gas composition measurements, several narrow-band (0.0001/cm) tunable lead-salt diode lasers operating near 80 K at selected mid-IR wavelengths are directed over a path length defined by a small reflector extending over the edge of the probe spacecraft platform; volume mixing ratios of 10 to the -9th should be measurable for several species of interest. A cloud-particle-size spectrometer using a diode laser source at 780 nm shares the optical path and deployed reflector; a combination of imaging and light scattering techniques is used to determine sizes of haze and cloud particles and their number density as a function of altitude.

  8. Recent results on photonic devices made by laser writing: 3D 3T near IR waveguides, mid-IR spectrometers and electro-optic beam combiners

    NASA Astrophysics Data System (ADS)

    Martin, G.; Vázquez de Aldana, J. R.; Rodenas, A.; d'Amico, C.; Stoian, R.

    2016-07-01

    Direct laser writing is a powerful technique for the development of astrophotonic devices, namely by allowing 3D structuring of waveguides and structures. One of the main interests is the possibility to avoid in-plane crossings of waveguides that can induce losses and crosstalk in future multi-telescope beam combiners. We will present our results in 3D three telescope beam combiners in the near infrared, that allow for phase closure studies. Besides, laser writing can be used to inscribe a grating over long distances along the waveguide direction. This can be used as an on-chip diffraction grating or as a way to sample a stationary wave that can be obtained in the waveguide. Thus, integrated optics spectrometers based on the SWIFTS concept (stationary wave integrated Fourier transform spectrometer) have been realized and characterized in the near and mid infrared using commercial chalcogenide glasses. Finally, we will also present our results on laser writing on electro-optic materials, that allow to obtain waveguides and beam combiners that can be phase-modulated using electrodes. We have focused our work on two well-known materials: Lithium Niobate, that allows for TM waveguides and has a high electro-optical coefficient, and BGO, that has a lower coefficient, but presents the advantage of being isotropic, guiding both TE and TM polarizations identically.

  9. Identification of the Excited-State C═C and C═O Modes of trans-β-Apo-8'-carotenal with Transient 2D-IR-EXSY and Femtosecond Stimulated Raman Spectroscopy.

    PubMed

    Di Donato, Mariangela; Ragnoni, Elena; Lapini, Andrea; Kardaś, Tomasz M; Ratajska-Gadomska, Boźena; Foggi, Paolo; Righini, Roberto

    2015-05-07

    Assigning the vibrational modes of molecules in the electronic excited state is often a difficult task. Here we show that combining two nonlinear spectroscopic techniques, transient 2D exchange infrared spectroscopy (T2D-IR-EXSY) and femtosecond stimulated Raman spectroscopy (FSRS), the contribution of the C═C and C═O modes in the excited-state vibrational spectra of trans-β-apo-8'-carotenal can be unambiguously identified. The experimental results reported in this work confirm a previously proposed assignment based on quantum-chemical calculations and further strengthen the role of an excited state with charge-transfer character in the relaxation pathway of carbonyl carotenoids. On a more general ground, our results highlight the potentiality of nonlinear spectroscopic methods based on the combined use of visible and infrared pulses to correlate structural and electronic changes in photoexcited molecules.

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

    PubMed

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

    2015-08-20

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

  11. A calibration method for the measurement of IR detector spectral responses using a FTIR spectrometer equipped with a DTGS reference cell

    NASA Astrophysics Data System (ADS)

    Gravrand, Olivier; Wlassow, J.; Bonnefond, L.

    2014-07-01

    Various high performance IR detectors are today available on the market from QWIPs to narrow gap semiconductor photodiodes, which exhibit various spectral features. In the astrophysics community, the knowledge of the detector spectral shape is of first importance. This quantity (spectral QE or response) is usually measured by means of a monochromator followed by an integrating sphere and compared to a calibrated reference detector. This approach is usually very efficient in the visible range, where all optical elements are very well known, particularly the reference detector. This setup is also widely used in the near IR (up to 3μm) but as the wavelength increases, it becomes less efficient. For instance, the internal emittance of integrating spheres in the IR, and the bad knowledge of reference detectors for longer wavelengths tend to degrade the measurement reliability. Another approach may therefore be considered, using a Fourier transform IR spectrometer (FTIR). In this case, as opposed to the monochromator, the tested detector is not in low flux condition, the incident light containing a mix of different wavelengths. Therefore, the reference detector has to be to be sensitive (and known) in the whole spectral band of interest, because it will sense all those wavelengths at the same time. A popular detector used in this case is a Deuterated Triglycine Sulfate thermal detector (DTGS). Being a pyro detetector, the spectral response of such a detector is very flat, mainly limited by its window. However, the response of such a detector is very slow, highly depending on the temporal frequency of the input signal. Moreover, being a differential detector, it doesn't work in DC. In commercial FTIR spectrometers, the source luminance is usually continuously modulated by the moving interferometer, and the result is that the interferogram mixes optical spectral information (optical path difference) and temporal variations (temporal frequency) so that the temporal

  12. WaFIRS, a Waveguide Far-IR Spectrometer: Enabling Space-Borne Spectroscopy of High-z Galaxies in the Far-IR and Submm

    NASA Technical Reports Server (NTRS)

    Bradford, C. M.; Bock, J. J.; Dragovan, M.; Earle, L.; Glenn, J.; Naylor, B.; Nguyen, H.; Zmuidzinas, J.

    2004-01-01

    The discovery of galaxies beyond z approximately equal to 1 which emit the bulk of their luminosity at long wavelengths has demonstrated the need for high sensitivity, broadband spectroscopy in the far-IR/submm/mm bands. Because many of these sources are not detectable in the optical, long wavelength spectroscopy is key to measuring their redshifts and ISM conditions. The continuum source list will increase in the next decade with new ground-based instruments (SCUBA2, Bolocam, MAMBO) and the surveys of HSO and SIRTF. Yet the planned spectroscopic capabilities lag behind, primarily due to the difficulty in scaling existing IR spectrograph designs to longer wavelengths. To overcome these limitations, we are developing WaFIRS, a novel concept for long-wavelength spectroscopy which utilizes a parallel-plate waveguide and a curved diffraction grating. WaFIRS provides the large (approximately 60%) instantaneous bandwidth and high throughput of a conventional grating system, but offers a dramatic reduction in volume and mass. WaFIRS requires no space overheads for extra optical elements beyond the diffraction grating itself, and is two-dimensional because the propagation is confined between two parallel plates. Thus several modules could be stacked to multiplex either spatially or in different frequency bands. The size and mass savings provide opportunities for spectroscopy from space-borne observatories which would be impractical with conventional spectrographs. With background-limited detectors and a cooled 3.5 telescope, the line sensitivity would be better than that of ALMA, with instantaneous broad-band coverage. We have built and tested a WaFIRS prototype for 1-1.6 mm, and are currently constructing Z-Spec, a 100 mK model to be used as a ground-based lambda/DELTAlambda approximately equal to 350 submillimeter galaxy redshift machine.

  13. Rocketborne cryogenic (10 K) high-resolution interferometer spectrometer flight HIRIS: auroral and atmospheric IR emission spectra.

    PubMed

    Stair, A T; Pritchard, J; Coleman, I; Bohne, C; Williamson, W; Rogers, J; Rawlins, W T

    1983-04-01

    A Michelson interferometer spectrometer cooled to 10 degrees by liquid helium was flown into an IBC class III aurora on 1 April 1976 from Poker Flat, Alas. The sensor, HIRIS, covered the spectral range 455-2500 wave numbers (4-22 microm) with a spectral resolution of 1.8 cm(-1) and an NESR of 5 x 10-12 W/cm2 scrm(-1) at 1000 cm(-1). An atmospheric emission spectrum was obtained every 0.7 sec over an altitude range of 70-125 km. Atmospheric spectra were obtained of CO2 (nu3), NO (Deltanu = 1), O3 (nu3) and CO2 (nu2). Auroral produced excitations were observed for each band, this being the first known measurement of auroral enhancements of O3 (nu3), 9.6 microm, and CO2 (nu2), 15 microm, emissions.

  14. Remote sensing of the surface emissivity at 9 microns over the globe. [over desert regions with IR Interferometer Spectrometer data

    NASA Technical Reports Server (NTRS)

    Prabhakara, C.; Dalu, G.

    1976-01-01

    The infrared spectral measurements made by the Nimbus 4 infrared interferometer spectrometer (Iris) for a period of about 10 months are used to study the surface emissivity properties over the globe. It is found that the surface emissivity at 9 microns, as measured by Iris with a circular field of view of about 100-km diameter, is significantly less than unity over arid and semiarid areas. The spectral features in the 8-12-micron window observed over these lands reveal emissivity characteristics essentially due to quartz (SiO2). It is found that these emissivity features are significantly weakened by the presence of clay, clay horizons, or pedogenic horizons in the soil. Low emissivity is observed over sandy or sandy loam areas (psamments) with no clay or pedogenic horizons.

  15. Development of a Near-Ir Cavity Enhanced Absorption Spectrometer for the Detection of Atmospheric Oxidation Products and Organoamines

    NASA Astrophysics Data System (ADS)

    Eddingsaas, Nathan C.; Jewell, Breanna; Thurnherr, Emily

    2014-06-01

    An estimated 10,000 to 100,000 different compounds have been measured in the atmosphere, each one undergoes many oxidation reactions that may or may not degrade air quality. To date, the fate of even some of the most abundant hydrocarbons in the atmosphere is poorly understood. One difficulty is the detection of atmospheric oxidation products that are very labile and decompose during analysis. To study labile species under atmospheric conditions, a highly sensitive, non-destructive technique is needed. Here we describe a near-IR incoherent broadband cavity enhanced absorption spectroscopy (IBBCEAS) setup that we are developing to meet this end. We have chosen to utilize the near-IR, where vibrational overtone absorptions are observed, due to the clean spectral windows and better spectral separation of absorption features. In one spectral window we can simultaneously and continuously monitor the composition of alcohols, hydroperoxides, and carboxylic acids in an air mass. In addition, we have used our CEAS setup to detect organoamines. The long effective path length of CEAS allows for low detection limits, even of the overtone absorption features, at ppb and ppt levels.

  16. The Onset of Comet C/2012 S1 ISON's Volatile Activity as Observed by the Deep Impact HRI-IR Spectrometer

    NASA Astrophysics Data System (ADS)

    Feaga, Lori M.; Sunshine, J. M.; A'Hearn, M. F.; Farnham, T. L.; Protopapa, S.; Wellnitz, D. D.; Klaasen, K. P.; Himes, T. W.

    2013-10-01

    In February 2013, the Deep Impact Flyby (DIF) spacecraft observed comet C/2012 S1 ISON when the comet was ~4.7 AU from the Sun. As expected, the High Resolution Instrument Infrared Spectrometer (HRI-IR) did not detect the comet between 1.05 and 4.85 microns, a wavelength range where ro-vibrational bands of H2O, CO2, and CO, can be measured simultaneously. These measurements provide upper limits for the volatile activity. Additional pre-perihelion observations are scheduled for July/August 2013 when ISON is visible to the DIF, but unobservable from Earth. During this window, ISON is close to the water snow line 2.5 AU) and measurable activity is predicted. ISON, a dynamically new Oort Cloud comet, will be compared to the dynamically young comet C/2009 P1 Garradd, which was observed in March 2012. In those observations, HRI-IR detected H2O, CO2, and an unusually high abundance of CO post-perihelion at 2 AU. Results will also be compared to DI narrow-band measurements acquired in the same time period for both comets.

  17. Two-dimensional heterospectral correlation analysis of water and liquid oleic acid using an online near-infrared/mid-infrared dual-region spectrometer.

    PubMed

    Genkawa, Takuma; Watari, Masahiro; Nishii, Takashi; Suzuki, Masao; Ozaki, Yukihiro

    2013-07-01

    Two-dimensional (2D) near-infrared (NIR) and mid-infrared (mid-IR) heterospectral correlation analyses were used to characterize temperature-dependent spectral variations of water and liquid oleic acid (OA), utilizing a dataset obtained with an online NIR/mid-IR dual-region spectrometer. The spectrometer facilitated sequential acquisition of both NIR (10 000-4000 cm(-1)) and mid-IR (5000-1200 cm(-1)) spectra, which compose the spectral dataset required for 2D NIR/mid-IR heterospectral correlation analysis. Both NIR and mid-IR spectra were obtained under the same conditions by using the same sample compartment, more quickly and easily than is possible when using existing spectrometers. Successful 2D NIR/mid-IR correlation analysis was performed with the data collected with this instrument to characterize the temperature dependence of the molecular structures of water and pure liquid OA. Temperature-induced NIR/mid-IR spectral changes for water and OA were analyzed in detail, and band assignments in the NIR and mid-IR regions were elucidated by 2D NIR/mid-IR heterospectral correlation analysis. The results of this study indicate that liquid water consists of two major species, strongly hydrogen-bonded species and weakly hydrogen-bonded species, as well as one minor species. Additionally, OA was found to form an intermolecularly hydrogen-bonded species in which a single hydrogen bond of the dimer was broken; a mid-IR band at 1724 cm(-1) was assigned to this species. Moreover, 2D NIR/mid-IR heterospectral correlation analysis revealed that NIR bands at 4690 and 4644 cm(-1) also arose from intermolecularly hydrogen-bonded species. These results demonstrate that 2D NIR/mid-IR heterospectral correlation analysis is useful not only for NIR band assignments, but also for molecular structure studies. The spectrometer we developed makes this analysis even more accessible.

  18. INFRARED MATRIX-ASSISTED LASER DESORPTION ELECTROSPRAY IONIZATION (IR-MALDESI) IMAGING SOURCE COUPLED TO A FT-ICR MASS SPECTROMETER

    PubMed Central

    Robichaud, Guillaume; Barry, Jeremy A.; Garrard, Kenneth P.; Muddiman, David C.

    2013-01-01

    Mass spectrometry imaging (MSI) allows for the direct monitoring of the abundance and spatial distribution of chemical compounds over the surface of a tissue sample. This technology has opened the field of mass spectrometry to numerous innovative applications over the past 15 years. First used with SIMS and MALDI MS that operate under vacuum, interest has grown for mass spectrometry ionization sources that allow for effective imaging but where the analysis can be performed at ambient pressure with minimal or no sample preparation. We introduce here a versatile source for MALDESI imaging analysis coupled to a hybrid LTQ-FT-ICR mass spectrometer. The imaging source offers single shot or multi-shot capability per pixel with full control over the laser repetition rate and mass spectrometer scanning cycle. Scanning rates can be as fast as 1 pixel/second and a spatial resolution of 45 μm was achieved with oversampling. PMID:23208743

  19. Handheld new technology Raman and portable FT-IR spectrometers as complementary tools for the in situ identification of organic materials in modern art

    NASA Astrophysics Data System (ADS)

    Vagnini, M.; Gabrieli, F.; Daveri, A.; Sali, D.

    2017-04-01

    A non-invasive approach has been carried out to characterize painting materials used in modern artworks conserved in the art collection of Carandente's museum at Palazzo Collicola in Spoleto (Italy). This work is focused on the cross-validation of the handheld BRAVO Raman spectrometer, that uses a sequentially Shifted Excitation (SSE) to mitigate fluorescence, for the characterization specifically of organic materials. The analytical procedure, combining XRF, Raman and reflection infrared spectroscopy, allowed a complete characterization of the artists' palettes; particularly eight different synthetic dyes belonging to the class of pigment red (PR) and pigment yellow (PY.), synthetic and traditional binders, such as alkyd resin and lipids have been easily identified.

  20. Infrared absorption of methanethiol clusters (CH3SH)n, n = 2-5, recorded with a time-of-flight mass spectrometer using IR depletion and VUV ionization

    NASA Astrophysics Data System (ADS)

    Fu, Lung; Han, Hui-Ling; Lee, Yuan-Pern

    2012-12-01

    We investigated IR spectra in the CH- and SH-stretching regions of size-selected methanethiol clusters, (CH3SH)n with n = 2-5, in a pulsed supersonic jet using infrared (IR)-vacuum ultraviolet (VUV) ionization. VUV emission at 132.50 nm served as the source of ionization in a time-of-flight mass spectrometer. Clusters were dissociated with light from a tunable IR laser before ionization. The variations in intensity of methanethiol cluster ions (CH3SH)n+ were monitored as the IR laser light was tuned across the range 2470-3100 cm-1. In the SH-stretching region, the spectrum of (CH3SH)2 shows a weak band near 2601 cm-1, red-shifted only 7 cm-1 from that of the monomer. In contrast, all spectra of (CH3SH)n, n = 3-5, show a broad band near 2567 cm-1 with much greater intensity. In the CH-stretching region, absorption bands of (CH3SH)2 are located near 2865, 2890, 2944, and 3010 cm-1, red-shifted by 3-5 cm-1 from those of CH3SH. These red shifts increase slightly for larger clusters and bands near 2856, 2884, 2938, and 3005 cm-1 were observed for (CH3SH)5. These spectral results indicate that the S-H...S hydrogen bond plays an important role in clusters with n = 3-5, but not in (CH3SH)2, in agreement with theoretical predictions. The absence of a band near 2608 cm-1 that corresponds to absorption of the non-hydrogen-bonded SH moiety and the large width of observed feature near 2567 cm-1 indicate that the dominant stable structures of (CH3SH)n, n = 3-5, have a cyclic hydrogen-bonded framework.

  1. Infrared absorption of methanethiol clusters (CH3SH)n, n = 2-5, recorded with a time-of-flight mass spectrometer using IR depletion and VUV ionization.

    PubMed

    Fu, Lung; Han, Hui-Ling; Lee, Yuan-Pern

    2012-12-21

    We investigated IR spectra in the CH- and SH-stretching regions of size-selected methanethiol clusters, (CH(3)SH)(n) with n = 2-5, in a pulsed supersonic jet using infrared (IR)-vacuum ultraviolet (VUV) ionization. VUV emission at 132.50 nm served as the source of ionization in a time-of-flight mass spectrometer. Clusters were dissociated with light from a tunable IR laser before ionization. The variations in intensity of methanethiol cluster ions (CH(3)SH)(n)(+) were monitored as the IR laser light was tuned across the range 2470-3100 cm(-1). In the SH-stretching region, the spectrum of (CH(3)SH)(2) shows a weak band near 2601 cm(-1), red-shifted only 7 cm(-1) from that of the monomer. In contrast, all spectra of (CH(3)SH)(n), n = 3-5, show a broad band near 2567 cm(-1) with much greater intensity. In the CH-stretching region, absorption bands of (CH(3)SH)(2) are located near 2865, 2890, 2944, and 3010 cm(-1), red-shifted by 3-5 cm(-1) from those of CH(3)SH. These red shifts increase slightly for larger clusters and bands near 2856, 2884, 2938, and 3005 cm(-1) were observed for (CH(3)SH)(5). These spectral results indicate that the S-H[middle dot][middle dot][middle dot]S hydrogen bond plays an important role in clusters with n = 3-5, but not in (CH(3)SH)(2), in agreement with theoretical predictions. The absence of a band near 2608 cm(-1) that corresponds to absorption of the non-hydrogen-bonded SH moiety and the large width of observed feature near 2567 cm(-1) indicate that the dominant stable structures of (CH(3)SH)(n), n = 3-5, have a cyclic hydrogen-bonded framework.

  2. Development of the 2nd generation z(Redshift) and early universe spectrometer & the study of far-IR fine structure emission in high-z galaxies

    NASA Astrophysics Data System (ADS)

    Ferkinhoff, Carl

    The 2nd generation z (Redshift) and Early Universe Spectrometer (ZEUS-2), is a long-slit echelle-grating spectrometer (R~1000) for observations at submillimeter wavelengths from 200 to 850 microm. Its design is optimized for the detection of redshifted far-infrared spectral lines from galaxies in the early universe. Combining exquisite sensitivity, broad wavelength coverage, and large (˜2.5%) instantaneous bandwidth, ZEUS-2 is uniquely suited for studying galaxies between z˜0.2 and 5---spanning the peaks in both the star formation rate and number of AGN in the universe. ZEUS-2 saw first light at the Caltech Submillimeter Observatory (CSO) in the Spring of 2012 and was commissioned on the Atacama Pathfinder Experiment (APEX) in November 2012. Here we detail the design and performance of ZEUS-2, first however we discuss important science results that are examples of the science enabled by ZEUS-2. Using the first generation z (Redshift) and Early Universe Spectrometer (ZEUS-1) we made the first high-z detections of the [NII] 122 microm and [OIII] 88 microm lines. We detect these lines from starburst galaxies between z ˜2.5 and 4 demonstrating the utility of these lines for characterizing the properties of early galaxies. Specifically we are able to determine the most massive star still on the main sequence, the number of those stars and a lower limit on the mass of ionized gas in the source. Next we present ZEUS-2's first science result. Using ZEUS-2 on APEX we have detected the [CII] 158 microm line from the z = 1.78 galaxy H-ATLAS J091043.1-000322 with a line flux of (6.44 +/- 0.42) ˜ 10-18 W m-2. Combined with its far-infrared luminosity and a new Herschel-PACS detection of the [OI] 63 microm line we are able to conclude that H-ATLAS J091043.1-000322 is a high redshift analogue of a local ultra-luminous infrared galaxy, i.e. it is likely the site of a compact starburst due to a major merger. This detection, combined with the ZEUS-1 observations of the [NII

  3. Monolithic spectrometer

    DOEpatents

    Rajic, Slobodan; Egert, Charles M.; Kahl, William K.; Snyder, Jr., William B.; Evans, III, Boyd M.; Marlar, Troy A.; Cunningham, Joseph P.

    1998-01-01

    A monolithic spectrometer is disclosed for use in spectroscopy. The spectrometer is a single body of translucent material with positioned surfaces for the transmission, reflection and spectral analysis of light rays.

  4. Monolithic spectrometer

    DOEpatents

    Rajic, S.; Egert, C.M.; Kahl, W.K.; Snyder, W.B. Jr.; Evans, B.M. III; Marlar, T.A.; Cunningham, J.P.

    1998-05-19

    A monolithic spectrometer is disclosed for use in spectroscopy. The spectrometer is a single body of translucent material with positioned surfaces for the transmission, reflection and spectral analysis of light rays. 6 figs.

  5. Vertical 2D Heterostructures

    NASA Astrophysics Data System (ADS)

    Lotsch, Bettina V.

    2015-07-01

    Graphene's legacy has become an integral part of today's condensed matter science and has equipped a whole generation of scientists with an armory of concepts and techniques that open up new perspectives for the postgraphene area. In particular, the judicious combination of 2D building blocks into vertical heterostructures has recently been identified as a promising route to rationally engineer complex multilayer systems and artificial solids with intriguing properties. The present review highlights recent developments in the rapidly emerging field of 2D nanoarchitectonics from a materials chemistry perspective, with a focus on the types of heterostructures available, their assembly strategies, and their emerging properties. This overview is intended to bridge the gap between two major—yet largely disjunct—developments in 2D heterostructures, which are firmly rooted in solid-state chemistry or physics. Although the underlying types of heterostructures differ with respect to their dimensions, layer alignment, and interfacial quality, there is common ground, and future synergies between the various assembly strategies are to be expected.

  6. 2D semiconductor optoelectronics

    NASA Astrophysics Data System (ADS)

    Novoselov, Kostya

    The advent of graphene and related 2D materials has recently led to a new technology: heterostructures based on these atomically thin crystals. The paradigm proved itself extremely versatile and led to rapid demonstration of tunnelling diodes with negative differential resistance, tunnelling transistors, photovoltaic devices, etc. By taking the complexity and functionality of such van der Waals heterostructures to the next level we introduce quantum wells engineered with one atomic plane precision. Light emission from such quantum wells, quantum dots and polaritonic effects will be discussed.

  7. Tellurium halide IR fibers for remote spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Xhang H.; Ma, Hong Li; Blanchetiere, Chantal; Le Foulgoc, Karine; Lucas, Jacques; Heuze, Jean; Colardelle, P.; Froissard, P.; Picque, D.; Corrieu, G.

    1994-07-01

    The new family of IR transmitting glasses, the TeX glasses, based on the association of tellurium and halide (Cl, Br, or I) are characterized by a wide optical window extending from 2 to 18 micrometers and a strong stability towards devitrification. Optical fibers drawn from these glasses exhibit low losses in the 7 - 10 micrometers range (less than 1 dB/m for single index fibers, 1 - 2 dB/m for fibers having a core-clad structure). The TeX glass fibers have been used in a remote analysis set-up which is mainly composed of a FTIR spectrometer coupled with a HgCdTe detector. This prototype system permits qualitative and quantitative analysis in a wide wavelength region lying from 3 to 13 micrometers , covering the fundamental absorption of more organic species. The evolution of a lactic and an alcoholic fermentation has been monitored by means of this set-up.

  8. Computational study of the transition state for H[sub 2] addition to Vaska-type complexes (trans-Ir(L)[sub 2](CO)X). Substituent effects on the energy barrier and the origin of the small H[sub 2]/D[sub 2] kinetic isotope effect

    SciTech Connect

    Abu-Hasanayn, F.; Goldman, A.S.; Krogh-Jespersen, K. )

    1993-06-03

    Ab initio molecular orbital methods have been used to study transition state properties for the concerted addition reaction of H[sub 2] to Vaska-type complexes, trans-Ir(L)[sub 2](CO)X, 1 (L = PH[sub 3] and X = F, Cl, Br, I, CN, or H; L = NH[sub 3] and X = Cl). Stationary points on the reaction path retaining the trans-L[sub 2] arrangement were located at the Hartree-Fock level using relativistic effective core potentials and valence basis sets of double-[zeta] quality. The identities of the stationary points were confirmed by normal mode analysis. Activation energy barriers were calculated with electron correlation effects included via Moller-Plesset perturbation theory carried fully through fourth order, MP4(SDTQ). The more reactive complexes feature structurally earlier transition states and larger reaction exothermicities, in accord with the Hammond postulate. The experimentally observed increase in reactivity of Ir(PPh[sub 3])[sub 2](CO)X complexes toward H[sub 2] addition upon going from X = F to X = I is reproduced well by the calculations and is interpreted to be a consequence of diminished halide-to-Ir [pi]-donation by the heavier halogens. Computed activation barriers (L = PH[sub 3]) range from 6.1 kcal/mol (X = H) to 21.4 kcal/mol (X = F). Replacing PH[sub 3] by NH[sub 3] when X = Cl increases the barrier from 14.1 to 19.9 kcal/mol. Using conventional transition state theory, the kinetic isotope effects for H[sub 2]/D[sub 2] addition are computed to lie between 1.1 and 1.7 with larger values corresponding to earlier transition states. Judging from the computational data presented here, tunneling appears to be unimportant for H[sub 2] addition to these iridium complexes. 51 refs., 4 tabs.

  9. Multidimensional spectrometer

    DOEpatents

    Zanni, Martin Thomas; Damrauer, Niels H.

    2010-07-20

    A multidimensional spectrometer for the infrared, visible, and ultraviolet regions of the electromagnetic spectrum, and a method for making multidimensional spectroscopic measurements in the infrared, visible, and ultraviolet regions of the electromagnetic spectrum. The multidimensional spectrometer facilitates measurements of inter- and intra-molecular interactions.

  10. SCINTILLATION SPECTROMETER

    DOEpatents

    Bell, P.R.; Francis, J.E.

    1960-06-21

    A portable scintillation spectrometer is described which is especially useful in radio-biological studies for determining the uptake and distribution of gamma -emitting substances in tissue. The spectrometer includes a collimator having a plurality of apertures that are hexagonal in cross section. Two crystals are provided: one is activated to respond to incident rays from the collimator; the other is not activated and shields the first from external radiation.

  11. E-2D Advanced Hawkeye Aircraft (E-2D AHE)

    DTIC Science & Technology

    2015-12-01

    Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-364 E-2D Advanced Hawkeye Aircraft (E-2D AHE) As of FY 2017 President’s Budget Defense...Office Estimate RDT&E - Research, Development, Test, and Evaluation SAR - Selected Acquisition Report SCP - Service Cost Position TBD - To Be Determined

  12. Detecting explosive substances by the IR spectrography

    NASA Astrophysics Data System (ADS)

    Kuula, J.; Rinta, Heikki J.; Pölönen, I.; Puupponen, H.-H.; Haukkamäki, Marko; Teräväinen, T.

    2014-05-01

    Fast and safe detection methods of explosive substances are needed both before and after actualized explosions. This article presents an experiment of the detection of three selected explosives by the ATR FTIR spectrometer and by three different IR hyperspectral imaging devices. The IR spectrometers give accurate analyzing results, whereas hyperspectral imagers can detect and analyze desired samples without touching the unidentified target at all. In the controlled explosion experiment TNT, dynamite and PENO were at first analyzed as pure substances with the ATR FTIR spectrometer and with VNIR, SWIR and MWIR cameras. After three controlled explosions also the residues of TNT, dynamite and PENO were analyzed with the same IR devices. The experiments were performed in arctic outdoor conditions and the residues were collected on ten different surfaces. In the measurements the spectra of all three explosives were received as pure substances with all four IR devices. Also the explosion residues of TNT were found on cotton with the IR spectrometer and with VNIR, SWIR and MWIR hyperspectral imagers. All measurements were made directly on the test materials which had been placed on the explosion site and were collected for the analysis after each blast. Measurements were made with the IR spectrometer also on diluted sample. Although further tests are suggested, the results indicate that the IR spectrography is a potential detection method for explosive subjects, both as pure substances and as post-blast residues.

  13. Spectrometer gun

    DOEpatents

    Waechter, David A.; Wolf, Michael A.; Umbarger, C. John

    1985-01-01

    A hand-holdable, battery-operated, microprocessor-based spectrometer gun includes a low-power matrix display and sufficient memory to permit both real-time observation and extended analysis of detected radiation pulses. Universality of the incorporated signal processing circuitry permits operation with various detectors having differing pulse detection and sensitivity parameters.

  14. Spectrometer gun

    DOEpatents

    Waechter, D.A.; Wolf, M.A.; Umbarger, C.J.

    1981-11-03

    A hand-holdable, battery-operated, microprocessor-based spectrometer gun is described that includes a low-power matrix display and sufficient memory to permit both real-time observation and extended analysis of detected radiation pulses. Universality of the incorporated signal processing circuitry permits operation with various detectors having differing pulse detection and sensitivity parameters.

  15. HISS spectrometer

    SciTech Connect

    Greiner, D.E.

    1984-11-01

    This talk describes the Heavy Ion Spectrometer System (HISS) facility at the Lawrence Berkeley Laboratory's Bevalac. Three completed experiments and their results are illustrated. The second half of the talk is a detailed discussion of the response of drift chambers to heavy ions. The limitations of trajectory measurement over a large range in incident particle charge are presented.

  16. Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons.

    PubMed

    Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais

    2015-10-11

    A chiral-at-metal Ir(III) organometallic metallatecton was synthesised as a racemic mixture and as enantiopure complexes and combined with Cu(II) to afford a heterobimetallic (Ir,Cu) grid-type 2D coordination network.

  17. The Spectrometer

    NASA Astrophysics Data System (ADS)

    Greenslade, Thomas B.

    2012-03-01

    In the fall of 1999 I was shown an Ocean Optics spectrometer-in-the-computer at St. Patricks College at Maynooth, Ireland, and thought that I had seen heaven. Of course, it could not resolve the sodium D-lines (I had done that many years before with a homemade wire diffraction grating ), and I began to realize that inside was some familiar old technology. In this paper I would like to discuss its ancestors.

  18. The Spectrometer

    ERIC Educational Resources Information Center

    Greenslade, Thomas B., Jr.

    2012-01-01

    In the fall of 1999 I was shown an Ocean Optics spectrometer-in-the-computer at St. Patricks College at Maynooth, Ireland, and thought that I had seen heaven. Of course, it could not resolve the sodium D-lines (I had done that many years before with a homemade wire diffraction grating), and I began to realize that inside was some familiar old…

  19. Optoelectronics with 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Mueller, Thomas

    2015-03-01

    Two-dimensional (2D) atomic crystals, such as graphene and layered transition-metal dichalcogenides, are currently receiving a lot of attention for applications in electronics and optoelectronics. In this talk, I will review our research activities on electrically driven light emission, photovoltaic energy conversion and photodetection in 2D semiconductors. In particular, WSe2 monolayer p-n junctions formed by electrostatic doping using a pair of split gate electrodes, type-II heterojunctions based on MoS2/WSe2 and MoS2/phosphorene van der Waals stacks, 2D multi-junction solar cells, and 3D/2D semiconductor interfaces will be presented. Upon optical illumination, conversion of light into electrical energy occurs in these devices. If an electrical current is driven, efficient electroluminescence is obtained. I will present measurements of the electrical characteristics, the optical properties, and the gate voltage dependence of the device response. In the second part of my talk, I will discuss photoconductivity studies of MoS2 field-effect transistors. We identify photovoltaic and photoconductive effects, which both show strong photoconductive gain. A model will be presented that reproduces our experimental findings, such as the dependence on optical power and gate voltage. We envision that the efficient photon conversion and light emission, combined with the advantages of 2D semiconductors, such as flexibility, high mechanical stability and low costs of production, could lead to new optoelectronic technologies.

  20. Double resonance rotational spectroscopy of CH2D+

    NASA Astrophysics Data System (ADS)

    Töpfer, Matthias; Jusko, Pavol; Schlemmer, Stephan; Asvany, Oskar

    2016-09-01

    Context. Deuterated forms of CH are thought to be responsible for deuterium enrichment in lukewarm astronomical environments. There is no unambiguous detection of CH2D+ in space to date. Aims: Four submillimetre rotational lines of CH2D+ are documented in the literature. Our aim is to present a complete dataset of highly resolved rotational lines, including millimetre (mm) lines needed for a potential detection. Methods: We used a low-temperature ion trap and applied a novel IR-mm-wave double resonance method to measure the rotational lines of CH2D+. Results: We measured 21 low-lying (J ≤ 4) rotational transitions of CH2D+ between 23 GHz and 1.1 THz with accuracies close to 2 ppb.

  1. MASS SPECTROMETER

    DOEpatents

    White, F.A.

    1960-08-23

    A mass spectrometer is designed with a first adjustable magnetic field for resolving an ion beam into beams of selected masses, a second adjustable magnetic field for further resolving the ion beam from the first field into beams of selected masses, a thin foil disposed in the path of the beam between the first and second magnets to dissociate molecular ions incident thereon, an electrostatic field for further resolving the ion beam from the second field into beams of selected masses, and a detector disposed adjacent to the electrostatic field to receive the ion beam.

  2. Highly crystalline 2D superconductors

    NASA Astrophysics Data System (ADS)

    Saito, Yu; Nojima, Tsutomu; Iwasa, Yoshihiro

    2016-12-01

    Recent advances in materials fabrication have enabled the manufacturing of ordered 2D electron systems, such as heterogeneous interfaces, atomic layers grown by molecular beam epitaxy, exfoliated thin flakes and field-effect devices. These 2D electron systems are highly crystalline, and some of them, despite their single-layer thickness, exhibit a sheet resistance more than an order of magnitude lower than that of conventional amorphous or granular thin films. In this Review, we explore recent developments in the field of highly crystalline 2D superconductors and highlight the unprecedented physical properties of these systems. In particular, we explore the quantum metallic state (or possible metallic ground state), the quantum Griffiths phase observed in out-of-plane magnetic fields and the superconducting state maintained in anomalously large in-plane magnetic fields. These phenomena are examined in the context of weakened disorder and/or broken spatial inversion symmetry. We conclude with a discussion of how these unconventional properties make highly crystalline 2D systems promising platforms for the exploration of new quantum physics and high-temperature superconductors.

  3. Extensions of 2D gravity

    SciTech Connect

    Sevrin, A.

    1993-06-01

    After reviewing some aspects of gravity in two dimensions, I show that non-trivial embeddings of sl(2) in a semi-simple (super) Lie algebra give rise to a very large class of extensions of 2D gravity. The induced action is constructed as a gauged WZW model and an exact expression for the effective action is given.

  4. NASA High-Speed 2D Photogrammetric Measurement System

    NASA Technical Reports Server (NTRS)

    Dismond, Harriett R.

    2012-01-01

    The object of this report is to provide users of the NASA high-speed 2D photogrammetric measurement system with procedures required to obtain drop-model trajectory and impact data for full-scale and sub-scale models. This guide focuses on use of the system for vertical drop testing at the NASA Langley Landing and Impact Research (LandIR) Facility.

  5. 2d-retrieval For Mipas-envisat

    NASA Astrophysics Data System (ADS)

    Steck, T.; von Clarmann, T.; Grabowski, U.; Höpfner, M.

    Limb sounding of the Earth's atmosphere provides vertically high resolved profiles of geophysical parameters. The long ray path through the atmosphere makes limb sounders sensitive to even little abundant species. On the other hand, horizontal in- homogeneities, if not taken into account properly, can cause systematic errors within the retrieval process. Especially for limb emission measurements in the mid IR, at- mopheric temperature gradients result in considerable vmr retrieval errors if they are neglected. We present a dedicated method of taking full 2D fields of state parameters (indepen- dent of tangent points) into account in the forward model and in the retrieval. The basic idea is that the 2D state vector is updated sequentially for each limb scan. This method is applied to the 2D retrieval of temperature and vmr for simulated radiances as expected from MIPAS-ENVISAT.

  6. 2D quasiperiodic plasmonic crystals

    PubMed Central

    Bauer, Christina; Kobiela, Georg; Giessen, Harald

    2012-01-01

    Nanophotonic structures with irregular symmetry, such as quasiperiodic plasmonic crystals, have gained an increasing amount of attention, in particular as potential candidates to enhance the absorption of solar cells in an angular insensitive fashion. To examine the photonic bandstructure of such systems that determines their optical properties, it is necessary to measure and model normal and oblique light interaction with plasmonic crystals. We determine the different propagation vectors and consider the interaction of all possible waveguide modes and particle plasmons in a 2D metallic photonic quasicrystal, in conjunction with the dispersion relations of a slab waveguide. Using a Fano model, we calculate the optical properties for normal and inclined light incidence. Comparing measurements of a quasiperiodic lattice to the modelled spectra for angle of incidence variation in both azimuthal and polar direction of the sample gives excellent agreement and confirms the predictive power of our model. PMID:23209871

  7. Valleytronics in 2D materials

    NASA Astrophysics Data System (ADS)

    Schaibley, John R.; Yu, Hongyi; Clark, Genevieve; Rivera, Pasqual; Ross, Jason S.; Seyler, Kyle L.; Yao, Wang; Xu, Xiaodong

    2016-11-01

    Semiconductor technology is currently based on the manipulation of electronic charge; however, electrons have additional degrees of freedom, such as spin and valley, that can be used to encode and process information. Over the past several decades, there has been significant progress in manipulating electron spin for semiconductor spintronic devices, motivated by potential spin-based information processing and storage applications. However, experimental progress towards manipulating the valley degree of freedom for potential valleytronic devices has been limited until very recently. We review the latest advances in valleytronics, which have largely been enabled by the isolation of 2D materials (such as graphene and semiconducting transition metal dichalcogenides) that host an easily accessible electronic valley degree of freedom, allowing for dynamic control.

  8. Unparticle example in 2D.

    PubMed

    Georgi, Howard; Kats, Yevgeny

    2008-09-26

    We discuss what can be learned about unparticle physics by studying simple quantum field theories in one space and one time dimension. We argue that the exactly soluble 2D theory of a massless fermion coupled to a massive vector boson, the Sommerfield model, is an interesting analog of a Banks-Zaks model, approaching a free theory at high energies and a scale-invariant theory with nontrivial anomalous dimensions at low energies. We construct a toy standard model coupling to the fermions in the Sommerfield model and study how the transition from unparticle behavior at low energies to free particle behavior at high energies manifests itself in interactions with the toy standard model particles.

  9. Quantum coherence selective 2D Raman–2D electronic spectroscopy

    PubMed Central

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-01-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

  10. Quantum coherence selective 2D Raman-2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-03-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  11. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    PubMed

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  12. Infrared fiber coupled acousto-optic tunable filter spectrometer

    NASA Technical Reports Server (NTRS)

    Levin, K. H.; Kindler, E.; Ko, T.; Lee, F.; Tran, D. C.; Tapphorn, R. M.

    1990-01-01

    A spectrometer design is introduced which combines an acoustooptic tunable filter (AOTF) and IR-transmitting flouride-glass fibers. The AOTF crystal is fabricated from TeO2 and permits random access to any wavelength in less than 50 microseconds, and the resulting spectrometer is tested for the remote analysis of gases and hydrocarbons. The AOTF spectrometer, when operated with a high-speed frequency synthesizer and optimized algorithms, permits accurate high-speed spectroscopy in the mid-IR spectral region.

  13. Human- and computer-accessible 2D correlation data for a more reliable structure determination of organic compounds. Future roles of researchers, software developers, spectrometer managers, journal editors, reviewers, publisher and database managers toward artificial-intelligence analysis of NMR spectra.

    PubMed

    Jeannerat, Damien

    2017-01-01

    The introduction of a universal data format to report the correlation data of 2D NMR spectra such as COSY, HSQC and HMBC spectra will have a large impact on the reliability of structure determination of small organic molecules. These lists of assigned cross peaks will bridge signals found in NMR 1D and 2D spectra and the assigned chemical structure. The record could be very compact, human and computer readable so that it can be included in the supplementary material of publications and easily transferred into databases of scientific literature and chemical compounds. The records will allow authors, reviewers and future users to test the consistency and, in favorable situations, the uniqueness of the assignment of the correlation data to the associated chemical structures. Ideally, the data format of the correlation data should include direct links to the NMR spectra to make it possible to validate their reliability and allow direct comparison of spectra. In order to take the full benefits of their potential, the correlation data and the NMR spectra should therefore follow any manuscript in the review process and be stored in open-access database after publication. Keeping all NMR spectra, correlation data and assigned structures together at all time will allow the future development of validation tools increasing the reliability of past and future NMR data. This will facilitate the development of artificial intelligence analysis of NMR spectra by providing a source of data than can be used efficiently because they have been validated or can be validated by future users. Copyright © 2016 John Wiley & Sons, Ltd.

  14. A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

    NASA Astrophysics Data System (ADS)

    Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

    2007-09-01

    This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it

  15. Tropospheric Emission Spectrometer and Airborne Emission Spectrometer

    NASA Technical Reports Server (NTRS)

    Glavich, T.; Beer, R.

    1996-01-01

    The Tropospheric Emission Spectrometer (TES) is an instrument being developed for the NASA Earth Observing System Chemistry Platform. TES will measure the distribution of ozone and its precursors in the lower atmosphere. The Airborne Emission Spectrometer (AES) is an aircraft precursor to TES. Applicable descriptions are given of instrument design, technology challenges, implementation and operations for both.

  16. From Ultrafast Structure Determination to Steering Reactions: Mixed IR/Non-IR Multidimensional Vibrational Spectroscopies.

    PubMed

    van Wilderen, Luuk J G W; Bredenbeck, Jens

    2015-09-28

    Ultrafast multidimensional infrared spectroscopy is a powerful method for resolving features of molecular structure and dynamics that are difficult or impossible to address with linear spectroscopy. Augmenting the IR pulse sequences by resonant or nonresonant UV, Vis, or NIR pulses considerably extends the range of application and creates techniques with possibilities far beyond a pure multidimensional IR experiment. These include surface-specific 2D-IR spectroscopy with sub-monolayer sensitivity, ultrafast structure determination in non-equilibrium systems, triggered exchange spectroscopy to correlate reactant and product bands, exploring the interplay of electronic and nuclear degrees of freedom, investigation of interactions between Raman- and IR-active modes, imaging with chemical contrast, sub-ensemble-selective photochemistry, and even steering a reaction by selective IR excitation. We give an overview of useful mixed IR/non-IR pulse sequences, discuss their differences, and illustrate their application potential.

  17. Bringing NMR and IR Spectroscopy to High Schools

    ERIC Educational Resources Information Center

    Bonjour, Jessica L.; Hass, Alisa L.; Pollock, David W.; Huebner, Aaron; Frost, John A.

    2017-01-01

    Development of benchtop, portable Fourier transform nuclear magnetic resonance (NMR) and infrared (IR) spectrometers has opened up opportunities for creating university-high school partnerships that provide high school students with hands-on experience with NMR and IR instruments. With recent changes to the international baccalaureate chemistry…

  18. Compact Infrared Spectrometers

    NASA Technical Reports Server (NTRS)

    Mouroulis, Pantazis

    2009-01-01

    Concentric spectrometer forms are advantageous for constructing a variety of systems spanning the entire visible to infrared range. Spectrometer examples are given, including broadband or high resolution forms. Some issues associated with the Dyson catadioptric type are also discussed.

  19. NKG2D ligands as therapeutic targets

    PubMed Central

    Spear, Paul; Wu, Ming-Ru; Sentman, Marie-Louise; Sentman, Charles L.

    2013-01-01

    The Natural Killer Group 2D (NKG2D) receptor plays an important role in protecting the host from infections and cancer. By recognizing ligands induced on infected or tumor cells, NKG2D modulates lymphocyte activation and promotes immunity to eliminate ligand-expressing cells. Because these ligands are not widely expressed on healthy adult tissue, NKG2D ligands may present a useful target for immunotherapeutic approaches in cancer. Novel therapies targeting NKG2D ligands for the treatment of cancer have shown preclinical success and are poised to enter into clinical trials. In this review, the NKG2D receptor and its ligands are discussed in the context of cancer, infection, and autoimmunity. In addition, therapies targeting NKG2D ligands in cancer are also reviewed. PMID:23833565

  20. IR Windstreaks

    NASA Technical Reports Server (NTRS)

    2005-01-01

    [figure removed for brevity, see original site]

    Windstreaks are features caused by the interaction of wind and topographic landforms. The raised rims and bowls of impact craters causes a complex interaction such that the wind vortex in the lee of the crater can both scour away the surface dust and deposit it back in the center of the lee. If you look closely, you will see evidence of this in a darker 'rim' enclosing a brighter interior.

    This infrared image shows windstreaks in the region between Gordii Dorsum and Amazonis Mensa.

    Image information: IR instrument. Latitude -15.8, Longitude 215 East (145 West). 97 meter/pixel resolution.

    Note: this THEMIS visual image has not been radiometrically nor geometrically calibrated for this preliminary release. An empirical correction has been performed to remove instrumental effects. A linear shift has been applied in the cross-track and down-track direction to approximate spacecraft and planetary motion. Fully calibrated and geometrically projected images will be released through the Planetary Data System in accordance with Project policies at a later time.

    NASA's Jet Propulsion Laboratory manages the 2001 Mars Odyssey mission for NASA's Office of Space Science, Washington, D.C. The Thermal Emission Imaging System (THEMIS) was developed by Arizona State University, Tempe, in collaboration with Raytheon Santa Barbara Remote Sensing. The THEMIS investigation is led by Dr. Philip Christensen at Arizona State University. Lockheed Martin Astronautics, Denver, is the prime contractor for the Odyssey project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

  1. SUB 1-Millimeter Size Fresnel Micro Spectrometer

    NASA Technical Reports Server (NTRS)

    Park, Yeonjoon; Koch, Laura; Song, Kyo D.; Park, Sangloon; King, Glen; Choi, Sang

    2010-01-01

    An ultra-small micro spectrometer with less than 1mm diameter was constructed using Fresnel diffraction. The fabricated spectrometer has a diameter of 750 nmicrometers and a focal length of 2.4 mm at 533nm wavelength. The micro spectrometer was built with a simple negative zone plate that has an opaque center with an ecliptic shadow to remove the zero-order direct beam to the aperture slit. Unlike conventional approaches, the detailed optical calculation indicates that the ideal spectral resolution and resolving power do not depend on the miniaturized size but only on the total number of rings. We calculated 2D and 3D photon distribution around the aperture slit and confirmed that improved micro-spectrometers below 1mm size can be built with Fresnel diffraction. The comparison between mathematical simulation and measured data demonstrates the theoretical resolution, measured performance, misalignment effect, and improvement for the sub-1mm Fresnel micro-spectrometer. We suggest the utilization of an array of micro spectrometers for tunable multi-spectral imaging in the ultra violet range.

  2. Concepts for compact mid-IR spectroscopy in photochemistry

    NASA Astrophysics Data System (ADS)

    Cu-Nguyen, Phuong-Ha; Wang, Ziyu; Zappe, Hans

    2016-11-01

    Mid-infrared (IR) spectroscopy, typically 3 to 5 µm, is often the technology of choice to monitor the interaction between and concentration of molecules during photochemical reactions. However, classical mid-IR spectrometers are bulky, complex and expensive, making them unsuitable for use in the miniaturized microreactors increasingly being employed for chemical synthesis. We present here the concept for an ultra-miniaturized mid-IR spectrometer directly integrated onto a chemical microreactor to monitor the chemical reaction. The spectrometer is based on micro-machined Fabry-Perot resonator filters realized using pairs of Bragg mirrors to achieve a high spectral resolution. The fabrication of the optical filters is outlined and the measurement of transmittance spectra in the mid-IR range show a good agreement with theory and are thus promising candidates for a fully integrated system.

  3. Quantitative 2D liquid-state NMR.

    PubMed

    Giraudeau, Patrick

    2014-06-01

    Two-dimensional (2D) liquid-state NMR has a very high potential to simultaneously determine the absolute concentration of small molecules in complex mixtures, thanks to its capacity to separate overlapping resonances. However, it suffers from two main drawbacks that probably explain its relatively late development. First, the 2D NMR signal is strongly molecule-dependent and site-dependent; second, the long duration of 2D NMR experiments prevents its general use for high-throughput quantitative applications and affects its quantitative performance. Fortunately, the last 10 years has witnessed an increasing number of contributions where quantitative approaches based on 2D NMR were developed and applied to solve real analytical issues. This review aims at presenting these recent efforts to reach a high trueness and precision in quantitative measurements by 2D NMR. After highlighting the interest of 2D NMR for quantitative analysis, the different strategies to determine the absolute concentrations from 2D NMR spectra are described and illustrated by recent applications. The last part of the manuscript concerns the recent development of fast quantitative 2D NMR approaches, aiming at reducing the experiment duration while preserving - or even increasing - the analytical performance. We hope that this comprehensive review will help readers to apprehend the current landscape of quantitative 2D NMR, as well as the perspectives that may arise from it.

  4. Miniature high-performance infrared spectrometer for space applications

    NASA Astrophysics Data System (ADS)

    Kruzelecky, Roman V.; Haddad, Emile; Wong, Brian; Lafrance, Denis; Jamroz, Wes; Ghosh, Asoke K.; Zheng, Wanping; Phong, Linh

    2004-06-01

    Infrared spectroscopy probes the characteristic vibrational and rotational modes of chemical bonds in molecules to provide information about both the chemical composition and the bonding configuration of a sample. The significant advantage of the Infrared spectral technique is that it can be used with minimal consumables to simultaneously detect a large variety of chemical and biochemical species with high chemical specificity. To date, relatively large Fourier Transform (FT-IR) spectrometers employing variations of the Michelson interferometer have been successfully employed in space for various IR spectroscopy applications. However, FT-IR systems are mechanically complex, bulky (> 15 kg), and require considerable processing. This paper discusses the use of advanced integrated optics and smart optical coding techniques to significantly extend the performance of miniature IR spectrometers by several orders of magnitude in sensitivity. This can provide the next-generation of compact, high-performance IR spectrometers with monolithically integrated optical systems for robust optical alignment. The entire module can weigh under 3 kg to minimize the mass penalty for space applications. Miniaturized IR spectrometers are versatile and very convenient for small and micro satellite based missions. They can be dedicated to the monitoring of the CO2 in an Earth Observation mission, to Mars exobiology exploration, as well as to vital life support in manned space system; such as the cabin air quality and the quality of the recycled water supply.

  5. Development of X-ray Imaging Crystal Spectrometer for KSTAR

    NASA Astrophysics Data System (ADS)

    Lee, S. G.; Bak, J. G.; Bitter, M.; Hill, K.; Nam, U. W.; Kim, Y. J.; Moon, M. K.

    2003-10-01

    The engineering design for two high-resolution X-ray imaging crystal spectrometers, which will be part of the basic diagnostics for the KSTAR tokamak, has been finalized. Each of the spectrometers will consists of a spherically bent crystal and a 10 cm x 30 cm large 2D position-sensitive multi-wire proportional counter. The instruments will provide spatially and temporally resolved spectra of the resonance line of helium-like argon (or krypton) and the associated satellites from multiple lines of sight parallel and perpendicular to the horizontal mid-plane for measurements of the profiles of the ion and electron temperatures, plasma rotation velocity, and ionization equilibrium. A 2D detector with delay-line readout and supporting electronics has been fabricated and calibrated with an X-ray source. The engineering design of the spectrometers and the calibration results of the 2D detector will be presented.

  6. Spherical grating spectrometers

    NASA Astrophysics Data System (ADS)

    O'Donoghue, Darragh; Clemens, J. Christopher

    2014-07-01

    We describe designs for spectrometers employing convex dispersers. The Offner spectrometer was the first such instrument; it has almost exclusively been employed on satellite platforms, and has had little impact on ground-based instruments. We have learned how to fabricate curved Volume Phase Holographic (VPH) gratings and, in contrast to the planar gratings of traditional spectrometers, describe how such devices can be used in optical/infrared spectrometers designed specifically for curved diffraction gratings. Volume Phase Holographic gratings are highly efficient compared to conventional surface relief gratings; they have become the disperser of choice in optical / NIR spectrometers. The advantage of spectrometers with curved VPH dispersers is the very small number of optical elements used (the simplest comprising a grating and a spherical mirror), as well as illumination of mirrors off axis, resulting in greater efficiency and reduction in size. We describe a "Half Offner" spectrometer, an even simpler version of the Offner spectrometer. We present an entirely novel design, the Spherical Transmission Grating Spectrometer (STGS), and discuss exemplary applications, including a design for a double-beam spectrometer without any requirement for a dichroic. This paradigm change in spectrometer design offers an alternative to all-refractive astronomical spectrometer designs, using expensive, fragile lens elements fabricated from CaF2 or even more exotic materials. The unobscured mirror layout avoids a major drawback of the previous generation of catadioptric spectrometer designs. We describe laboratory measurements of the efficiency and image quality of a curved VPH grating in a STGS design, demonstrating, simultaneously, efficiency comparable to planar VPH gratings along with good image quality. The stage is now set for construction of a prototype instrument with impressive performance.

  7. Annotated Bibliography of EDGE2D Use

    SciTech Connect

    J.D. Strachan and G. Corrigan

    2005-06-24

    This annotated bibliography is intended to help EDGE2D users, and particularly new users, find existing published literature that has used EDGE2D. Our idea is that a person can find existing studies which may relate to his intended use, as well as gain ideas about other possible applications by scanning the attached tables.

  8. Staring 2-D hadamard transform spectral imager

    DOEpatents

    Gentry, Stephen M.; Wehlburg, Christine M.; Wehlburg, Joseph C.; Smith, Mark W.; Smith, Jody L.

    2006-02-07

    A staring imaging system inputs a 2D spatial image containing multi-frequency spectral information. This image is encoded in one dimension of the image with a cyclic Hadamarid S-matrix. The resulting image is detecting with a spatial 2D detector; and a computer applies a Hadamard transform to recover the encoded image.

  9. Lunar UV-visible-IR mapping interferometric spectrometer

    NASA Technical Reports Server (NTRS)

    Smith, W. Hayden; Haskin, L.; Korotev, R.; Arvidson, R.; Mckinnon, W.; Hapke, B.; Larson, S.; Lucey, P.

    1992-01-01

    Ultraviolet-visible-infrared mapping digital array scanned interferometers for lunar compositional surveys was developed. The research has defined a no-moving-parts, low-weight and low-power, high-throughput, and electronically adaptable digital array scanned interferometer that achieves measurement objectives encompassing and improving upon all the requirements defined by the LEXSWIG for lunar mineralogical investigation. In addition, LUMIS provides a new, important, ultraviolet spectral mapping, high-spatial-resolution line scan camera, and multispectral camera capabilities. An instrument configuration optimized for spectral mapping and imaging of the lunar surface and provide spectral results in support of the instrument design are described.

  10. FT-IR analysis of phosphorylated protein

    NASA Astrophysics Data System (ADS)

    Ishii, Katsunori; Yoshihashi, Sachiko S.; Chihara, Kunihiro; Awazu, Kunio

    2004-09-01

    Phosphorylation and dephosphorylation, which are the most remarkable posttranslational modifications, are considered to be important chemical reactions that control the activation of proteins. We examine the phosphorylation analysis method by measuring the infrared absorption peak of phosphate group that observed at about 1070cm-1 (9.4μm) with Fourier Transform Infrared Spectrometer (FT-IR). This study indicates that it is possible to identify a phosphorylation by measuring the infrared absorption peak of phosphate group observed at about 1070 cm-1 with FT-IR method. As long as target peptides have the same amino acid sequence, it is possible to identify the phosphorylated sites (threonine, serine and tyrosine).

  11. The Geostationary Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Key, Richard; Sander, Stanley; Eldering, Annmarie; Miller, Charles; Frankenberg, Christian; Natra, Vijay; Rider, David; Blavier, Jean-Francois; Bekker, Dmitriy; Wu, Yen-Hung

    2012-01-01

    The Geostationary Fourier Transform Spectrometer (GeoFTS) is an imaging spectrometer designed for an earth science mission to measure key atmospheric trace gases and process tracers related to climate change and human activity. The GeoFTS instrument is a half meter cube size instrument designed to operate in geostationary orbit as a secondary "hosted" payload on a commercial geostationary satellite mission. The advantage of GEO is the ability to continuously stare at a region of the earth, enabling frequent sampling to capture the diurnal variability of biogenic fluxes and anthropogenic emissions from city to continental scales. The science goal is to obtain a process-based understanding of the carbon cycle from simultaneous high spatial resolution measurements of carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), and chlorophyll fluorescence (CF) many times per day in the near infrared spectral region to capture their spatial and temporal variations on diurnal, synoptic, seasonal and interannual time scales. The GeoFTS instrument is based on a Michelson interferometer design with a number of advanced features incorporated. Two of the most important advanced features are the focal plane arrays and the optical path difference mechanism. A breadboard GeoFTS instrument has demonstrated functionality for simultaneous measurements in the visible and IR in the laboratory and subsequently in the field at the California Laboratory for Atmospheric Remote Sensing (CLARS) observatory on Mt. Wilson overlooking the Los Angeles basin. A GeoFTS engineering model instrument is being developed which will make simultaneous visible and IR measurements under space flight like environmental conditions (thermal-vacuum at 180 K). This will demonstrate critical instrument capabilities such as optical alignment stability, interferometer modulation efficiency, and high throughput FPA signal processing. This will reduce flight instrument development risk and show that the Geo

  12. Acousto-Optic Imaging Spectrometers for Mars Surface Science

    NASA Technical Reports Server (NTRS)

    Glenar, D. A.; Blaney, D. L.

    2000-01-01

    NASA's long term plan for Mars sample collection and return requires a highly streamlined approach for spectrally characterizing a landing site, documenting the mineralogical make-up of the site and guiding the collections of samples which represent the diversity of the site. Ideally, image data should be acquired at hundreds of VIS and IR wavelengths, in order to separately distinguish numerous anticipated species, using principal component analysis and linear unmixing. Cameras with bore-sighted point spectrometers can acquire spectra of isolated scene elements, but it requires 10(exp 2) to 10(exp 2) successive motions and precise relative pointing knowledge in order to create a single data cube which qualifies as a spectral map. These and other competing science objectives have to be accomplished within very short lander/rover operational lifetime (a few sols). True, 2-D imaging spectroscopy greatly speeds up the data acquisition process, since the spectra of all pixels in the scene are collected at once. This task can be accomplished with cameras that use electronically tunable acousto-optic tunable filters (AOTFs) as the optical tuning element. AOTFs made from TeO2 are now a mature technology, and operate at wavelengths from near-UV to about 5 microns. Because of incremental improvements in the last few years, present generation devices are rugged, radiation-hard and operate at temperatures down to at least 150K so they can be safely integrated into the ambient temperature optics of in-situ instruments such as planetary or small-body landers. They have been used for ground-based astronomy, and were also baselined for the ST-4 Champollion IR comet lander experiment (CIRCLE), prior to cancellation of the ST-4 mission last year. AIMS (for Acousto-optic Imaging spectrometer), is a prototype lander instrument which is being built at GSFC with support by the NASA OSS Advanced Technologies and Mission Studies, Mars Instrument Definition and Development Program (MIDP

  13. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-01-01

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  14. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-12-31

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  15. Brittle damage models in DYNA2D

    SciTech Connect

    Faux, D.R.

    1997-09-01

    DYNA2D is an explicit Lagrangian finite element code used to model dynamic events where stress wave interactions influence the overall response of the system. DYNA2D is often used to model penetration problems involving ductile-to-ductile impacts; however, with the advent of the use of ceramics in the armor-anti-armor community and the need to model damage to laser optics components, good brittle damage models are now needed in DYNA2D. This report will detail the implementation of four brittle damage models in DYNA2D, three scalar damage models and one tensor damage model. These new brittle damage models are then used to predict experimental results from three distinctly different glass damage problems.

  16. 2D/3D switchable displays

    NASA Astrophysics Data System (ADS)

    Dekker, T.; de Zwart, S. T.; Willemsen, O. H.; Hiddink, M. G. H.; IJzerman, W. L.

    2006-02-01

    A prerequisite for a wide market acceptance of 3D displays is the ability to switch between 3D and full resolution 2D. In this paper we present a robust and cost effective concept for an auto-stereoscopic switchable 2D/3D display. The display is based on an LCD panel, equipped with switchable LC-filled lenticular lenses. We will discuss 3D image quality, with the focus on display uniformity. We show that slanting the lenticulars in combination with a good lens design can minimize non-uniformities in our 20" 2D/3D monitors. Furthermore, we introduce fractional viewing systems as a very robust concept to further improve uniformity in the case slanting the lenticulars and optimizing the lens design are not sufficient. We will discuss measurements and numerical simulations of the key optical characteristics of this display. Finally, we discuss 2D image quality, the switching characteristics and the residual lens effect.

  17. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L. A.; Hallquist, J. O.

    1996-07-15

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  18. Chemical Approaches to 2D Materials.

    PubMed

    Samorì, Paolo; Palermo, Vincenzo; Feng, Xinliang

    2016-08-01

    Chemistry plays an ever-increasing role in the production, functionalization, processing and applications of graphene and other 2D materials. This special issue highlights a selection of enlightening chemical approaches to 2D materials, which nicely reflect the breadth of the field and convey the excitement of the individuals involved in it, who are trying to translate graphene and related materials from the laboratory into a real, high-impact technology.

  19. Evaluation of Comprehensive 2-D Gas Chromatography-Time-Of-Flight Mass Spectrometry for 209 Chlorinated Biphenyl Congeners in Two Chromatographic Runs

    EPA Science Inventory

    This research evaluates a recently developed comprehensive 2-D GC coupled with a time-of-flight (TOF) mass spectrometer for the potential separation of 209 PCB congeners, using a sequence of 1-D and 2-D chromatographic modes. In two consecutive chromatographic runs, using a 40 m,...

  20. Advances in miniature spectrometer and sensor development

    NASA Astrophysics Data System (ADS)

    Malinen, Jouko; Rissanen, Anna; Saari, Heikki; Karioja, Pentti; Karppinen, Mikko; Aalto, Timo; Tukkiniemi, Kari

    2014-05-01

    Miniaturization and cost reduction of spectrometer and sensor technologies has great potential to open up new applications areas and business opportunities for analytical technology in hand held, mobile and on-line applications. Advances in microfabrication have resulted in high-performance MEMS and MOEMS devices for spectrometer applications. Many other enabling technologies are useful for miniature analytical solutions, such as silicon photonics, nanoimprint lithography (NIL), system-on-chip, system-on-package techniques for integration of electronics and photonics, 3D printing, powerful embedded computing platforms, networked solutions as well as advances in chemometrics modeling. This paper will summarize recent work on spectrometer and sensor miniaturization at VTT Technical Research Centre of Finland. Fabry-Perot interferometer (FPI) tunable filter technology has been developed in two technical versions: Piezoactuated FPIs have been applied in miniature hyperspectral imaging needs in light weight UAV and nanosatellite applications, chemical imaging as well as medical applications. Microfabricated MOEMS FPIs have been developed as cost-effective sensor platforms for visible, NIR and IR applications. Further examples of sensor miniaturization will be discussed, including system-on-package sensor head for mid-IR gas analyzer, roll-to-roll printed Surface Enhanced Raman Scattering (SERS) technology as well as UV imprinted waveguide sensor for formaldehyde detection.

  1. Orthotropic Piezoelectricity in 2D Nanocellulose

    NASA Astrophysics Data System (ADS)

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-10-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V‑1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.

  2. Orthotropic Piezoelectricity in 2D Nanocellulose

    PubMed Central

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-01-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V−1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies. PMID:27708364

  3. Orthotropic Piezoelectricity in 2D Nanocellulose.

    PubMed

    García, Y; Ruiz-Blanco, Yasser B; Marrero-Ponce, Yovani; Sotomayor-Torres, C M

    2016-10-06

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V(-1), ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.

  4. 2D microwave imaging reflectometer electronics

    SciTech Connect

    Spear, A. G.; Domier, C. W. Hu, X.; Muscatello, C. M.; Ren, X.; Luhmann, N. C.; Tobias, B. J.

    2014-11-15

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  5. Large Area Synthesis of 2D Materials

    NASA Astrophysics Data System (ADS)

    Vogel, Eric

    Transition metal dichalcogenides (TMDs) have generated significant interest for numerous applications including sensors, flexible electronics, heterostructures and optoelectronics due to their interesting, thickness-dependent properties. Despite recent progress, the synthesis of high-quality and highly uniform TMDs on a large scale is still a challenge. In this talk, synthesis routes for WSe2 and MoS2 that achieve monolayer thickness uniformity across large area substrates with electrical properties equivalent to geological crystals will be described. Controlled doping of 2D semiconductors is also critically required. However, methods established for conventional semiconductors, such as ion implantation, are not easily applicable to 2D materials because of their atomically thin structure. Redox-active molecular dopants will be demonstrated which provide large changes in carrier density and workfunction through the choice of dopant, treatment time, and the solution concentration. Finally, several applications of these large-area, uniform 2D materials will be described including heterostructures, biosensors and strain sensors.

  6. 2D microwave imaging reflectometer electronics.

    PubMed

    Spear, A G; Domier, C W; Hu, X; Muscatello, C M; Ren, X; Tobias, B J; Luhmann, N C

    2014-11-01

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  7. Assessing 2D electrophoretic mobility spectroscopy (2D MOSY) for analytical applications.

    PubMed

    Fang, Yuan; Yushmanov, Pavel V; Furó, István

    2016-12-08

    Electrophoretic displacement of charged entity phase modulates the spectrum acquired in electrophoretic NMR experiments, and this modulation can be presented via 2D FT as 2D mobility spectroscopy (MOSY) spectra. We compare in various mixed solutions the chemical selectivity provided by 2D MOSY spectra with that provided by 2D diffusion-ordered spectroscopy (DOSY) spectra and demonstrate, under the conditions explored, a superior performance of the former method. 2D MOSY compares also favourably with closely related LC-NMR methods. The shape of 2D MOSY spectra in complex mixtures is strongly modulated by the pH of the sample, a feature that has potential for areas such as in drug discovery and metabolomics. Copyright © 2016 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd. StartCopTextCopyright © 2016 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd.

  8. Spectroscopic properties of multilayered gold nanoparticle 2D sheets.

    PubMed

    Yoshida, Akihito; Imazu, Keisuke; Li, Xinheng; Okamoto, Koichi; Tamada, Kaoru

    2012-12-11

    We report the fabrication technique and optical properties of multilayered two-dimensional (2D) gold nanoparticle sheets ("Au nanosheet"). The 2D crystalline monolayer sheet composed of Au nanoparticles shows an absorption peak originating from a localized surface plasmon resonance (LSPR). It was found that the absorption spectra dramatically change when the monolayers are assembled into the multilayers on different substrates (quartz or Au). In the case of the multilayers on Au thin film (d = 200 nm), the LSPR peak is shifted to longer wavelength at the near-IR region by increasing the number of layers. The absorbance also depends on the layer number and shows the nonlinear behavior. On the other hand, the multilayers on quartz substrate show neither such LSPR peak shift nor nonlinear response of absorbance. The layer number dependence on metal surfaces can be interpreted as the combined effects between the near-field coupling of the LSPR and the far-field optics of the stratified metamaterial films, as proposed in our previous study. We also report the spectroscopic properties of hybrid multilayers composed of two kinds of monolayers, i.e., Au nanosheet and Ag nanosheet. The combination of the different metal nanoparticle sheets realizes more flexible plasmonic color tuning.

  9. A Simple Raman Spectrometer.

    ERIC Educational Resources Information Center

    Blond, J. P.; Boggett, D. M.

    1980-01-01

    Discusses some basic physical ideas about light scattering and describes a simple Raman spectrometer, a single prism monochromator and a multiplier detector. This discussion is intended for British undergraduate physics students. (HM)

  10. Composite Spectrometer Prisms

    NASA Technical Reports Server (NTRS)

    Breckinridge, J. B.; Page, N. A.; Rodgers, J. M.

    1985-01-01

    Efficient linear dispersive element for spectrometer instruments achieved using several different glasses in multiple-element prism. Good results obtained in both two-and three-element prisms using variety of different glass materials.

  11. Fourier Transform Spectrometer System

    NASA Technical Reports Server (NTRS)

    Campbell, Joel F. (Inventor)

    2014-01-01

    A Fourier transform spectrometer (FTS) data acquisition system includes an FTS spectrometer that receives a spectral signal and a laser signal. The system further includes a wideband detector, which is in communication with the FTS spectrometer and receives the spectral signal and laser signal from the FTS spectrometer. The wideband detector produces a composite signal comprising the laser signal and the spectral signal. The system further comprises a converter in communication with the wideband detector to receive and digitize the composite signal. The system further includes a signal processing unit that receives the composite signal from the converter. The signal processing unit further filters the laser signal and the spectral signal from the composite signal and demodulates the laser signal, to produce velocity corrected spectral data.

  12. 2D Distributed Sensing Via TDR

    DTIC Science & Technology

    2007-11-02

    plate VEGF CompositeSensor Experimental Setup Air 279 mm 61 78 VARTM profile: slope RTM profile: rectangle 22 1 Jul 2003© 2003 University of Delaware...2003 University of Delaware All rights reserved Vision: Non-contact 2D sensing ü VARTM setup constructed within TL can be sensed by its EM field: 2D...300.0 mm/ns. 1 2 1 Jul 2003© 2003 University of Delaware All rights reserved Model Validation “ RTM Flow” TDR Response to 139 mm VEGC

  13. Inkjet printing of 2D layered materials.

    PubMed

    Li, Jiantong; Lemme, Max C; Östling, Mikael

    2014-11-10

    Inkjet printing of 2D layered materials, such as graphene and MoS2, has attracted great interests for emerging electronics. However, incompatible rheology, low concentration, severe aggregation and toxicity of solvents constitute critical challenges which hamper the manufacturing efficiency and product quality. Here, we introduce a simple and general technology concept (distillation-assisted solvent exchange) to efficiently overcome these challenges. By implementing the concept, we have demonstrated excellent jetting performance, ideal printing patterns and a variety of promising applications for inkjet printing of 2D layered materials.

  14. Qwest and HyTES: Two New Hyperspectral Thermal Infrared Imaging Spectrometers for Earth Science

    DTIC Science & Technology

    2009-10-01

    project including Victor White (slit design and production) and SE-IR. This research was carried out at the Jet Propulsion Laboratory, California...spectrometer [12] David W. Warren; Dan A. Gutierrez ; Eric R. Keim, “Dyson spectrometers for high-performance infrared applications

  15. Parallel Stitching of 2D Materials.

    PubMed

    Ling, Xi; Lin, Yuxuan; Ma, Qiong; Wang, Ziqiang; Song, Yi; Yu, Lili; Huang, Shengxi; Fang, Wenjing; Zhang, Xu; Hsu, Allen L; Bie, Yaqing; Lee, Yi-Hsien; Zhu, Yimei; Wu, Lijun; Li, Ju; Jarillo-Herrero, Pablo; Dresselhaus, Mildred; Palacios, Tomás; Kong, Jing

    2016-03-23

    Diverse parallel stitched 2D heterostructures, including metal-semiconductor, semiconductor-semiconductor, and insulator-semiconductor, are synthesized directly through selective "sowing" of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. The methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  16. The basics of 2D DIGE.

    PubMed

    Beckett, Phil

    2012-01-01

    The technique of two-dimensional (2D) gel electrophoresis is a powerful tool for separating complex mixtures of proteins, but since its inception in the mid 1970s, it acquired the stigma of being a very difficult application to master and was generally used to its best effect by experts. The introduction of commercially available immobilized pH gradients in the early 1990s provided enhanced reproducibility and easier protocols, leading to a pronounced increase in popularity of the technique. However gel-to-gel variation was still difficult to control without the use of technical replicates. In the mid 1990s (at the same time as the birth of "proteomics"), the concept of multiplexing fluorescently labeled proteins for 2D gel separation was realized by Jon Minden's group and has led to the ability to design experiments to virtually eliminate gel-to-gel variation, resulting in biological replicates being used for statistical analysis with the ability to detect very small changes in relative protein abundance. This technology is referred to as 2D difference gel electrophoresis (2D DIGE).

  17. Parallel stitching of 2D materials

    DOE PAGES

    Ling, Xi; Wu, Lijun; Lin, Yuxuan; ...

    2016-01-27

    Diverse parallel stitched 2D heterostructures, including metal–semiconductor, semiconductor–semiconductor, and insulator–semiconductor, are synthesized directly through selective “sowing” of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. Lastly, the methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  18. Ultrafast 2D-IR and simulation investigations of preferential solvation and cosolvent exchange dynamics.

    PubMed

    Dunbar, Josef A; Arthur, Evan J; White, Aaron M; Kubarych, Kevin J

    2015-05-21

    Using a derivative of the vitamin biotin labeled with a transition-metal carbonyl vibrational probe in a series of aqueous N,N-dimethylformamide (DMF) solutions, we observe a striking slowdown in spectral diffusion dynamics with decreased DMF concentration. Equilibrium solvation dynamics, measured with the rapidly acquired spectral diffusion (RASD) technique, a variant of heterodyne-detected photon-echo peak shift experiments, range from 1 ps in neat DMF to ∼3 ps in 0.07 mole fraction DMF/water solution. Molecular dynamics simulations of the biotin-metal carbonyl solute in explicit aqueous DMF solutions show marked preferential solvation by DMF, which becomes more pronounced at lower DMF concentrations. The simulations and the experimental data are consistent with an interpretation where the slowdown in spectral diffusion is due to solvent exchange involving distinct cosolvent species. A simple two-component model reproduces the observed spectral dynamics as well as the DMF concentration dependence, enabling the extraction of the solvent exchange time scale of 8 ps. This time scale corresponds to the diffusive motion of a few Å, consistent with a solvent-exchange mechanism. Unlike most previous studies of solvation dynamics in binary mixtures of polar solvents, our work highlights the ability of vibrational probes to sense solvent exchange as a new, slow component in the spectral diffusion dynamics.

  19. Ultrafast slaving dynamics at the protein-water interface studied with 2D-IR spectroscopy

    NASA Astrophysics Data System (ADS)

    King, J. T.; Kubarych, K. J.

    2013-03-01

    The dynamics of hen egg white lysozyme in D2O/glycerol mixtures is studied using two-dimensional infrared spectroscopy. The hydration dynamics and the protein dynamics are studied simultaneously through vibrational probes attached to the protein surface.

  20. The MIRI Medium Resolution Spectrometer calibration pipeline

    NASA Astrophysics Data System (ADS)

    Labiano, A.; Azzollini, R.; Bailey, J.; Beard, S.; Dicken, D.; García-Marín, M.; Geers, V.; Glasse, A.; Glauser, A.; Gordon, K.; Justtanont, K.; Klaassen, P.; Lahuis, F.; Law, D.; Morrison, J.; Müller, M.; Rieke, G.; Vandenbussche, B.; Wright, G.

    2016-07-01

    The Mid-Infrared Instrument (MIRI) Medium Resolution Spectrometer (MRS) is the only mid-IR Integral Field Spectrometer on board James Webb Space Telescope. The complexity of the MRS requires a very specialized pipeline, with some specific steps not present in other pipelines of JWST instruments, such as fringe corrections and wavelength offsets, with different algorithms for point source or extended source data. The MRS pipeline has also two different variants: the baseline pipeline, optimized for most foreseen science cases, and the optimal pipeline, where extra steps will be needed for specific science cases. This paper provides a comprehensive description of the MRS Calibration Pipeline from uncalibrated slope images to final scientific products, with brief descriptions of its algorithms, input and output data, and the accessory data and calibration data products necessary to run the pipeline.

  1. Fluorescence imaging spectrometer optical design

    NASA Astrophysics Data System (ADS)

    Taiti, A.; Coppo, P.; Battistelli, E.

    2015-09-01

    The optical design of the FLuORescence Imaging Spectrometer (FLORIS) studied for the Fluorescence Explorer (FLEX) mission is discussed. FLEX is a candidate for the ESA's 8th Earth Explorer opportunity mission. FLORIS is a pushbroom hyperspectral imager foreseen to be embarked on board of a medium size satellite, flying in tandem with Sentinel-3 in a Sun synchronous orbit at a height of about 815 km. FLORIS will observe the vegetation fluorescence and reflectance within a spectral range between 500 and 780 nm. Multi-frames acquisitions on matrix detectors during the satellite movement will allow the production of 2D Earth scene images in two different spectral channels, called HR and LR with spectral resolution of 0.3 and 2 nm respectively. A common fore optics is foreseen to enhance by design the spatial co-registration between the two spectral channels, which have the same ground spatial sampling (300 m) and swath (150 km). An overlapped spectral range between the two channels is also introduced to simplify the spectral coregistration. A compact opto-mechanical solution with all spherical and plane optical elements is proposed, and the most significant design rationales are described. The instrument optical architecture foresees a dual Babinet scrambler, a dioptric telescope and two grating spectrometers (HR and LR), each consisting of a modified Offner configuration. The developed design is robust, stable vs temperature, easy to align, showing very high optical quality along the whole field of view. The system gives also excellent correction for transverse chromatic aberration and distortions (keystone and smile).

  2. Interferometric 2D Sum Frequency Generation Spectroscopy Reveals Structural Heterogeneity of Catalytic Monolayers on Transparent Materials.

    PubMed

    Vanselous, Heather; Stingel, Ashley M; Petersen, Poul B

    2017-02-16

    Molecular monolayers exhibit structural and dynamical properties that are different from their bulk counterparts due to their interaction with the substrate. Extracting these distinct properties is crucial for a better understanding of processes such as heterogeneous catalysis and interfacial charge transfer. Ultrafast nonlinear spectroscopic techniques such as 2D infrared (2D IR) spectroscopy are powerful tools for understanding molecular dynamics in complex bulk systems. Here, we build on technical advancements in 2D IR and heterodyne-detected sum frequency generation (SFG) spectroscopy to study a CO2 reduction catalyst on nanostructured TiO2 with interferometric 2D SFG spectroscopy. Our method combines phase-stable heterodyne detection employing an external local oscillator with a broad-band pump pulse pair to provide the first high spectral and temporal resolution 2D SFG spectra of a transparent material. We determine the overall molecular orientation of the catalyst and find that there is a static structural heterogeneity reflective of different local environments at the surface.

  3. Spectrometer technology recommendations

    NASA Technical Reports Server (NTRS)

    Wilson, William J.

    1988-01-01

    A typical heterodyne remote sensing system contains three major elements: the antenna, the radiometer, and the spectrometer. The radiometer consists of the local oscillator, the mixer, and the intermediate frequency amplifiers. This subsystem performs the function of down converting the high frequency incident thermal emission signal to a lower intermediate frequency. The spectrometer measures the power spectrum of the down-converted signal simultaneously in many contiguous frequency channels. Typical spectrum analysis requirements involve measurement of signal bandwidths of 100 to 1000 MHz with a channel resolution of 0.5 to 10 MHz. Three general approaches are used for spectrometers: (1) filter banks, (2) Acousto-Optic Spectrometers (AOS's), and (3) digital autocorrelators. In contrast to the two frequency domain techniques, an autocorrelator works in the time domain. The autocorrelation function (ACF) of the incoming signal is computed and averaged over the integration time. The averaged ACF is then Fourier transformed to obtain the signal power spectrum. Significant progress was made in the development of sub mm antennas and radiometers. It is now time to begin research in the development of low power spaceborne spectrometers and to reduce their size and weight. The near-term research goal will be to develop a prototype digital autocorrelation spectrometer, using VLSI gate array technology, which will have a small size, low power requirements, and can be used in spacecraft mm and sub mm radiometer systems. The long-range objective of this technology development is to make extremely low power, less than 10 mW/channel, small and stable wideband spectrometers which can be used in future mm and sub mm wavelength space missions such as the Large Deployable Reflector.

  4. Spectrometer technology recommendations

    NASA Astrophysics Data System (ADS)

    Wilson, William J.

    1988-08-01

    A typical heterodyne remote sensing system contains three major elements: the antenna, the radiometer, and the spectrometer. The radiometer consists of the local oscillator, the mixer, and the intermediate frequency amplifiers. This subsystem performs the function of down converting the high frequency incident thermal emission signal to a lower intermediate frequency. The spectrometer measures the power spectrum of the down-converted signal simultaneously in many contiguous frequency channels. Typical spectrum analysis requirements involve measurement of signal bandwidths of 100 to 1000 MHz with a channel resolution of 0.5 to 10 MHz. Three general approaches are used for spectrometers: (1) filter banks, (2) Acousto-Optic Spectrometers (AOS's), and (3) digital autocorrelators. In contrast to the two frequency domain techniques, an autocorrelator works in the time domain. The autocorrelation function (ACF) of the incoming signal is computed and averaged over the integration time. The averaged ACF is then Fourier transformed to obtain the signal power spectrum. Significant progress was made in the development of sub mm antennas and radiometers. It is now time to begin research in the development of low power spaceborne spectrometers and to reduce their size and weight. The near-term research goal will be to develop a prototype digital autocorrelation spectrometer, using VLSI gate array technology, which will have a small size, low power requirements, and can be used in spacecraft mm and sub mm radiometer systems. The long-range objective of this technology development is to make extremely low power, less than 10 mW/channel, small and stable wideband spectrometers which can be used in future mm and sub mm wavelength space missions such as the Large Deployable Reflector.

  5. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology

    PubMed Central

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-01-01

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct “beyond graphene” domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials. PMID:26861346

  6. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology.

    PubMed

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-02-06

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct "beyond graphene" domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials.

  7. Compatible embedding for 2D shape animation.

    PubMed

    Baxter, William V; Barla, Pascal; Anjyo, Ken-Ichi

    2009-01-01

    We present new algorithms for the compatible embedding of 2D shapes. Such embeddings offer a convenient way to interpolate shapes having complex, detailed features. Compared to existing techniques, our approach requires less user input, and is faster, more robust, and simpler to implement, making it ideal for interactive use in practical applications. Our new approach consists of three parts. First, our boundary matching algorithm locates salient features using the perceptually motivated principles of scale-space and uses these as automatic correspondences to guide an elastic curve matching algorithm. Second, we simplify boundaries while maintaining their parametric correspondence and the embedding of the original shapes. Finally, we extend the mapping to shapes' interiors via a new compatible triangulation algorithm. The combination of our algorithms allows us to demonstrate 2D shape interpolation with instant feedback. The proposed algorithms exhibit a combination of simplicity, speed, and accuracy that has not been achieved in previous work.

  8. Schottky diodes from 2D germanane

    NASA Astrophysics Data System (ADS)

    Sahoo, Nanda Gopal; Esteves, Richard J.; Punetha, Vinay Deep; Pestov, Dmitry; Arachchige, Indika U.; McLeskey, James T.

    2016-07-01

    We report on the fabrication and characterization of a Schottky diode made using 2D germanane (hydrogenated germanene). When compared to germanium, the 2D structure has higher electron mobility, an optimal band-gap, and exceptional stability making germanane an outstanding candidate for a variety of opto-electronic devices. One-atom-thick sheets of hydrogenated puckered germanium atoms have been synthesized from a CaGe2 framework via intercalation and characterized by XRD, Raman, and FTIR techniques. The material was then used to fabricate Schottky diodes by suspending the germanane in benzonitrile and drop-casting it onto interdigitated metal electrodes. The devices demonstrate significant rectifying behavior and the outstanding potential of this material.

  9. Extrinsic Cation Selectivity of 2D Membranes

    PubMed Central

    2017-01-01

    From a systematic study of the concentration driven diffusion of positive and negative ions across porous 2D membranes of graphene and hexagonal boron nitride (h-BN), we prove their cation selectivity. Using the current–voltage characteristics of graphene and h-BN monolayers separating reservoirs of different salt concentrations, we calculate the reversal potential as a measure of selectivity. We tune the Debye screening length by exchanging the salt concentrations and demonstrate that negative surface charge gives rise to cation selectivity. Surprisingly, h-BN and graphene membranes show similar characteristics, strongly suggesting a common origin of selectivity in aqueous solvents. For the first time, we demonstrate that the cation flux can be increased by using ozone to create additional pores in graphene while maintaining excellent selectivity. We discuss opportunities to exploit our scalable method to use 2D membranes for applications including osmotic power conversion. PMID:28157333

  10. Static & Dynamic Response of 2D Solids

    SciTech Connect

    Lin, Jerry

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surface contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.

  11. Explicit 2-D Hydrodynamic FEM Program

    SciTech Connect

    Lin, Jerry

    1996-08-07

    DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.

  12. Quasiparticle interference in unconventional 2D systems

    NASA Astrophysics Data System (ADS)

    Chen, Lan; Cheng, Peng; Wu, Kehui

    2017-03-01

    At present, research of 2D systems mainly focuses on two kinds of materials: graphene-like materials and transition-metal dichalcogenides (TMDs). Both of them host unconventional 2D electronic properties: pseudospin and the associated chirality of electrons in graphene-like materials, and spin-valley-coupled electronic structures in the TMDs. These exotic electronic properties have attracted tremendous interest for possible applications in nanodevices in the future. Investigation on the quasiparticle interference (QPI) in 2D systems is an effective way to uncover these properties. In this review, we will begin with a brief introduction to 2D systems, including their atomic structures and electronic bands. Then, we will discuss the formation of Friedel oscillation due to QPI in constant energy contours of electron bands, and show the basic concept of Fourier-transform scanning tunneling microscopy/spectroscopy (FT-STM/STS), which can resolve Friedel oscillation patterns in real space and consequently obtain the QPI patterns in reciprocal space. In the next two parts, we will summarize some pivotal results in the investigation of QPI in graphene and silicene, in which systems the low-energy quasiparticles are described by the massless Dirac equation. The FT-STM experiments show there are two different interference channels (intervalley and intravalley scattering) and backscattering suppression, which associate with the Dirac cones and the chirality of quasiparticles. The monolayer and bilayer graphene on different substrates (SiC and metal surfaces), and the monolayer and multilayer silicene on a Ag(1 1 1) surface will be addressed. The fifth part will introduce the FT-STM research on QPI in TMDs (monolayer and bilayer of WSe2), which allow us to infer the spin texture of both conduction and valence bands, and present spin-valley coupling by tracking allowed and forbidden scattering channels.

  13. Compact 2-D graphical representation of DNA

    NASA Astrophysics Data System (ADS)

    Randić, Milan; Vračko, Marjan; Zupan, Jure; Novič, Marjana

    2003-05-01

    We present a novel 2-D graphical representation for DNA sequences which has an important advantage over the existing graphical representations of DNA in being very compact. It is based on: (1) use of binary labels for the four nucleic acid bases, and (2) use of the 'worm' curve as template on which binary codes are placed. The approach is illustrated on DNA sequences of the first exon of human β-globin and gorilla β-globin.

  14. 2D Metals by Repeated Size Reduction.

    PubMed

    Liu, Hanwen; Tang, Hao; Fang, Minghao; Si, Wenjie; Zhang, Qinghua; Huang, Zhaohui; Gu, Lin; Pan, Wei; Yao, Jie; Nan, Cewen; Wu, Hui

    2016-10-01

    A general and convenient strategy for manufacturing freestanding metal nanolayers is developed on large scale. By the simple process of repeatedly folding and calendering stacked metal sheets followed by chemical etching, free-standing 2D metal (e.g., Ag, Au, Fe, Cu, and Ni) nanosheets are obtained with thicknesses as small as 1 nm and with sizes of the order of several micrometers.

  15. Realistic and efficient 2D crack simulation

    NASA Astrophysics Data System (ADS)

    Yadegar, Jacob; Liu, Xiaoqing; Singh, Abhishek

    2010-04-01

    Although numerical algorithms for 2D crack simulation have been studied in Modeling and Simulation (M&S) and computer graphics for decades, realism and computational efficiency are still major challenges. In this paper, we introduce a high-fidelity, scalable, adaptive and efficient/runtime 2D crack/fracture simulation system by applying the mathematically elegant Peano-Cesaro triangular meshing/remeshing technique to model the generation of shards/fragments. The recursive fractal sweep associated with the Peano-Cesaro triangulation provides efficient local multi-resolution refinement to any level-of-detail. The generated binary decomposition tree also provides efficient neighbor retrieval mechanism used for mesh element splitting and merging with minimal memory requirements essential for realistic 2D fragment formation. Upon load impact/contact/penetration, a number of factors including impact angle, impact energy, and material properties are all taken into account to produce the criteria of crack initialization, propagation, and termination leading to realistic fractal-like rubble/fragments formation. The aforementioned parameters are used as variables of probabilistic models of cracks/shards formation, making the proposed solution highly adaptive by allowing machine learning mechanisms learn the optimal values for the variables/parameters based on prior benchmark data generated by off-line physics based simulation solutions that produce accurate fractures/shards though at highly non-real time paste. Crack/fracture simulation has been conducted on various load impacts with different initial locations at various impulse scales. The simulation results demonstrate that the proposed system has the capability to realistically and efficiently simulate 2D crack phenomena (such as window shattering and shards generation) with diverse potentials in military and civil M&S applications such as training and mission planning.

  16. Electron-proton spectrometer

    NASA Technical Reports Server (NTRS)

    Winckler, J. R.

    1973-01-01

    An electron-proton spectrometer was designed to measure the geomagnetically trapped radiation in a geostationary orbit at 6.6 earth radii in the outer radiation belt. This instrument is to be flown on the Applications Technology Satellite-F (ATS-F). The electron-proton spectrometer consists of two permanent magnet surface barrier detector arrays and associated electronics capable of selecting and detecting electrons in three energy ranges: (1) 30-50 keV, (2) 150-200 keV, and (3) 500 keV and protons in three energy ranges. The electron-proton spectrometer has the capability of measuring the fluxes of electrons and protons in various directions with respect to the magnetic field lines running through the satellite. One magnet detector array system is implemented to scan between EME north and south through west, sampling the directional flux in 15 steps. The other magnet-detector array system is fixed looking toward EME east.

  17. Engineering light outcoupling in 2D materials.

    PubMed

    Lien, Der-Hsien; Kang, Jeong Seuk; Amani, Matin; Chen, Kevin; Tosun, Mahmut; Wang, Hsin-Ping; Roy, Tania; Eggleston, Michael S; Wu, Ming C; Dubey, Madan; Lee, Si-Chen; He, Jr-Hau; Javey, Ali

    2015-02-11

    When light is incident on 2D transition metal dichalcogenides (TMDCs), it engages in multiple reflections within underlying substrates, producing interferences that lead to enhancement or attenuation of the incoming and outgoing strength of light. Here, we report a simple method to engineer the light outcoupling in semiconducting TMDCs by modulating their dielectric surroundings. We show that by modulating the thicknesses of underlying substrates and capping layers, the interference caused by substrate can significantly enhance the light absorption and emission of WSe2, resulting in a ∼11 times increase in Raman signal and a ∼30 times increase in the photoluminescence (PL) intensity of WSe2. On the basis of the interference model, we also propose a strategy to control the photonic and optoelectronic properties of thin-layer WSe2. This work demonstrates the utilization of outcoupling engineering in 2D materials and offers a new route toward the realization of novel optoelectronic devices, such as 2D LEDs and solar cells.

  18. Irreversibility-inversions in 2D turbulence

    NASA Astrophysics Data System (ADS)

    Bragg, Andrew; de Lillo, Filippo; Boffetta, Guido

    2016-11-01

    We consider a recent theoretical prediction that for inertial particles in 2D turbulence, the nature of the irreversibility of their pair dispersion inverts when the particle inertia exceeds a certain value. In particular, when the particle Stokes number, St , is below a certain value, the forward-in-time (FIT) dispersion should be faster than the backward-in-time (BIT) dispersion, but for St above this value, this should invert so that BIT becomes faster than FIT dispersion. This non-trivial behavior arises because of the competition between two physically distinct irreversibility mechanisms that operate in different regimes of St . In 3D turbulence, both mechanisms act to produce faster BIT than FIT dispersion, but in 2D, the two mechanisms have opposite effects because of the inverse energy cascade in the turbulent velocity field. We supplement the qualitative argument given by Bragg et al. by deriving quantitative predictions of this effect in the short-time dispersion limit. These predictions are then confirmed by results of inertial particle dispersion in a direct numerical simulation of 2D turbulence.

  19. Broad band waveguide spectrometer

    DOEpatents

    Goldman, Don S.

    1995-01-01

    A spectrometer for analyzing a sample of material utilizing a broad band source of electromagnetic radiation and a detector. The spectrometer employs a waveguide possessing an entry and an exit for the electromagnetic radiation emanating from the source. The waveguide further includes a surface between the entry and exit portions which permits interaction between the electromagnetic radiation passing through the wave guide and a sample material. A tapered portion forms a part of the entry of the wave guide and couples the electromagnetic radiation emanating from the source to the waveguide. The electromagnetic radiation passing from the exit of the waveguide is captured and directed to a detector for analysis.

  20. The GRIFFIN spectrometer

    NASA Astrophysics Data System (ADS)

    Svensson, C. E.; Garnsworthy, A. B.

    2014-01-01

    Gamma-Ray Infrastructure For Fundamental Investigations of Nuclei (GRIFFIN) is an advanced new high-efficiency γ-ray spectrometer being developed for use in decay spectroscopy experiments with low-energy radioactive ion beams provided by TRIUMF's Isotope Separator and Accelerator (ISAC-I) radioactive ion beam facility. GRIFFIN will be comprised of sixteen large-volume clover-type high-purity germanium (HPGe) γ-ray detectors coupled to custom digital signal processing electronics and used in conjunction with a suite of auxiliary detection systems. This article provides an overview of the GRIFFIN spectrometer and its expected performance characteristics.

  1. The Apollo Alpha Spectrometer.

    NASA Technical Reports Server (NTRS)

    Jagoda, N.; Kubierschky, K.; Frank, R.; Carroll, J.

    1973-01-01

    Located in the Science Instrument Module of Apollo 15 and 16, the Alpha Particle Spectrometer was designed to detect and measure the energy of alpha particles emitted by the radon isotopes and their daughter products. The spectrometer sensor consisted of an array of totally depleted silicon surface barrier detectors. Biased amplifier and linear gate techniques were utilized to reduce resolution degradation, thereby permitting the use of a single 512 channel PHA. Sensor identification and in-flight radioactive calibration were incorporated to enhance data reduction.

  2. Comparison of imaging spectrometers

    SciTech Connect

    Bennett, C

    2000-01-09

    Realistic signal to noise performance estimates for the various types of instruments being considered for NGST are compared, based on the point source detection values quoted in the available ISIM final reports. The corresponding sensitivity of the various types of spectrometers operating in a full field imaging mode, for both emission line objects and broad spectral distribution objects, is computed and displayed. For the purpose of seeing the earliest galaxies, or the faintest possible emission line sources, the imaging Fourier transform spectrometer emerges superior to all others, by orders of magnitude in speed.

  3. Portable reflectance spectrometer

    NASA Technical Reports Server (NTRS)

    Goetz, A. F. H.; Graham, R. A.; Ozawa, T. (Inventor)

    1977-01-01

    A portable reflectance spectrometer is disclosed. The spectrometer essentially includes an optical unit and an electronic recording unit. The optical unit includes a pair of thermoelectrically-cooled detectors, for detecting total radiance and selected radiance projected through a circular variable filter wheel, and is capable of operating to provide spectral data in the range 0.4 to 2.5 micrometers without requiring coventional substitution of filter elements. The electronic recording unit includes power supplies, amplifiers, and digital recording electronics designed to permit recordation of data on tape casettes. Both the optical unit and electronic recording unit are packaged to be manually portable.

  4. Miniaturised TOF mass spectrometer

    NASA Astrophysics Data System (ADS)

    Rohner, U.; Wurz, P.; Whitby, J.

    2003-04-01

    For the BepiColombo misson of ESA to Mercury, we built a prototype of a miniaturised Time of Flight mass spectrometer with a low mass and low power consumption. Particles will be set free form the surface and ionized by short laser pluses. The mass spectrometer is dedicated to measure the elemental and isotopic composition of almost all elements of Mercurys planetary surface with an adequate dynamique range, mass range and mass resolution. We will present first results of our prototype and future designs.

  5. 2D superconductivity by ionic gating

    NASA Astrophysics Data System (ADS)

    Iwasa, Yoshi

    2D superconductivity is attracting a renewed interest due to the discoveries of new highly crystalline 2D superconductors in the past decade. Superconductivity at the oxide interfaces triggered by LaAlO3/SrTiO3 has become one of the promising routes for creation of new 2D superconductors. Also, the MBE grown metallic monolayers including FeSe are also offering a new platform of 2D superconductors. In the last two years, there appear a variety of monolayer/bilayer superconductors fabricated by CVD or mechanical exfoliation. Among these, electric field induced superconductivity by electric double layer transistor (EDLT) is a unique platform of 2D superconductivity, because of its ability of high density charge accumulation, and also because of the versatility in terms of materials, stemming from oxides to organics and layered chalcogenides. In this presentation, the following issues of electric filed induced superconductivity will be addressed; (1) Tunable carrier density, (2) Weak pinning, (3) Absence of inversion symmetry. (1) Since the sheet carrier density is quasi-continuously tunable from 0 to the order of 1014 cm-2, one is able to establish an electronic phase diagram of superconductivity, which will be compared with that of bulk superconductors. (2) The thickness of superconductivity can be estimated as 2 - 10 nm, dependent on materials, and is much smaller than the in-plane coherence length. Such a thin but low resistance at normal state results in extremely weak pinning beyond the dirty Boson model in the amorphous metallic films. (3) Due to the electric filed, the inversion symmetry is inherently broken in EDLT. This feature appears in the enhancement of Pauli limit of the upper critical field for the in-plane magnetic fields. In transition metal dichalcogenide with a substantial spin-orbit interactions, we were able to confirm the stabilization of Cooper pair due to its spin-valley locking. This work has been supported by Grant-in-Aid for Specially

  6. Engineering 1D Quantum Stripes from Superlattices of 2D Layered Materials.

    PubMed

    Gruenewald, John H; Kim, Jungho; Kim, Heung Sik; Johnson, Jared M; Hwang, Jinwoo; Souri, Maryam; Terzic, Jasminka; Chang, Seo Hyoung; Said, Ayman; Brill, Joseph W; Cao, Gang; Kee, Hae-Young; Seo, Sung S Ambrose

    2017-01-01

    Dimensional tunability from two dimensions to one dimension is demonstrated for the first time using an artificial superlattice method in synthesizing 1D stripes from 2D layered materials. The 1D confinement of layered Sr2 IrO4 induces distinct 1D quantum-confined electronic states, as observed from optical spectroscopy and resonant inelastic X-ray scattering. This 1D superlattice approach is generalizable to a wide range of layered materials.

  7. Mass Spectrometers in Space!

    NASA Technical Reports Server (NTRS)

    Brinckerhoff, William B.

    2012-01-01

    Exploration of our solar system over several decades has benefitted greatly from the sensitive chemical analyses offered by spaceflight mass spectrometers. When dealing with an unknown environment, the broadband detection capabilities of mass analyzers have proven extremely valuable in determining the composition and thereby the basic nature of space environments, including the outer reaches of Earth s atmosphere, interplanetary space, the Moon, and the planets and their satellites. Numerous mass analyzer types, including quadrupole, monopole, sector, ion trap, and time-of-flight have been incorporated in flight instruments and delivered robotically to a variety of planetary environments. All such instruments went through a rigorous process of application-specific development, often including significant miniaturization, testing, and qualification for the space environment. Upcoming missions to Mars and opportunities for missions to Venus, Europa, Saturn, Titan, asteroids, and comets provide new challenges for flight mass spectrometers that push to state of the art in fundamental analytical technique. The Sample Analysis at Mars (SAM) investigation on the recently-launch Mars Science Laboratory (MSL) rover mission incorporates a quadrupole analyzer to support direct evolved gas as well as gas chromatograph-based analysis of martian rocks and atmosphere, seeking signs of a past or present habitable environment. A next-generation linear ion trap mass spectrometer, using both electron impact and laser ionization, is being incorporated into the Mars Organic Molecule Analyzer (MOMA) instrument, which will be flown to Mars in 2018. These and other mass spectrometers and mission concepts at various stages of development will be described.

  8. InfraRed Standards Used for Spectrophotometric Calibration - Application to the Medium Resolution Spectrometer of {MIRI}

    NASA Astrophysics Data System (ADS)

    Decin, L.; Bauwens, E.; Blommaert, J. A. D. L.

    2007-04-01

    One of the main ingredients in establishing the relation between input signal and output flux from a spectrometer, is the accurate determination of the {spectrophotometric calibration}. In case of spectrometers onboard satellites, the accuracy of this part of the calibration pedigree is ultimately linked to the reliability of the candidate calibrators as being fiducial. In this contribution, we deal with the spectrophotometric calibration of {infrared} spectrometers in the 2-200 μm wavelength range. We outline a general selection procedure to arrive at a set of fiducial IR calibrators, and apply the method to the Medium Resolution Spectrometer of MIRI which will be onboard the James Webb Space Telescope.

  9. Periodically sheared 2D Yukawa systems

    SciTech Connect

    Kovács, Anikó Zsuzsa; Hartmann, Peter; Donkó, Zoltán

    2015-10-15

    We present non-equilibrium molecular dynamics simulation studies on the dynamic (complex) shear viscosity of a 2D Yukawa system. We have identified a non-monotonic frequency dependence of the viscosity at high frequencies and shear rates, an energy absorption maximum (local resonance) at the Einstein frequency of the system at medium shear rates, an enhanced collective wave activity, when the excitation is near the plateau frequency of the longitudinal wave dispersion, and the emergence of significant configurational anisotropy at small frequencies and high shear rates.

  10. ENERGY LANDSCAPE OF 2D FLUID FORMS

    SciTech Connect

    Y. JIANG; ET AL

    2000-04-01

    The equilibrium states of 2D non-coarsening fluid foams, which consist of bubbles with fixed areas, correspond to local minima of the total perimeter. (1) The authors find an approximate value of the global minimum, and determine directly from an image how far a foam is from its ground state. (2) For (small) area disorder, small bubbles tend to sort inwards and large bubbles outwards. (3) Topological charges of the same sign repel while charges of opposite sign attract. (4) They discuss boundary conditions and the uniqueness of the pattern for fixed topology.

  11. Codon Constraints on Closed 2D Shapes,

    DTIC Science & Technology

    2014-09-26

    19843$ CODON CONSTRAINTS ON CLOSED 2D SHAPES Go Whitman Richards "I Donald D. Hoffman’ D T 18 Abstract: Codons are simple primitives for describing plane...RSONAL AUT"ORtIS) Richards, Whitman & Hoffman, Donald D. 13&. TYPE OF REPORT 13b. TIME COVERED N/A P8 AT F RRrT t~r. Ago..D,) is, PlE COUNT Reprint...outlines, if figure and ground are ignored. Later, we will address the problem of indexing identical codon descriptors that have different figure

  12. Dedicated monolithic infrared spectrometer for process monitoring

    NASA Astrophysics Data System (ADS)

    Chadha, Suneet; Kyle, William; Bolduc, Roy A.; Curtiss, Lawrence E.

    1999-12-01

    Foster-Miller has leveraged its innovations in IR fiber- optic probes and the recent development of a miniature spectrometer to build a novel IR sensor system for process applications. The developed sensor systems is a low-cost alternative to process FTIR and filter based systems. A monolithic wedge-grating optic provides the spectral dispersion with low cost thermopile point or array detectors picking off the diffracted wavelengths from the optic. The integrated optic provides spectral discrimination between 3- 12 micrometers with resolution at 8 cm-1 or better and high overall optical throughput. The device has a fixed cylindrical grating uniquely bonded to the edge of a ZnSe conditioning 'wedge'. The conditioning optic overcomes limitations of concave gratings as it accepts high angle light at the narrow end of the wedge and progressively conditions it to be near normal to the grating. On return, the diffracted wavelengths are concentrated on the discrete or array detector elements by the wedge, providing throughput comparable to that of an FTIR. The miniature spectrometer coupled to flow through liquid cells or multipass gas cells provides significant cost advantage over conventional sampling methodologies. Currently, we are investigating process applications for the petroleum and dairy markets. The sensor system eliminates the cost, complexity, reliability and bandwidth/resolution problems associated with either Fabry Perot or Michelson Interferometer based approaches for low-cost process applications.

  13. IR beamline at the Swiss Light Source

    NASA Astrophysics Data System (ADS)

    Ph, Lerch; L, Quaroni; J, Wambach; J, Schneider; B, Armstrong D.; D, Rossetti; L, Mueller F.; P, Peier; V, Schlott; L, Carroll; P, Friedli; H, Sigg; S, Stutz; M, Tran

    2012-05-01

    The infrared beamline at the Swiss light source uses dipole radiation and is designed to transport light to four experimental stations, A, B, C, D. Branch A is dedicated to far IR work in vacuum; branch B is a micro-spectrometer; branch C is dedicated to high resolution spectroscopy in the gas phase; branch D is a pump and probe set-up. This contribution describes the optical layout and provides a brief survey of currently available experimental stations. The beamline is in regular user operation since 2009.

  14. IR Hot Wave

    SciTech Connect

    Graham, T. B.

    2010-04-01

    The IR Hot Wave{trademark} furnace is a breakthrough heat treatment system for manufacturing metal components. Near-infrared (IR) radiant energy combines with IR convective heating for heat treating. Heat treatment is an essential process in the manufacture of most components. The controlled heating and cooling of a metal or metal alloy alters its physical, mechanical, and sometimes chemical properties without changing the object's shape. The IR Hot Wave{trademark} furnace offers the simplest, quickest, most efficient, and cost-effective heat treatment option for metals and metal alloys. Compared with other heat treatment alternatives, the IR Hot Wave{trademark} system: (1) is 3 to 15 times faster; (2) is 2 to 3 times more energy efficient; (3) is 20% to 50% more cost-effective; (4) has a {+-}1 C thermal profile compared to a {+-}10 C thermal profile for conventional gas furnaces; and (5) has a 25% to 50% smaller footprint.

  15. Remarks on thermalization in 2D CFT

    NASA Astrophysics Data System (ADS)

    de Boer, Jan; Engelhardt, Dalit

    2016-12-01

    We revisit certain aspects of thermalization in 2D conformal field theory (CFT). In particular, we consider similarities and differences between the time dependence of correlation functions in various states in rational and non-rational CFTs. We also consider the distinction between global and local thermalization and explain how states obtained by acting with a diffeomorphism on the ground state can appear locally thermal, and we review why the time-dependent expectation value of the energy-momentum tensor is generally a poor diagnostic of global thermalization. Since all 2D CFTs have an infinite set of commuting conserved charges, generic initial states might be expected to give rise to a generalized Gibbs ensemble rather than a pure thermal ensemble at late times. We construct the holographic dual of the generalized Gibbs ensemble and show that, to leading order, it is still described by a Banados-Teitelboim-Zanelli black hole. The extra conserved charges, while rendering c <1 theories essentially integrable, therefore seem to have little effect on large-c conformal field theories.

  16. Microwave Assisted 2D Materials Exfoliation

    NASA Astrophysics Data System (ADS)

    Wang, Yanbin

    Two-dimensional materials have emerged as extremely important materials with applications ranging from energy and environmental science to electronics and biology. Here we report our discovery of a universal, ultrafast, green, solvo-thermal technology for producing excellent-quality, few-layered nanosheets in liquid phase from well-known 2D materials such as such hexagonal boron nitride (h-BN), graphite, and MoS2. We start by mixing the uniform bulk-layered material with a common organic solvent that matches its surface energy to reduce the van der Waals attractive interactions between the layers; next, the solutions are heated in a commercial microwave oven to overcome the energy barrier between bulk and few-layers states. We discovered the minutes-long rapid exfoliation process is highly temperature dependent, which requires precise thermal management to obtain high-quality inks. We hypothesize a possible mechanism of this proposed solvo-thermal process; our theory confirms the basis of this novel technique for exfoliation of high-quality, layered 2D materials by using an as yet unknown role of the solvent.

  17. Tropospheric and Airborne Emission Spectrometers

    NASA Technical Reports Server (NTRS)

    Glavich, Thomas; Beer, Reinhard

    1996-01-01

    X This paper describes the development of two related instruments, the Tropospheric Emission Spectrometer (TES) and the Airborne Emission Spectrometer (AES). Both instruments are infrared imaging Fourier Transform Spectrometers, used for measuring the state of the lower atmosphere, and in particular the measurement of ozone and ozone sources and sinks.

  18. Smartphone spectrometer for colorimetric biosensing.

    PubMed

    Wang, Yi; Liu, Xiaohu; Chen, Peng; Tran, Nhung Thi; Zhang, Jinling; Chia, Wei Sheng; Boujday, Souhir; Liedberg, Bo

    2016-05-23

    We report on a smartphone spectrometer for colorimetric biosensing applications. The spectrometer relies on a sample cell with an integrated grating substrate, and the smartphone's built-in light-emitting diode flash and camera. The feasibility of the smartphone spectrometer is demonstrated for detection of glucose and human cardiac troponin I, the latter in conjunction with peptide-functionalized gold nanoparticles.

  19. 2-D or not 2-D, that is the question: A Northern California test

    SciTech Connect

    Mayeda, K; Malagnini, L; Phillips, W S; Walter, W R; Dreger, D

    2005-06-06

    Reliable estimates of the seismic source spectrum are necessary for accurate magnitude, yield, and energy estimation. In particular, how seismic radiated energy scales with increasing earthquake size has been the focus of recent debate within the community and has direct implications on earthquake source physics studies as well as hazard mitigation. The 1-D coda methodology of Mayeda et al. has provided the lowest variance estimate of the source spectrum when compared against traditional approaches that use direct S-waves, thus making it ideal for networks that have sparse station distribution. The 1-D coda methodology has been mostly confined to regions of approximately uniform complexity. For larger, more geophysically complicated regions, 2-D path corrections may be required. The complicated tectonics of the northern California region coupled with high quality broadband seismic data provides for an ideal ''apples-to-apples'' test of 1-D and 2-D path assumptions on direct waves and their coda. Using the same station and event distribution, we compared 1-D and 2-D path corrections and observed the following results: (1) 1-D coda results reduced the amplitude variance relative to direct S-waves by roughly a factor of 8 (800%); (2) Applying a 2-D correction to the coda resulted in up to 40% variance reduction from the 1-D coda results; (3) 2-D direct S-wave results, though better than 1-D direct waves, were significantly worse than the 1-D coda. We found that coda-based moment-rate source spectra derived from the 2-D approach were essentially identical to those from the 1-D approach for frequencies less than {approx}0.7-Hz, however for the high frequencies (0.7{le} f {le} 8.0-Hz), the 2-D approach resulted in inter-station scatter that was generally 10-30% smaller. For complex regions where data are plentiful, a 2-D approach can significantly improve upon the simple 1-D assumption. In regions where only 1-D coda correction is available it is still preferable over 2

  20. Improvement of X-ray Imaging Crystal Spectrometers for KSTAR

    NASA Astrophysics Data System (ADS)

    Lee, Sang Gon; Bitter, M.; Nam, U. W.; Moon, M. K.

    2005-10-01

    The X-ray imaging crystal spectrometers for the KSTAR tokamak will provide spatially and temporally resolved spectra of the resonance line of helium-like argon (or krypton) and the associated satellites from multiple lines of sight parallel and perpendicular to the horizontal mid-plane for measurements of the profiles of the ion and electron temperatures, plasma rotation velocity, and ionization equilibrium. The spectrometers are consisted of a spherically bent quartz crystal and a 10 cm x 30 cm large 2D position-sensitive multi-wire proportional counter. A 2D detector with delay-line readout and supporting electronics has been fabricated and tested on the NSTX tokamak at PPPL. Position resolution and count rate capability of the 2D detector are still need to be improved to meet the requirements. Hence, a segmented version of the 2D detector is under development to satisfy the requirements. The experimental results from the improved 2D detector will be presented.

  1. Methane Line Intensities: Near and Far IR

    NASA Astrophysics Data System (ADS)

    Brown, Linda R.; Devi, V. Malathy; Wishnow, Edward H.; Sung, Keeyoon; Crawford, Timothy J.; Mantz, Arlan W.; Smith, Mary Ann H.; Predoi-Cross, Adriana; Benner, D. Chris

    2014-11-01

    Accurate knowledge of line intensities is crucial input for radiance calculations to interpret atmospheric observations of planets and moons. We have therefore undertaken extensive laboratory studies to measure the methane spectrum line-by-line in order to improve theoretical quantum mechanical modeling for molecular spectroscopy databases (e. g. HITRAN and GEISA) used by planetary astronomers. Preliminary results will be presented for selected ro-vibrational transitions in both the near-IR (1.66 and 2.2 - 2.4 microns) and the far-IR (80 - 120 microns) regions. For this, we have recorded high-resolution spectra (instrumental resolving power: 1,300,000 (NIR) and 10,000 (FIR)) with the Bruker 125HR Fourier transform spectrometer at JPL using isotopically-enriched 12CH4 and 13CH4, as well as normal methane samples. For the NIR wavelengths, three different absorption cells have been employed to achieve sample temperatures ranging from 78 K to 299 K: 1) a White cell set to a path length of 13.09 m for room temperature data, 2) a single-pass 0.2038 m cold cell and 3) a new coolable Herriott cell with a fixed 20.941 m optical path and configured for the first time to a FT-IR spectrometer. For the Far-IR, another coolable absorption chamber set to a 52 m optical path has been used. These new experiments and intensity measurements will be presented and discussed.Part of the research described in this paper was performed at the Jet Propulsion Laboratory, California Institute of Technology, the University of California, Berkeley, Connecticut College, and NASA Langley under contracts and grants with the National Aeronautics and Space Administration. A. Predoi-Cross and her research group have been supported by the National Science and Engineering Research Council of Canada.

  2. FAST NEUTRON SPECTROMETER

    DOEpatents

    Davis, F.J.; Hurst, G.S.; Reinhardt, P.W.

    1959-08-18

    An improved proton recoil spectrometer for determining the energy spectrum of a fast neutron beam is described. Instead of discriminating against and thereby"throwing away" the many recoil protons other than those traveling parallel to the neutron beam axis as do conventional spectrometers, this device utilizes protons scattered over a very wide solid angle. An ovoidal gas-filled recoil chamber is coated on the inside with a scintillator. The ovoidal shape of the sensitive portion of the wall defining the chamber conforms to the envelope of the range of the proton recoils from the radiator disposed within the chamber. A photomultiplier monitors the output of the scintillator, and a counter counts the pulses caused by protons of energy just sufficient to reach the scintillator.

  3. The ALPHA Magnetic Spectrometer

    NASA Astrophysics Data System (ADS)

    Viertel, G. M.; Capell, M.

    1998-12-01

    The ALPHA Magnetic Spectrometer (AMS) will be the first large magnetic spectrometer in space. It is scheduled to be installed on the future International Space Station ALPHA (ISSA) in the year 2002 to perform measurements of the charged particle composition to answer fundamental questions in particle physics and astrophysics. Before installation on ISSA, AMS will fly on the shuttle DISCOVERY for a period of 10 days starting in May 1998. This will enable AMS to perform a test of the apparatus and first measurements. The AMS detector has five major components: A permanent NdFeB magnet, six planes of Silicon double-sided microstrip detectors, a plastic scintillator time of flight hodoscope, a plastic scintillator anticoincidence counter and an Aerogel Cherenkov threshold counter. In addition, there are electronics, support infrastructure and interfaces.

  4. Surface Plasmon Based Spectrometer

    NASA Astrophysics Data System (ADS)

    Wig, Andrew; Passian, Ali; Boudreaux, Philip; Ferrell, Tom

    2008-03-01

    A spectrometer that uses surface plasmon excitation in thin metal films to separate light into its component wavelengths is described. The use of surface plasmons as a dispersive medium sets this spectrometer apart from prism, grating, and interference based variants and allows for the miniaturization of this device. Theoretical and experimental results are presented for two different operation models. In the first case surface plasmon tunneling in the near field is used to provide transmission spectra of different broad band-pass, glass filters across the visible wavelength range with high stray-light rejection at low resolution as well as absorption spectra of chlorophyll extracted from a spinach leaf. The second model looks at the far field components of surface plasmon scattering.

  5. Galileo Ultraviolet Spectrometer experiment

    NASA Technical Reports Server (NTRS)

    Hord, C. W.; Mcclintock, W. E.; Stewart, A. I. F.; Barth, C. A.; Esposito, L. W.; Thomas, G. E.; Sandel, B. R.; Hunten, D. M.; Broadfoot, A. L.; Shemansky, D. E.

    1992-01-01

    The Galileo ultraviolet spectrometer experiment uses data obtained by the Ultraviolet Spectrometer (UVS) mounted on the pointed orbiter scan platform and from the Extreme Ultraviolet Spectrometer (EUVS) mounted on the spinning part of the orbiter with the field of view perpendicular to the spin axis. The UVS is a Ebert-Fastie design that covers the range 113-432 nm with a wavelength resolution of 0.7 nm below 190 and 1.3 nm at longer wavelengths. The UVS spatial resolution is 0.4 deg x 0.1 deg for illuminated disk observations and 1 deg x 0.1 deg for limb geometries. The EUVS is a Voyager design objective grating spectrometer, modified to cover the wavelength range from 54 to 128 nm with wavelength resolution 3.5 nm for extended sources and 1.5 nm for point sources and spatial resolution of 0.87 deg x 0.17 deg. The EUVS instrument will follow up on the many Voyager UVS discoveries, particularly the sulfur and oxygen ion emissions in the Io torus and molecular and atomic hydrogen auroral and airglow emissions from Jupiter. The UVS will obtain spectra of emission, absorption, and scattering features in the unexplored, by spacecraft, 170-432 nm wavelength region. The UVS and EUVS instruments will provide a powerful instrument complement to investigate volatile escape and surface composition of the Galilean satellites, the Io plasma torus, micro- and macro-properties of the Jupiter clouds, and the composition structure and evolution of the Jupiter upper atmosphere.

  6. Miniaturized Ion Mobility Spectrometer

    NASA Technical Reports Server (NTRS)

    Kaye, William J. (Inventor); Stimac, Robert M. (Inventor)

    2015-01-01

    By utilizing the combination of a unique electronic ion injection control circuit in conjunction with a particularly designed drift cell construction, the instantly disclosed ion mobility spectrometer achieves increased levels of sensitivity, while achieving significant reductions in size and weight. The instant IMS is of a much simpler and easy to manufacture design, rugged and hermetically sealed, capable of operation at high temperatures to at least 250.degree. C., and is uniquely sensitive, particularly to explosive chemicals.

  7. Demonstration AOTF Imaging Spectrometer

    NASA Technical Reports Server (NTRS)

    Chao, Tien-Hsin; Yu, Jeffrey; Cheng, Li-Jen

    1993-01-01

    Spectral images of high quality obtained. Acousto-optical-tunable-filter (AOTF) imaging spectrometer is optical system in which AOTF serves as spectrally dispersive element causing image on final focal plane to be shifted on plane by distance depending on wavelength of light emanating from scene. Useful in several applications involving identification, via characteristic spectras, of substances in observed scenes: examples include prospecting for minerals and detecting chemical pollutants.

  8. Transition to turbulence: 2D directed percolation

    NASA Astrophysics Data System (ADS)

    Chantry, Matthew; Tuckerman, Laurette; Barkley, Dwight

    2016-11-01

    The transition to turbulence in simple shear flows has been studied for well over a century, yet in the last few years has seen major leaps forward. In pipe flow, this transition shows the hallmarks of (1 + 1) D directed percolation, a universality class of continuous phase transitions. In spanwisely confined Taylor-Couette flow the same class is found, suggesting the phenomenon is generic to shear flows. However in plane Couette flow the largest simulations and experiments to-date find evidence for a discrete transition. Here we study a planar shear flow, called Waleffe flow, devoid of walls yet showing the fundamentals of planar transition to turbulence. Working with a quasi-2D yet Navier-Stokes derived model of this flow we are able to attack the (2 + 1) D transition problem. Going beyond the system sizes previously possible we find all of the required scalings of directed percolation and thus establish planar shears flow in this class.

  9. 2D quantum gravity from quantum entanglement.

    PubMed

    Gliozzi, F

    2011-01-21

    In quantum systems with many degrees of freedom the replica method is a useful tool to study the entanglement of arbitrary spatial regions. We apply it in a way that allows them to backreact. As a consequence, they become dynamical subsystems whose position, form, and extension are determined by their interaction with the whole system. We analyze, in particular, quantum spin chains described at criticality by a conformal field theory. Its coupling to the Gibbs' ensemble of all possible subsystems is relevant and drives the system into a new fixed point which is argued to be that of the 2D quantum gravity coupled to this system. Numerical experiments on the critical Ising model show that the new critical exponents agree with those predicted by the formula of Knizhnik, Polyakov, and Zamolodchikov.

  10. Simulation of Yeast Cooperation in 2D.

    PubMed

    Wang, M; Huang, Y; Wu, Z

    2016-03-01

    Evolution of cooperation has been an active research area in evolutionary biology in decades. An important type of cooperation is developed from group selection, when individuals form spatial groups to prevent them from foreign invasions. In this paper, we study the evolution of cooperation in a mixed population of cooperating and cheating yeast strains in 2D with the interactions among the yeast cells restricted to their small neighborhoods. We conduct a computer simulation based on a game theoretic model and show that cooperation is increased when the interactions are spatially restricted, whether the game is of a prisoner's dilemma, snow drifting, or mutual benefit type. We study the evolution of homogeneous groups of cooperators or cheaters and describe the conditions for them to sustain or expand in an opponent population. We show that under certain spatial restrictions, cooperator groups are able to sustain and expand as group sizes become large, while cheater groups fail to expand and keep them from collapse.

  11. 2D Electrostatic Actuation of Microshutter Arrays

    NASA Technical Reports Server (NTRS)

    Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Jones, Justin S.; Kelly, Daniel P.; Zheng, Yun; Kutyrev, Alexander S.; Moseley, Samuel H.

    2015-01-01

    An electrostatically actuated microshutter array consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutter arrays demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

  12. Graphene suspensions for 2D printing

    NASA Astrophysics Data System (ADS)

    Soots, R. A.; Yakimchuk, E. A.; Nebogatikova, N. A.; Kotin, I. A.; Antonova, I. V.

    2016-04-01

    It is shown that, by processing a graphite suspension in ethanol or water by ultrasound and centrifuging, it is possible to obtain particles with thicknesses within 1-6 nm and, in the most interesting cases, 1-1.5 nm. Analogous treatment of a graphite suspension in organic solvent yields eventually thicker particles (up to 6-10 nm thick) even upon long-term treatment. Using the proposed ink based on graphene and aqueous ethanol with ethylcellulose and terpineol additives for 2D printing, thin (~5 nm thick) films with sheet resistance upon annealing ~30 MΩ/□ were obtained. With the ink based on aqueous graphene suspension, the sheet resistance was ~5-12 kΩ/□ for 6- to 15-nm-thick layers with a carrier mobility of ~30-50 cm2/(V s).

  13. Canard configured aircraft with 2-D nozzle

    NASA Technical Reports Server (NTRS)

    Child, R. D.; Henderson, W. P.

    1978-01-01

    A closely-coupled canard fighter with vectorable two-dimensional nozzle was designed for enhanced transonic maneuvering. The HiMAT maneuver goal of a sustained 8g turn at a free-stream Mach number of 0.9 and 30,000 feet was the primary design consideration. The aerodynamic design process was initiated with a linear theory optimization minimizing the zero percent suction drag including jet effects and refined with three-dimensional nonlinear potential flow techniques. Allowances were made for mutual interference and viscous effects. The design process to arrive at the resultant configuration is described, and the design of a powered 2-D nozzle model to be tested in the LRC 16-foot Propulsion Wind Tunnel is shown.

  14. Numerical Evaluation of 2D Ground States

    NASA Astrophysics Data System (ADS)

    Kolkovska, Natalia

    2016-02-01

    A ground state is defined as the positive radial solution of the multidimensional nonlinear problem \\varepsilon propto k_ bot 1 - ξ with the function f being either f(u) =a|u|p-1u or f(u) =a|u|pu+b|u|2pu. The numerical evaluation of ground states is based on the shooting method applied to an equivalent dynamical system. A combination of fourth order Runge-Kutta method and Hermite extrapolation formula is applied to solving the resulting initial value problem. The efficiency of this procedure is demonstrated in the 1D case, where the maximal difference between the exact and numerical solution is ≈ 10-11 for a discretization step 0:00025. As a major application, we evaluate numerically the critical energy constant. This constant is defined as a functional of the ground state and is used in the study of the 2D Boussinesq equations.

  15. X-ray Spectrometer

    NASA Technical Reports Server (NTRS)

    Porter, F. Scott

    2004-01-01

    The X-ray Spectrometer (XRS) instrument is a revolutionary non-dispersive spectrometer that will form the basis for the Astro-E2 observatory to be launched in 2005. We have recently installed a flight spare X R S microcalorimeter spectrometer at the EBIT-I facility at LLNL replacing the XRS from the earlier Astro-E mission and providing twice the resolution. The X R S microcalorimeter is an x-ray detector that senses the heat deposited by the incident photon. It achieves a high energy resolution by operating at 0.06K and by carefully controlling the heat capacity and thermal conductance. The XRS/EBIT instrument has 32 pixels in a square geometry and achieves an energy resolution of 6 eV at 6 keV, with a bandpass from 0.1 to 12 keV (or more at higher operating temperature). The instrument allows detailed studies of the x-ray line emission of laboratory plasmas. The XRS/EBIT also provides an extensive calibration "library" for the Astro-E2 observatory.

  16. Metrology for graphene and 2D materials

    NASA Astrophysics Data System (ADS)

    Pollard, Andrew J.

    2016-09-01

    The application of graphene, a one atom-thick honeycomb lattice of carbon atoms with superlative properties, such as electrical conductivity, thermal conductivity and strength, has already shown that it can be used to benefit metrology itself as a new quantum standard for resistance. However, there are many application areas where graphene and other 2D materials, such as molybdenum disulphide (MoS2) and hexagonal boron nitride (h-BN), may be disruptive, areas such as flexible electronics, nanocomposites, sensing and energy storage. Applying metrology to the area of graphene is now critical to enable the new, emerging global graphene commercial world and bridge the gap between academia and industry. Measurement capabilities and expertise in a wide range of scientific areas are required to address this challenge. The combined and complementary approach of varied characterisation methods for structural, chemical, electrical and other properties, will allow the real-world issues of commercialising graphene and other 2D materials to be addressed. Here, examples of metrology challenges that have been overcome through a multi-technique or new approach are discussed. Firstly, the structural characterisation of defects in both graphene and MoS2 via Raman spectroscopy is described, and how nanoscale mapping of vacancy defects in graphene is also possible using tip-enhanced Raman spectroscopy (TERS). Furthermore, the chemical characterisation and removal of polymer residue on chemical vapour deposition (CVD) grown graphene via secondary ion mass spectrometry (SIMS) is detailed, as well as the chemical characterisation of iron films used to grow large domain single-layer h-BN through CVD growth, revealing how contamination of the substrate itself plays a role in the resulting h-BN layer. In addition, the role of international standardisation in this area is described, outlining the current work ongoing in both the International Organization of Standardization (ISO) and the

  17. Development of mid-IR lasers for Laser Remote Sensing

    NASA Technical Reports Server (NTRS)

    Soibel, Alexander; Mansour, Kamjou; Spiers, Gary; Forouhar, Siamak

    2005-01-01

    There is an existing need in JPL and in NASA for development of mid-IR lasers, such as Quantum Cascade (QC) lasers, for in-situ and remote laser spectrometers. Mid-IR, compact, low power consumption laser spectrometers have a great potential for detection and measurements of planetary gases and biological important biomarker molecules such as H20, H202, CH4, and many additional chemical species on Mars and other Solar system planets. Another potential application of QC lasers for future NASA mission is in high power remote Laser Reflectance Spectrometers (LRS). In LSR instrument, mid-infrared lasers will act as the illumination source for conducting active mid-IR reflectance spectroscopy of solid-surfaced objects in the outer Solar System. These spectrometers have the potential to provide an incredible amount of information about the compositions of surfaces in the outer Solar System. In this work, we will discuss our current effort at JPL to advance QC lasers to a level that the laser performance, operational requirements and reliability be compatible with the instruments demands for space exploration applications.

  18. Mass spectrometers: instrumentation

    NASA Astrophysics Data System (ADS)

    Cooks, R. G.; Hoke, S. H., II; Morand, K. L.; Lammert, S. A.

    1992-09-01

    Developments in mass spectrometry instrumentation over the past three years are reviewed. The subject is characterized by an enormous diversity of designs, a high degree of competition between different laboratories working with either different or similar techniques and by extremely rapid progress in improving analytical performance. Instruments can be grouped into genealogical charts based on their physical and conceptual interrelationships. This is illustrated using mass analyzers of different types. The time course of development of particular instrumental concepts is illustrated in terms of the s-curves typical of cell growth. Examples are given of instruments which are at the exponential, linear and mature growth stages. The prime examples used are respectively: (i) hybrid instruments designed to study reactive collisions of ions with surfaces: (ii) the Paul ion trap; and (iii) the triple quadrupole mass spectrometer. In the area of ion/surface collisions, reactive collisions such as hydrogen radical abstraction from the surface by the impinging ion are studied. They are shown to depend upon the chemical nature of the surface through the use of experiments which utilize self-assembled monolayers as surfaces. The internal energy deposited during surface-induced dissociation upon collision with different surfaces in a BEEQ instrument is also discussed. Attention is also given to a second area of emerging instrumentation, namely technology which allows mass spectrometers to be used for on-line monitoring of fluid streams. A summary of recent improvements in the performance of the rapidly developing quadrupole ion trap instrument illustrates this stage of instrument development. Improvements in resolution and mass range and their application to the characterization of biomolecules are described. The interaction of theory with experiment is illustrated through the role of simulations of ion motion in the ion trap. It is emphasized that mature instruments play a

  19. VizieR Online Data Catalog: c2d Spitzer final data release (DR4) (Evans+, 2003)

    NASA Astrophysics Data System (ADS)

    Evans, N. J., II; Allen, L. E.; Blake, G. A.; Boogert, A. C. A.; Bourke, T.; Harvey, P. M.; Kessler, J. E.; Koerner, D. W.; Lee, C. W.; Mundy, L. G.; Myers, P. C.; Padgett, D. L.; Pontoppidan, K.; Sargent, A. I.; Stapelfeldt, K. R.; van Dishoeck, E. F.; Young, C. H.; Young, K. E.

    2014-05-01

    This is the final delivery (DR4, Fall 2006 and Fall 2007) of the Spitzer Space Telescope "From Molecular Cores to Planet-Forming Disks" (c2d) Legacy Project. The data are also available as Enhanced Products from the Spitzer Science Center (SSC). c2d has delivered 867 catalogs. IRSA has merged these delivered catalogs into four groups - Clouds, Off-Cloud, Cores, Stars - and serves them through the general catalog search engine Gator. Many of the delivered catalogs, images and spectra are accessible through IRSA's general search service, Atlas. As a service to its users, the CDS has downloaded a dataset containing most of the c2d data (but not all columns) from the IRSA archive. The individual catalogs are listed below: C2D Fall '07 Full CLOUDS Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 High Reliability (HREL) CLOUDS Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 candidate Young Stellar Objects (YSO) CLOUDS Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 Full OFF-CLOUD Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 candidate Young Stellar Objects (YSO) OFF-CLOUD Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 Full CORES Catalog C2D Fall '07 candidate Young Stellar Objects (YSO) CORES Catalog C2D Fall '07 Full STARS Catalog C2D Fall '07 candidate Young Stellar Objects (YSO) STARS Catalog These tables have been merged into a single table at CDS. All three SIRTF instruments (Infrared Array Camera [IRAC], Multiband Imaging Photometer for SIRTF [MIPS], and Infrared Spectrograph [IRS]) were used to observe sources that span the evolutionary sequence from molecular cores to protoplanetary disks, encompassing a wide range of cloud masses, stellar masses, and star-forming environments. (1 data file).

  20. Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

  1. Ternary recombination of H3+, H2D+, HD2+, and D3+ with electrons in He/Ar/H2/D2 gas mixtures

    NASA Astrophysics Data System (ADS)

    Kalosi, Abel; Dohnal, Petr; Plasil, Radek; Johnsen, Rainer; Glosik, Juraj

    2016-09-01

    The temperature dependence of the ternary recombination rate coefficients of H2D+ and HD2+ ions has been studied in the temperature range of 80-150 K at pressures from 500 to 1700 Pa in a stationary afterglow apparatus equipped with a cavity ring-down spectrometer. Neutral gas mixtures consisting of He/Ar/H2/D2 (with typical number densities 1017 /1014 /1014 /1014 cm-3) were employed to produce the desired ionic species and their fractional abundances were monitored as a function of helium pressure and the [D2]/[H2] ratio of the neutral gas. In addition, the translational and the rotational temperature and the ortho to para ratio were monitored for both H2D+ and HD2+ ions. A fairly strong pressure dependence of the effective recombination rate coefficient was observed for both ion species, leading to ternary recombination rate coefficients close to those previously found for (helium assisted) ternary recombination of H3+ and D3+. Work supported by: Czech Science Foundation projects GACR 14-14649P, GACR 15-15077S, GACR P209/12/0233, and by Charles University in Prague Project Nr. GAUK 692214.

  2. Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses

    NASA Astrophysics Data System (ADS)

    Gordon, Elijah E.; Xiang, Hongjun; Köhler, Jürgen; Whangbo, Myung-Hwan

    2016-03-01

    The spins of the low-spin Ir4+ (S = 1/2, d5) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4, and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of density functional theory (DFT) calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr3NiIrO6 and Sr2IrO4 are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na2IrO3, both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir4+ spin orientation of Na2IrO3 should have nonzero components along the c- and a-axis directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir4+ ions are taken into consideration. There are indications implying that the 5d electrons of Na2IrO3 are less strongly localized compared with those of Sr3NiIrO6 and Sr2IrO4. This implication was confirmed by showing that the Madelung potentials of the Ir4+ ions are less negative in Na2IrO3 than in Sr3NiIrO6 and Sr2IrO4. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. The spin-orbital entanglement for the 5d spin-half ions Ir4+ is not as strong as has been assumed.

  3. Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4 and Na2IrO3: Density functional, perturbation theory and Madelung potential analyses

    DOE PAGES

    Gordon, Elijah E.; Xiang, Hongjun; Koehler, Jurgen; ...

    2016-03-01

    The spins of the low-spin Ir4+ (S = 1/2, d5) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4 and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of DFT calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr3NiIrO6 and Sr2IrO4 are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na2IrO3,more » both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir4+ spin orientation of Na2IrO3 should have nonzero components along the c- and a-axes directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir4+ ions are taken into consideration. There are indications implying that the 5d electrons of Na2IrO3 are less strongly localized compared with those of Sr3NiIrO6 and Sr2IrO4. This implication was confirmed by showing that the Madelung potentials of the Ir4+ ions are less negative in Na2IrO3 than in Sr3NiIrO6, Sr2IrO4. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. As a result, the spin-orbital entanglement for the 5d spin-half ions Ir4+ is not as strong as has been assumed lately.« less

  4. IR Linearity Monitor

    NASA Astrophysics Data System (ADS)

    Hilbert, Bryan

    2012-10-01

    These observations will be used to monitor the signal non-linearity of the IR channel, as well as to update the IR channel non-linearity calibration reference file. The non-linearity behavior of each pixel in the detector will be investigated through the use of full frame and subarray flat fields, while the photometric behavior of point sources will be studied using observations of 47 Tuc. This is a continuation of the Cycle 19 non-linearity monitor, program 12696.

  5. IR linearity monitor

    NASA Astrophysics Data System (ADS)

    Hilbert, Bryan

    2013-10-01

    These observations will be used to monitor the signal non-linearity of the IR channel, as well as to update the IR channel non-linearity calibration reference file. The non-linearity behavior of each pixel in the detector will be investigated through the use of full frame and subarray flat fields, while the photometric behavior of point sources will be studied using observations of 47 Tuc. This is a continuation of the Cycle 20 non-linearity monitor, program 13079.

  6. Imaging telescope-spectrometer for infrared sky surveys

    NASA Astrophysics Data System (ADS)

    Maslov, Igor A.; Sholomitskii, Gennadii B.; Kuznetsov, Arkadii E.; Patrashin, Michail A.; Olejnikov, Leonid S.

    1995-06-01

    A new type of imaging telescope-spectrometer for surviving the sky aboard a satellite is described. A static Michelson interferometer in front of an objective with 2D-arrays in its focal plane is capable of providing interferograms both for point and extended sources. As an example, the telescope-spectrometer based on the 15-cm telescope of the IKON project and a plane-parallel Ge plate as a beamsplitter may have approximately equals 30 cm(superscript -1 spectral resolution in the range 3 - 20 micrometers . For higher resolution, such an objective interferometer has advantage over a dispersion spectrometer in the signal-to-noise ratio and is free from the disadvantage of an objective prism not providing spectra of extended sources.

  7. Study of Laminar Flame 2-D Scalar Values at Various Fuel to Air Ratios Using an Imaging Fourier-Transform Spectrometer and 2-D CFD Analysis

    DTIC Science & Technology

    2013-03-01

    lead to improved computational fluid dynamics (CFD) models and combustor designs in aircraft as well as more efficient gas laser systems...on the spectrum ( ),i jL ν as ( ) ( ) ( ), , 0 1 1 cos 2 ( ) 2i j i j DC AC I x G L d I I x ∞ π ν ννν= + = +  ∫   , (6) where i and j

  8. Data Reduction Software for the VLT Integral Field Spectrometer SPIFFI

    NASA Astrophysics Data System (ADS)

    Schreiber, J.; Thatte, N.; Eisenhauer, F.; Tecza, M.; Abuter, R.; Horrobin, M.

    2004-07-01

    A data reduction software package is developed to reduce data of the near-IR integral field spectrometer SPIFFI built at MPE. The basic data reduction routines are coded in ANSI C. The high level scripting language Python is used to connect the C-routines allowing fast prototyping. Several Python scripts are written to produce the needed calibration data and to generate the final result, a wavelength calibrated data cube with the instrumental signatures removed.

  9. Persistence Measures for 2d Soap Froth

    NASA Astrophysics Data System (ADS)

    Feng, Y.; Ruskin, H. J.; Zhu, B.

    Soap froths as typical disordered cellular structures, exhibiting spatial and temporal evolution, have been studied through their distributions and topological properties. Recently, persistence measures, which permit representation of the froth as a two-phase system, have been introduced to study froth dynamics at different length scales. Several aspects of the dynamics may be considered and cluster persistence has been observed through froth experiment. Using a direct simulation method, we have investigated persistent properties in 2D froth both by monitoring the persistence of survivor cells, a topologically independent measure, and in terms of cluster persistence. It appears that the area fraction behavior for both survivor and cluster persistence is similar for Voronoi froth and uniform froth (with defects). Survivor and cluster persistent fractions are also similar for a uniform froth, particularly when geometries are constrained, but differences observed for the Voronoi case appear to be attributable to the strong topological dependency inherent in cluster persistence. Survivor persistence, on the other hand, depends on the number rather than size and position of remaining bubbles and does not exhibit the characteristic decay to zero.

  10. SEM signal emulation for 2D patterns

    NASA Astrophysics Data System (ADS)

    Sukhov, Evgenii; Muelders, Thomas; Klostermann, Ulrich; Gao, Weimin; Braylovska, Mariya

    2016-03-01

    The application of accurate and predictive physical resist simulation is seen as one important use model for fast and efficient exploration of new patterning technology options, especially if fully qualified OPC models are not yet available at an early pre-production stage. The methodology of using a top-down CD-SEM metrology to extract the 3D resist profile information, such as the critical dimension (CD) at various resist heights, has to be associated with a series of presumptions which may introduce such small, but systematic CD errors. Ideally, the metrology effects should be carefully minimized during measurement process, or if possible be taken into account through proper metrology modeling. In this paper we discuss the application of a fast SEM signal emulation describing the SEM image formation. The algorithm is applied to simulated resist 3D profiles and produces emulated SEM image results for 1D and 2D patterns. It allows estimating resist simulation quality by comparing CDs which were extracted from the emulated and from the measured SEM images. Moreover, SEM emulation is applied for resist model calibration to capture subtle error signatures through dose and defocus. Finally, it should be noted that our SEM emulation methodology is based on the approximation of physical phenomena which are taking place in real SEM image formation. This approximation allows achieving better speed performance compared to a fully physical model.

  11. Competing coexisting phases in 2D water

    NASA Astrophysics Data System (ADS)

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-05-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules.

  12. Competing coexisting phases in 2D water

    PubMed Central

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-01-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules. PMID:27185018

  13. The GRANIT spectrometer

    SciTech Connect

    Baessler, Stefan; Beau, M; Kreuz, Michael; Nesvizhevsky, V.; Kurlov, V; Pignol, G; Protasov, K.; Vezzu, Francis; Voronin, Vladimir

    2011-01-01

    The existence of quantum states of matter in a gravitational field was demonstrated recently in the Institut Laue-Langevin (ILL), Grenoble, in a series of experiments with ultra cold neutrons (UCN). UCN in low quantum states is an excellent probe for fundamental physics, in particular for constraining extra short-range forces; as well as a tool in quantum optics and surface physics. The GRANIT is a follow-up project based on a second-generation spectrometer with ultra-high energy resolution, permanently installed in ILL. It has been constructed in framework of an ANR grant; and will become operational in 2011.

  14. Modular total absorption spectrometer

    NASA Astrophysics Data System (ADS)

    Karny, M.; Rykaczewski, K. P.; Fijałkowska, A.; Rasco, B. C.; Wolińska-Cichocka, M.; Grzywacz, R. K.; Goetz, K. C.; Miller, D.; Zganjar, E. F.

    2016-11-01

    The design and performance of the Modular Total Absorption Spectrometer built and commissioned at the Oak Ridge National Laboratory is presented. The active volume of the detector is approximately one ton of NaI(Tl), which results in very high full γ energy peak efficiency of 71% at 6 MeV and nearly flat efficiency of around 81.5% for low energy γ-rays between 300 keV and 1 MeV. In addition to the high peak efficiency, the modular construction of the detector permits the use of a γ-coincidence technique in data analysis as well as β-delayed neutron observation.

  15. Cassini Plasma Spectrometer Investigation

    NASA Astrophysics Data System (ADS)

    Young, D. T.; Berthelier, J. J.; Blanc, M.; Burch, J. L.; Coates, A. J.; Goldstein, R.; Grande, M.; Hill, T. W.; Johnson, R. E.; Kelha, V.; McComas, D. J.; Sittler, E. C.; Svenes, K. R.; Szegö, K.; Tanskanen, P.; Ahola, K.; Anderson, D.; Bakshi, S.; Baragiola, R. A.; Barraclough, B. L.; Black, R. K.; Bolton, S.; Booker, T.; Bowman, R.; Casey, P.; Crary, F. J.; Delapp, D.; Dirks, G.; Eaker, N.; Funsten, H.; Furman, J. D.; Gosling, J. T.; Hannula, H.; Holmlund, C.; Huomo, H.; Illiano, J. M.; Jensen, P.; Johnson, M. A.; Linder, D. R.; Luntama, T.; Maurice, S.; McCabe, K. P.; Mursula, K.; Narheim, B. T.; Nordholt, J. E.; Preece, A.; Rudzki, J.; Ruitberg, A.; Smith, K.; Szalai, S.; Thomsen, M. F.; Viherkanto, K.; Vilppola, J.; Vollmer, T.; Wahl, T. E.; Wüest, M.; Ylikorpi, T.; Zinsmeyer, C.

    2004-09-01

    The Cassini Plasma Spectrometer (CAPS) will make comprehensive three-dimensional mass-resolved measurements of the full variety of plasma phenomena found in Saturn’s magnetosphere. Our fundamental scientific goals are to understand the nature of saturnian plasmas primarily their sources of ionization, and the means by which they are accelerated, transported, and lost. In so doing the CAPS investigation will contribute to understanding Saturn’s magnetosphere and its complex interactions with Titan, the icy satellites and rings, Saturn’s ionosphere and aurora, and the solar wind. Our design approach meets these goals by emphasizing two complementary types of measurements: high-time resolution velocity distributions of electrons and all major ion species; and lower-time resolution, high-mass resolution spectra of all ion species. The CAPS instrument is made up of three sensors: the Electron Spectrometer (ELS), the Ion Beam Spectrometer (IBS), and the Ion Mass Spectrometer (IMS). The ELS measures the velocity distribution of electrons from 0.6 eV to 28,250 keV, a range that permits coverage of thermal electrons found at Titan and near the ring plane as well as more energetic trapped electrons and auroral particles. The IBS measures ion velocity distributions with very high angular and energy resolution from 1 eV to 49,800 keV. It is specially designed to measure sharply defined ion beams expected in the solar wind at 9.5 AU, highly directional rammed ion fluxes encountered in Titan’s ionosphere, and anticipated field-aligned auroral fluxes. The IMS is designed to measure the composition of hot, diffuse magnetospheric plasmas and low-concentration ion species 1 eV to 50,280 eV with an atomic resolution M/ΔM ˜70 and, for certain molecules, (such asN 2 + and CO+), effective resolution as high as ˜2500. The three sensors are mounted on a motor-driven actuator that rotates the entire instrument over approximately one-half of the sky every 3 min.

  16. Gas Chromatic Mass Spectrometer

    NASA Technical Reports Server (NTRS)

    Wey, Chowen

    1995-01-01

    Gas chromatograph/mass spectrometer (GC/MS) used to measure and identify combustion species present in trace concentration. Advanced extractive diagnostic method measures to parts per billion (PPB), as well as differentiates between different types of hydrocarbons. Applicable for petrochemical, waste incinerator, diesel transporation, and electric utility companies in accurately monitoring types of hydrocarbon emissions generated by fuel combustion, in order to meet stricter environmental requirements. Other potential applications include manufacturing processes requiring precise detection of toxic gaseous chemicals, biomedical applications requiring precise identification of accumulative gaseous species, and gas utility operations requiring high-sensitivity leak detection.

  17. Radiofrequency Spectroscopy and Thermodynamics of Fermi Gases in the 2D to Quasi-2D Dimensional Crossover

    NASA Astrophysics Data System (ADS)

    Cheng, Chingyun; Kangara, Jayampathi; Arakelyan, Ilya; Thomas, John

    2016-05-01

    We tune the dimensionality of a strongly interacting degenerate 6 Li Fermi gas from 2D to quasi-2D, by adjusting the radial confinement of pancake-shaped clouds to control the radial chemical potential. In the 2D regime with weak radial confinement, the measured pair binding energies are in agreement with 2D-BCS mean field theory, which predicts dimer pairing energies in the many-body regime. In the qausi-2D regime obtained with increased radial confinement, the measured pairing energy deviates significantly from 2D-BCS theory. In contrast to the pairing energy, the measured radii of the cloud profiles are not fit by 2D-BCS theory in either the 2D or quasi-2D regimes, but are fit in both regimes by a beyond mean field polaron-model of the free energy. Supported by DOE, ARO, NSF, and AFOSR.

  18. Ultra-Wideband Optical Modulation Spectrometer (OMS) Development

    NASA Technical Reports Server (NTRS)

    Gardner, Jonathan (Technical Monitor); Tolls, Volker

    2004-01-01

    The optical modulation spectrometer (OMS) is a novel, highly efficient, low mass backend for heterodyne receiver systems. Current and future heterodyne receiver systems operating at frequencies up to a few THz require broadband spectrometer backends to achieve spectral resolutions of R approximately 10(exp 5) to 10(exp 6) to carry out many important astronomical investigations. Among these are observations of broad emission and absorption lines from extra-galactic objects at high redshifts, spectral line surveys, and observations of planetary atmospheres. Many of these lines are pressure or velocity broadened with either large half-widths or line wings extending over several GHz. Current backend systems can cover the needed bandwidth only by combining the output of several spectrometers, each with typically up to 1 GHz bandwidth, or by combining several frequency-shifted spectra taken with a single spectrometer. An ultra-wideband optical modulation spectrometer with 10 - 40 GHz bandwidth will enable broadband ob- servations without the limitations and disadvantages of hybrid spectrometers. Spectrometers like the OMS will be important for both ground-based observatories and future space missions like the Single Aperture Far-Infrared Telescope (SAFIR) which might carry IR/submm array heterodyne receiver systems requiring a spectrometer for each array pixel. Small size, low mass and small power consumption are extremely important for space missions. This report summarizes the specifications developed for the OMS and lists already identified commercial parts. The report starts with a review of the principle of operation, then describes the most important components and their specifications which were derived from theory, and finishes with a conclusion and outlook.

  19. Fourier transform two-dimensional electronic-vibrational spectroscopy using an octave-spanning mid-IR probe.

    PubMed

    Gaynor, James D; Courtney, Trevor L; Balasubramanian, Madhumitha; Khalil, Munira

    2016-06-15

    The development of coherent Fourier transform two-dimensional electronic-vibrational (2D EV) spectroscopy with acousto-optic pulse-shaper-generated near-UV pump pulses and an octave-spanning broadband mid-IR probe pulse is detailed. A 2D EV spectrum of a silicon wafer demonstrates the full experimental capability of this experiment, and a 2D EV spectrum of dissolved hexacyanoferrate establishes the viability of our 2D EV experiment for studying condensed phase molecular ensembles.

  20. 2D discrete Fourier transform on sliding windows.

    PubMed

    Park, Chun-Su

    2015-03-01

    Discrete Fourier transform (DFT) is the most widely used method for determining the frequency spectra of digital signals. In this paper, a 2D sliding DFT (2D SDFT) algorithm is proposed for fast implementation of the DFT on 2D sliding windows. The proposed 2D SDFT algorithm directly computes the DFT bins of the current window using the precalculated bins of the previous window. Since the proposed algorithm is designed to accelerate the sliding transform process of a 2D input signal, it can be directly applied to computer vision and image processing applications. The theoretical analysis shows that the computational requirement of the proposed 2D SDFT algorithm is the lowest among existing 2D DFT algorithms. Moreover, the output of the 2D SDFT is mathematically equivalent to that of the traditional DFT at all pixel positions.

  1. Resonant ultrasound spectrometer

    DOEpatents

    Migliori, Albert; Visscher, William M.; Fisk, Zachary

    1990-01-01

    An ultrasound resonant spectrometer determines the resonant frequency spectrum of a rectangular parallelepiped sample of a high dissipation material over an expected resonant response frequency range. A sample holder structure grips corners of the sample between piezoelectric drive and receive transducers. Each transducer is mounted on a membrane for only weakly coupling the transducer to the holder structure and operatively contacts a material effective to remove system resonant responses at the transducer from the expected response range. i.e., either a material such as diamond to move the response frequencies above the range or a damping powder to preclude response within the range. A square-law detector amplifier receives the response signal and retransmits the signal on an isolated shield of connecting cabling to remove cabling capacitive effects. The amplifier also provides a substantially frequency independently voltage divider with the receive transducer. The spectrometer is extremely sensitive to enable low amplitude resonance to be detected for use in calculating the elastic constants of the high dissipation sample.

  2. The Athena Raman Spectrometer

    NASA Technical Reports Server (NTRS)

    Wang, Alian; Haskin, Larry A.; Jolliff, Bradley; Wdowiak, Tom; Agresti, David; Lane, Arthur L.

    2000-01-01

    Raman spectroscopy provides a powerful tool for in situ mineralogy, petrology, and detection of water and carbon. The Athena Raman spectrometer is a microbeam instrument intended for close-up analyses of targets (rock or soils) selected by the Athena Pancam and Mini-TES. It will take 100 Raman spectra along a linear traverse of approximately one centimeter (point-counting procedure) in one to four hours during the Mars' night. From these spectra, the following information about the target will extracted: (1) the identities of major, minor, and trace mineral phases, organic species (e.g., PAH or kerogen-like polymers), reduced inorganic carbon, and water-bearing phases; (2) chemical features (e.g. Mg/Fe ratio) of major minerals; and (3) rock textural features (e.g., mineral clusters, amygdular filling and veins). Part of the Athena payload, the miniaturized Raman spectrometer has been under development in a highly interactive collaboration of a science team at Washington University and the University of Alabama at Birmingham, and an engineering team at the Jet Propulsion Laboratory. The development has completed the brassboard stage and has produced the design for the engineering model.

  3. MAGNUM2D. Radionuclide Transport Porous Media

    SciTech Connect

    Langford, D.W.; Baca, R.G.

    1989-03-01

    MAGNUM2D was developed to analyze thermally driven fluid motion in the deep basalts below the Paco Basin at the Westinghouse Hanford Site. Has been used in the Basalt Waste Isolation Project to simulate nonisothermal groundwater flow in a heterogeneous anisotropic medium and heat transport in a water/rock system near a high level nuclear waste repository. Allows three representations of the hydrogeologic system: an equivalent porous continuum, a system of discrete, unfilled, and interconnecting fractures separated by impervious rock mass, and a low permeability porous continuum with several discrete, unfilled fractures traversing the medium. The calculations assume local thermodynamic equilibrium between the rock and groundwater, nonisothermal Darcian flow in the continuum portions of the rock, and nonisothermal Poiseuille flow in discrete unfilled fractures. In addition, the code accounts for thermal loading within the elements, zero normal gradient and fixed boundary conditions for both temperature and hydraulic head, and simulation of the temperature and flow independently. The Q2DGEOM preprocessor was developed to generate, modify, plot and verify quadratic two dimensional finite element geometries. The BCGEN preprocessor generates the boundary conditions for head and temperature and ICGEN generates the initial conditions. The GRIDDER postprocessor interpolates nonregularly spaced nodal flow and temperature data onto a regular rectangular grid. CONTOUR plots and labels contour lines for a function of two variables and PARAM plots cross sections and time histories for a function of time and one or two spatial variables. NPRINT generates data tables that display the data along horizontal or vertical cross sections. VELPLT differentiates the hydraulic head and buoyancy data and plots the velocity vectors. The PATH postprocessor plots flow paths and computes the corresponding travel times.

  4. MAGNUM2D. Radionuclide Transport Porous Media

    SciTech Connect

    Langford, D.W.; Baca, R.G.

    1988-08-01

    MAGNUM2D was developed to analyze thermally driven fluid motion in the deep basalts below the Paco Basin at the Westinghouse Hanford Site. Has been used in the Basalt Waste Isolation Project to simulate nonisothermal groundwater flow in a heterogeneous anisotropic medium and heat transport in a water/rock system near a high level nuclear waste repository. Allows three representations of the hydrogeologic system: an equivalent porous continuum, a system of discrete, unfilled, and interconnecting fractures separated by impervious rock mass, and a low permeability porous continuum with several discrete, unfilled fractures traversing the medium. The calculation assumes local thermodynamic equilibrium between the rock and groundwater, nonisothermal Darcian flow in the continuum portions of the rock, and nonisothermal Poiseuille flow in discrete unfilled fractures. In addition, the code accounts for thermal loading within the elements, zero normal gradient and fixed boundary conditions for both temperature and hydraulic head, and simulation of the temperature and flow independently. The Q2DGEOM preprocessor was developed to generate, modify, plot and verify quadratic two dimensional finite element geometries. The BCGEN preprocessor generates the boundary conditions for head and temperature and ICGEN generates the initial conditions. The GRIDDER postprocessor interpolates nonregularly spaced nodal flow and temperature data onto a regular rectangular grid. CONTOUR plots and labels contour lines for a function of two variables and PARAM plots cross sections and time histories for a function of time and one or two spatial variables. NPRINT generates data tables that display the data along horizontal or vertical cross sections. VELPLT differentiates the hydraulic head and buoyancy data and plots the velocity vectors. The PATH postprocessor plots flow paths and computes the corresponding travel times.

  5. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J. O.; Sanford, Larry

    1996-07-15

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  6. MAZE96. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Sanford, L.; Hallquist, J.O.

    1992-02-24

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  7. NIKE2D96. Static & Dynamic Response of 2D Solids

    SciTech Connect

    Raboin, P.; Engelmann, B.; Halquist, J.O.

    1992-01-24

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surface contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.

  8. Silicene, a promising new 2D material

    NASA Astrophysics Data System (ADS)

    Oughaddou, Hamid; Enriquez, Hanna; Tchalala, Mohammed Rachid; Yildirim, Handan; Mayne, Andrew J.; Bendounan, Azzedine; Dujardin, Gérald; Ait Ali, Mustapha; Kara, Abdelkader

    2015-02-01

    Silicene is emerging as a two-dimensional material with very attractive electronic properties for a wide range of applications; it is a particularly promising material for nano-electronics in silicon-based technology. Over the last decade, the existence and stability of silicene has been the subject of much debate. Theoretical studies were the first to predict a puckered honeycomb structure with electronic properties resembling those of graphene. Though these studies were for free-standing silicene, experimental fabrication of silicene has been achieved so far only through epitaxial growth on crystalline surfaces. Indeed, it was only in 2010 that researchers presented the first experimental evidence of the formation of silicene on Ag(1 1 0) and Ag(1 1 1), which has launched silicene in a similar way to graphene. This very active field has naturally led to the recent growth of silicene on Ir(1 1 1), ZrB2(0 0 0 1) and Au(1 1 0) substrates. However, the electronic properties of epitaxially grown silicene on metal surfaces are influenced by the strong silicene-metal interactions. This has prompted experimental studies of the growth of multi-layer silicene, though the nature of its "silicene" structure remains questionable. Of course, like graphene, synthesizing free-standing silicene represents the ultimate challenge. A first step towards this has been reported recently through chemical exfoliation from calcium disilicide (CaSi2). In this review, we discuss the experimental and theoretical studies of silicene performed to date. Special attention is given to different experimental studies of the electronic properties of silicene on metal substrates. New avenues for the growth of silicene on other substrates with different chemical characteristics are presented along with foreseeable applications such as nano-devices and novel batteries.

  9. Spatial heterodyne spectrometer for FLEX

    NASA Astrophysics Data System (ADS)

    Scott, Alan; Zheng, Sheng-Hai; Brown, Stephen; Bell, Andrew

    2007-10-01

    A spatial heterodyne spectrometer (SHS) has significant advantages for high spectral resolution imaging over narrow pre-selected bands compared to traditional solutions. Given comparable optical étendue at R~6500, a field-widened SHS will have a throughput-resolution product ~170 x larger than an air-spaced etalon spectrometer, and ~1000 x larger than a standard grating spectrometer. The monolithic glass Michelson design and lack of moving parts allows maximum stability of spectral calibration over the mission life. For these reasons, SHS offers considerable advantages for the core spectrometer instrument in the European Space Agency's (ESA) Fluorescence Explorer (FLEX) mission.

  10. Particle Spectrometers for FRIB

    NASA Astrophysics Data System (ADS)

    Amthor, A. M.

    2014-09-01

    FRIB promises to dramatically expand the variety of nuclear systems available for direct experimental study by providing rates of many rare isotopes orders of magnitude higher than those currently available. A new generation of experimental systems, including new particle spectrometers will be critical to our ability to take full advantage of the scientific opportunities offered by FRIB. The High-Rigidity Spectrometer (HRS) will allow for experiments with the most neutron-rich and short-lived isotopes produced by in-flight fragmentation at FRIB. The bending capability of the HRS (8 Tm) matches to the rigidity for which rare isotopes are produced at the highest intensity in the FRIB fragment separator. The experimental program will be focused on nuclear structure and astrophysics, and allow for the use of other cutting-edge detection systems for gamma, neutron, and charged-particle detection. Stopped and reaccelerated beam studies will be an important compliment to in-flight techniques at FRIB, providing world-unique, high quality, intense rare isotope beams at low energies up to and beyond the Coulomb barrier--with the completion of ReA12--and serving many of the science goals of the broader facility, from nuclear structure and astrophysics to applications. Two specialized recoil spectrometers are being developed for studies with reaccelerated beams. SECAR, the Separator for Capture Reactions, will be built following ReA3, coupled to a windowless gas jet target, JENSA, and will focus on radiative capture reactions for astrophysics, particularly those needed to improve our understanding of novae and X-ray bursts. A recoil separator following ReA12 is proposed to address a variety of physics cases based on fusion-evaporation, Coulomb excitation, transfer, and deep-inelastic reactions by providing a large angular, momentum and charge state acceptance; a high mass resolving power; and the flexibility to couple to a variety of auxiliary detector systems. Two designs

  11. The Dawn Mapping Spectrometer: A Virtis-m Heritage

    NASA Astrophysics Data System (ADS)

    Coradini, A.; de Sanctis, M. C.; Capaccioni, F.; Suetta, E.; Barucci, M. A.; Drossart, P.; Jaumann, R.; McCord, T.; Russell, C. T.; Dawn Team

    The Dawn mapping spectrometer (MS) is a rebuild of the VIRTIS mapping spectrom- eter on board the ESA Rosetta mission with an operational duration of more than 2 years and flight time of more than 13 years. VIRTIS is composed of two subsystems: VIRTIS-Mapper (-M) and VIRTIS-High- resolution (-H). -M is characterised by a single optical head consisting of a Shafer telescope combined with an Offner imaging spectrometer and by two bidimensional FPAs: the VIS (0.25-1 µm) and IR (0.95-5 µm). -H is a high-resolution infrared cross-dispersed spectrometer using a prism and a grating. The 2-5 µm spectrum is dispersed in 9 orders on a focal-plane detector ma- trix. The DAWN MS spectrometer will be using only the - M channel of VIRTIS. This will permit a great mass reduction. The design uses a dual channel optical and focal design with mapping ability to 5 µm. The spectrometer consists of only three modules: optical system, 5.0 kg mass; proximity electronics, 3.0 kg and 5 W; cryocooler includ- ing driving electronics, 1.3 kg and 14 W. A 5.0 kg mechanical and thermal mounting, including the cover mechanism for the optics, accommodates the spectrometer subsys- tems. The optical system, which includes foreoptics, dispersive element, filters, focal plane assemblies as well as the cryocooler and proximity electronics is a complete re-build of the VIRTIS-M instrument. As -M, MS does not use beam-splitters. Two different groove densities are ruled on a single grating. The central part of the grating (about 30% of the pupil) is ruled with a higher groove density, which generates the higher spectral resolution needed in the visible channel. The infrared channel utilizes the outer 70% of the grating, which is ruled with a lower dual-shape groove density. The larger collecting area in the IR compensates for the lower solar irradiance in this region. The visible detector array is based on the ATMEL (former Thomson-CSF) type TH 7896 CCD detector. The IR detector used in the MS is

  12. Thermoluminescence emission spectrometer.

    PubMed

    Prescott, J R; Fox, P J; Akber, R A; Jensen, H E

    1988-08-15

    A sensitive thermoluminescence (TL) emission spectrometer based on Fourier transform spectroscopy is described. It employs a modified scanning Twyman-Green interferometer with photomultiplier detection in a photon-counting mode. The etendue is 180pi mm(2), and it covers the 350-600-nm wavelength range. The output can be displayed either as a 3-D isometric plot of intensity vs temperature and wavelength, as a contour diagram, or as a conventional TL glow curve of intensity vs temperature. It is sufficiently sensitive to record thermoluminescence spectra of dosimeter phosphors and minerals for thermoluminescence dating at levels corresponding to those found during actual use as radiation monitors or in dating. Examples of actual spectra are given.

  13. Photo ion spectrometer

    DOEpatents

    Gruen, D.M.; Young, C.E.; Pellin, M.J.

    1989-12-26

    A charged particle spectrometer is described for performing ultrasensitive quantitative analysis of selected atomic components removed from a sample. Significant improvements in performing energy and angular refocusing spectroscopy are accomplished by means of a two dimensional structure for generating predetermined electromagnetic field boundary conditions. Both resonance and non-resonance ionization of selected neutral atomic components allow accumulation of increased chemical information. A multiplexed operation between a SIMS mode and a neutral atomic component ionization mode with EARTOF analysis enables comparison of chemical information from secondary ions and neutral atomic components removed from the sample. An electronic system is described for switching high level signals, such as SIMS signals, directly to a transient recorder and through a charge amplifier to the transient recorder for a low level signal pulse counting mode, such as for a neutral atomic component ionization mode. 12 figs.

  14. Photo ion spectrometer

    DOEpatents

    Gruen, Dieter M.; Young, Charles E.; Pellin, Michael J.

    1989-01-01

    A charged particle spectrometer for performing ultrasensitive quantitative analysis of selected atomic components removed from a sample. Significant improvements in performing energy and angular refocusing spectroscopy are accomplished by means of a two dimensional structure for generating predetermined electromagnetic field boundary conditions. Both resonance and non-resonance ionization of selected neutral atomic components allow accumulation of increased chemical information. A multiplexed operation between a SIMS mode and a neutral atomic component ionization mode with EARTOF analysis enables comparison of chemical information from secondary ions and neutral atomic components removed from the sample. An electronic system is described for switching high level signals, such as SIMS signals, directly to a transient recorder and through a charge amplifier to the transient recorder for a low level signal pulse counting mode, such as for a neutral atomic component ionization mode.

  15. Bolometers as particle spectrometers

    NASA Astrophysics Data System (ADS)

    Stroke, H. H.; Artzner, G.; Coron, N.; Dambier, G.; Hansen, P. G.

    1986-02-01

    A spectrometer based on low-temperature calorimetry has been under development since 1983. The present detector, capable of recording individual alpha and beta particles and X-ray photons, is based on a composite diamond-germanium bolometer. The advantage of a composite bolometer is that it separates the absorption and detection functions. Diamond, as an absorber, is of particular advantage because of its low heat capacity and high thermal diffusivity. The goal is a theoretical energy resolution of a few eV at 0.1 K. Initial experiments at 1.3 K and 0.9 K, which give resolutions in the keV range, are still noise-limited. High-resolution applications, such as in X-ray astronomy and nuclear physics (in particular, neutron mass measurements) are foreseen.

  16. 2D imaging and 3D sensing data acquisition and mutual registration for painting conservation

    NASA Astrophysics Data System (ADS)

    Fontana, Raffaella; Gambino, Maria Chiara; Greco, Marinella; Marras, Luciano; Pampaloni, Enrico M.; Pelagotti, Anna; Pezzati, Luca; Poggi, Pasquale

    2004-12-01

    We describe the application of 2D and 3D data acquisition and mutual registration to the conservation of paintings. RGB color image acquisition, IR and UV fluorescence imaging, together with the more recent hyperspectral imaging (32 bands) are among the most useful techniques in this field. They generally are meant to provide information on the painting materials, on the employed techniques and on the object state of conservation. However, only when the various images are perfectly registered on each other and on the 3D model, no ambiguity is possible and safe conclusions may be drawn. We present the integration of 2D and 3D measurements carried out on two different paintings: "Madonna of the Yarnwinder" by Leonardo da Vinci, and "Portrait of Lionello d'Este", by Pisanello, both painted in the XV century.

  17. 2D imaging and 3D sensing data acquisition and mutual registration for painting conservation

    NASA Astrophysics Data System (ADS)

    Fontana, Raffaella; Gambino, Maria Chiara; Greco, Marinella; Marras, Luciano; Pampaloni, Enrico M.; Pelagotti, Anna; Pezzati, Luca; Poggi, Pasquale

    2005-01-01

    We describe the application of 2D and 3D data acquisition and mutual registration to the conservation of paintings. RGB color image acquisition, IR and UV fluorescence imaging, together with the more recent hyperspectral imaging (32 bands) are among the most useful techniques in this field. They generally are meant to provide information on the painting materials, on the employed techniques and on the object state of conservation. However, only when the various images are perfectly registered on each other and on the 3D model, no ambiguity is possible and safe conclusions may be drawn. We present the integration of 2D and 3D measurements carried out on two different paintings: "Madonna of the Yarnwinder" by Leonardo da Vinci, and "Portrait of Lionello d'Este", by Pisanello, both painted in the XV century.

  18. Atmospheric Entry Experiments at IRS

    NASA Astrophysics Data System (ADS)

    Auweter-Kurtz, M.; Endlich, P.; Herdrich, G.; Kurtz, H.; Laux, T.; Löhle, S.; Nazina, N.; Pidan, S.

    2002-01-01

    Entering the atmosphere of celestial bodies, spacecrafts encounter gases at velocities of several km/s, thereby being subjected to great heat loads. The thermal protection systems and the environment (plasma) have to be investigated by means of computational and ground facility based simulations. For more than a decade, plasma wind tunnels at IRS have been used for the investigation of TPS materials. Nevertheless, ground tests and computer simulations cannot re- place space flights completely. Particularly, entry mission phases encounter challenging problems, such as hypersonic aerothermodynamics. Concerning the TPS, radiation-cooled materials used for reuseable spacecrafts and ablator tech- nologies are of importance. Besides the mentioned technologies, there is the goal to manage guidance navigation, con- trol, landing technology and inflatable technologies such as ballutes that aim to keep vehicles in the atmosphere without landing. The requirement to save mass and energy for planned interplanetary missions such as Mars Society Balloon Mission, Mars Sample Return Mission, Mars Express or Venus Sample Return mission led to the need for manoeuvres like aerocapture, aero-breaking and hyperbolic entries. All three are characterized by very high kinetic vehicle energies to be dissipated by the manoeuvre. In this field flight data are rare. The importance of these manoeuvres and the need to increase the knowledge of required TPS designs and behavior during such mission phases point out the need of flight experiments. As result of the experience within the plasma diagnostic tool development and the plasma wind tunnel data base, flight experiments like the PYrometric RE-entry EXperiment PYREX were developed, fully qualified and successfully flown. Flight experiments such as the entry spectrometer RESPECT and PYREX on HOPE-X are in the conceptual phase. To increase knowledge in the scope of atmospheric manoeuvres and entries, data bases have to be created combining both

  19. Glucose determination with fiber optic spectrometers

    NASA Astrophysics Data System (ADS)

    Starke, Eva; Kemper, Ulf; Barschdorff, Dieter

    1999-05-01

    Noninvasive blood glucose monitoring is the aim of research activities concerning the detection of small glucose concentrations dissolved in water and blood plasma. One approach for these measurements is the exploitation of absorption bands in the near infrared. However, the strong absorption of water represents a major difficulty. Transmission measurements of glucose dissolved in water and in blood plasma in the spectral region around 1600 nm with one- beam spectrometers and a FT-IR spectrometer are discussed. The evaluation of the data is carried out using a two-layer Lambert-Beer model and neural networks. In order to reduce the dimensions of a potential measuring device, an integrated acousto-optic tunable filter (AOTF) with an Erbium doped fiber amplifier as a radiation source is used. The fiber optic components are examined concerning their suitability. The smallest concentrations of glucose dissolved in water that can be separated are approximately 50 mg/dl. In the range of 50 mg/dl to 1000 mg/dl a correlation coefficient of 0.98 between real and estimated glucose concentrations is achieved using neural networks. In blood plasma so far glucose concentrations of about 100 mg/dl can be distinguished with good accuracy.

  20. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6*15 and *35 Genotyping

    PubMed Central

    Riffel, Amanda K.; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C.; Leeder, J. Steven; Rosenblatt, Kevin P.; Gaedigk, Andrea

    2016-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6*15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6*15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6*35) which is also located in exon 1. Although alternative CYP2D6*15 and *35 assays resolved the issue, we discovered a novel CYP2D6*15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6*15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6*43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer and/or probe regions can impact

  1. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6 (*) 15 and (*) 35 Genotyping.

    PubMed

    Riffel, Amanda K; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C; Leeder, J Steven; Rosenblatt, Kevin P; Gaedigk, Andrea

    2015-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6 (*) 15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6 (*) 15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6 (*) 35) which is also located in exon 1. Although alternative CYP2D6 (*) 15 and (*) 35 assays resolved the issue, we discovered a novel CYP2D6 (*) 15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6 (*) 15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6 (*) 43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer

  2. IR Gain Monitor

    NASA Astrophysics Data System (ADS)

    Hilbert, Bryan

    2012-10-01

    The gain of the IR channel of WFC3 will be measured using a series of internal flat fields. Using knowledge gained from ground testing and previous cycles, we propose to collect flat field ramps which will be used to create photon transfer curves and give a measure of the gain.

  3. IR gain monitor

    NASA Astrophysics Data System (ADS)

    Hilbert, Bryan

    2013-10-01

    The gain of the IR channel of WFC3 will be measured using a series of internal flat fields. Using knowledge gained from ground testing and previous cycles, we propose to collect flat field ramps which will be used to create photon transfer curves and give a measure of the gain. This continues the strategy of last cycle's gain monitor, in proposal 13080.

  4. Lunar orbital mass spectrometer experiment

    NASA Technical Reports Server (NTRS)

    Lord, W. P.

    1971-01-01

    The design, development, manufacture, test and calibration of five lunar orbital mass spectrometers with the four associated ground support equipment test sets are discussed. A mass spectrometer was installed in the Apollo 15 and one in the Apollo 16 Scientific Instrument Module within the Service Module. The Apollo 15 mass spectrometer was operated with collection of 38 hours of mass spectra data during lunar orbit and 50 hours of data were collected during transearth coast. The Apollo 16 mass spectrometer was operated with collection of 76 hours of mass spectra data during lunar orbit. However, the Apollo 16 mass spectrometer was ejected into lunar orbit upon malfunction of spacecraft boom system just prior to transearth insection and no transearth coast data was possible.

  5. Residual lens effects in 2D mode of auto-stereoscopic lenticular-based switchable 2D/3D displays

    NASA Astrophysics Data System (ADS)

    Sluijter, M.; IJzerman, W. L.; de Boer, D. K. G.; de Zwart, S. T.

    2006-04-01

    We discuss residual lens effects in multi-view switchable auto-stereoscopic lenticular-based 2D/3D displays. With the introduction of a switchable lenticular, it is possible to switch between a 2D mode and a 3D mode. The 2D mode displays conventional content, whereas the 3D mode provides the sensation of depth to the viewer. The uniformity of a display in the 2D mode is quantified by the quality parameter modulation depth. In order to reduce the modulation depth in the 2D mode, birefringent lens plates are investigated analytically and numerically, by ray tracing. We can conclude that the modulation depth in the 2D mode can be substantially decreased by using birefringent lens plates with a perfect index match between lens material and lens plate. Birefringent lens plates do not disturb the 3D performance of a switchable 2D/3D display.

  6. Differential CYP 2D6 metabolism alters primaquine pharmacokinetics.

    PubMed

    Potter, Brittney M J; Xie, Lisa H; Vuong, Chau; Zhang, Jing; Zhang, Ping; Duan, Dehui; Luong, Thu-Lan T; Bandara Herath, H M T; Dhammika Nanayakkara, N P; Tekwani, Babu L; Walker, Larry A; Nolan, Christina K; Sciotti, Richard J; Zottig, Victor E; Smith, Philip L; Paris, Robert M; Read, Lisa T; Li, Qigui; Pybus, Brandon S; Sousa, Jason C; Reichard, Gregory A; Marcsisin, Sean R

    2015-04-01

    Primaquine (PQ) metabolism by the cytochrome P450 (CYP) 2D family of enzymes is required for antimalarial activity in both humans (2D6) and mice (2D). Human CYP 2D6 is highly polymorphic, and decreased CYP 2D6 enzyme activity has been linked to decreased PQ antimalarial activity. Despite the importance of CYP 2D metabolism in PQ efficacy, the exact role that these enzymes play in PQ metabolism and pharmacokinetics has not been extensively studied in vivo. In this study, a series of PQ pharmacokinetic experiments were conducted in mice with differential CYP 2D metabolism characteristics, including wild-type (WT), CYP 2D knockout (KO), and humanized CYP 2D6 (KO/knock-in [KO/KI]) mice. Plasma and liver pharmacokinetic profiles from a single PQ dose (20 mg/kg of body weight) differed significantly among the strains for PQ and carboxy-PQ. Additionally, due to the suspected role of phenolic metabolites in PQ efficacy, these were probed using reference standards. Levels of phenolic metabolites were highest in mice capable of metabolizing CYP 2D6 substrates (WT and KO/KI 2D6 mice). PQ phenolic metabolites were present in different quantities in the two strains, illustrating species-specific differences in PQ metabolism between the human and mouse enzymes. Taking the data together, this report furthers understanding of PQ pharmacokinetics in the context of differential CYP 2D metabolism and has important implications for PQ administration in humans with different levels of CYP 2D6 enzyme activity.

  7. Mechanical characterization of 2D, 2D stitched, and 3D braided/RTM materials

    NASA Technical Reports Server (NTRS)

    Deaton, Jerry W.; Kullerd, Susan M.; Portanova, Marc A.

    1993-01-01

    Braided composite materials have potential for application in aircraft structures. Fuselage frames, floor beams, wing spars, and stiffeners are examples where braided composites could find application if cost effective processing and damage tolerance requirements are met. Another important consideration for braided composites relates to their mechanical properties and how they compare to the properties of composites produced by other textile composite processes being proposed for these applications. Unfortunately, mechanical property data for braided composites do not appear extensively in the literature. Data are presented in this paper on the mechanical characterization of 2D triaxial braid, 2D triaxial braid plus stitching, and 3D (through-the-thickness) braid composite materials. The braided preforms all had the same graphite tow size and the same nominal braid architectures, (+/- 30 deg/0 deg), and were resin transfer molded (RTM) using the same mold for each of two different resin systems. Static data are presented for notched and unnotched tension, notched and unnotched compression, and compression after impact strengths at room temperature. In addition, some static results, after environmental conditioning, are included. Baseline tension and compression fatigue results are also presented, but only for the 3D braided composite material with one of the resin systems.

  8. Imaging Spectrometer for NEO Mission: Seta Instrument

    NASA Astrophysics Data System (ADS)

    de Sanctis, Maria Cristina; Filacchione, Gianrico; Capaccioni, Fabrizio; Ammannito, Eleonora; Capria, Maria Teresa; Coradini, Angioletta; Migliorini, Alessandra

    NASA, ESA and JAXA have proposed NEO Sample Return Missions to a Near Earth Object. With these missions we will have the opportunity to return for study in Earth-based laboratories a direct sample of the earliest record of how our solar system formed. The landing site and sample selection will be the most important scientific decision to make during the course of the mission. For this reason, powerful on-board remote sensing science instruments are needed to support the selection. Among these instruments, the imaging spectrometer is a key instrument, being capable to: • Characterize the mineralogical composition of the entire object; • Analyze the of the landing site and the returned sample in its own native environment; • Establish the broadest possible scientific context for the target objects within our current understanding of the solar system. Scientific Objectives: Aim of SETA experiment is to perform imaging spectroscopy in the spectral range 400-3300 nm for a complete mapping of the target with a spectral sampling of at least 20 nm and a spatial resolution of the order of meters. SETA shall be able to return a detailed determination of the mineralogical composition for the different geologic units as well as the overall surface mineralogy with a spatial resolution of the order of few meters. These compositional characterizations involve the analysis of spectral parameters that are diagnostic of the presence and composition of various mineral species and materials that may be present on the target body. Most of the interesting minerals have electronic and vibrational absorption features in their VIS-NIR reflectance spectra. Identification of these related mineral phases requires a moderate spectral resolution. The presence of organic materials may be more difficult to identify. The SETA design is based on a pushbroom imaging spectrometer operating in the 400-3300 nm range, using a 2D array HgCdTe detector. This kind of instrument allows a simultaneous

  9. The design and simulation of single detector MIR spectrometer based on MEMS scanning mirror

    NASA Astrophysics Data System (ADS)

    Zhang, Zhong-wei; Wen, Zhi-yu; Zeng, Tian-ling; Wei, Kang-lin

    2011-08-01

    Infrared (IR) spectrometers are very important optical equipments that can be used in industry, science, medicine, agriculture, biology and food safety etc., and the market is growing. However, most traditional IR spectrometers, such as Fourier transform spectrometer (FTS) that based on Michelson interferometer principle and scanning monochromator that based on grating scanning, are expensive, relative large volume, and stationary, which can't meet the requirements of specific application such as rapidity, special environment and some special samples. To overcome these drawbacks, innovatory technology-micro electro mechanical systems (MEMS) technology was used in micro IR spectrometers in the past few years. And several prototypes and products that based on several operational principles have been emerged. In this paper, a novel IR micro spectrometer which based on MEMS technology and used single element detector was presented over a wide spectral range (from 2500nm to 5000nm) in the mid infrared (MIR) wavelength regime, and the optical system of it was designed on the basis of traditional scanning monochromator principle. In the optical system, there is a highlighted characteristic that dual spherical focus mirror was used to focus the diffraction light of the diffraction grating, which improved the spectral resolution of the optical system. Finally, using Zemax optical software, three torsion angle locations were selected to simulate the optical system of the spectrometer with the slit's size 0.1mm×1mm. The simulation result indicated that in the whole wavelength range the spectral resolution of the optical system was less than 30nm, and a high accuracy MIR spectrometer with compact volume will be realized in future hopefully.

  10. Computational Screening of 2D Materials for Photocatalysis.

    PubMed

    Singh, Arunima K; Mathew, Kiran; Zhuang, Houlong L; Hennig, Richard G

    2015-03-19

    Two-dimensional (2D) materials exhibit a range of extraordinary electronic, optical, and mechanical properties different from their bulk counterparts with potential applications for 2D materials emerging in energy storage and conversion technologies. In this Perspective, we summarize the recent developments in the field of solar water splitting using 2D materials and review a computational screening approach to rapidly and efficiently discover more 2D materials that possess properties suitable for solar water splitting. Computational tools based on density-functional theory can predict the intrinsic properties of potential photocatalyst such as their electronic properties, optical absorbance, and solubility in aqueous solutions. Computational tools enable the exploration of possible routes to enhance the photocatalytic activity of 2D materials by use of mechanical strain, bias potential, doping, and pH. We discuss future research directions and needed method developments for the computational design and optimization of 2D materials for photocatalysis.

  11. Pulsed IR inductive lasers

    NASA Astrophysics Data System (ADS)

    Razhev, A. M.; Churkin, D. S.; Kargapol'tsev, E. S.

    2014-07-01

    Pulsed inductive discharge is a new alternative method of pumping active gas laser media. The work presents results of experimental investigations of near, mid, and far IR inductive gas lasers (H2, HF, and CO2) operating at different transitions of atoms and molecules with different mechanisms of formation of inversion population. The excitation systems of a pulsed inductive cylindrical discharge (pulsed inductively coupled plasma) and pulsed RF inductive discharge in the gases are developed. Various gas mixtures including H2, N2, He, Ne, F2, NF3, and SF6 are used. Characteristics of near IR H2 laser radiation are investigated. Maximal pulse peak power of 7 kW is achieved. The possibility of using a pulsed inductive discharge as a new method of pumping HF laser active medium is demonstrated. The pulsed RF inductive CO2 laser is created and a total efficiency of 17% is achieved.

  12. VEGAS: VErsatile GBT Astronomical Spectrometer

    NASA Astrophysics Data System (ADS)

    Bussa, Srikanth; VEGAS Development Team

    2012-01-01

    The National Science Foundation Advanced Technologies and Instrumentation (NSF-ATI) program is funding a new spectrometer backend for the Green Bank Telescope (GBT). This spectrometer is being built by the CICADA collaboration - collaboration between the National Radio Astronomy Observatory (NRAO) and the Center for Astronomy Signal Processing and Electronics Research (CASPER) at the University of California Berkeley.The backend is named as VErsatile GBT Astronomical Spectrometer (VEGAS) and will replace the capabilities of the existing spectrometers. This backend supports data processing from focal plane array systems. The spectrometer will be capable of processing up to 1.25 GHz bandwidth from 8 dual polarized beams or a bandwidth up to 10 GHz from a dual polarized beam.The spectrometer will be using 8-bit analog to digital converters (ADC), which gives a better dynamic range than existing GBT spectrometers. There will be 8 tunable digital sub-bands within the 1.25 GHz bandwidth, which will enhance the capability of simultaneous observation of multiple spectral transitions. The maximum spectral dump rate to disk will be about 0.5 msec. The vastly enhanced backend capabilities will support several science projects with the GBT. The projects include mapping temperature and density structure of molecular clouds; searches for organic molecules in the interstellar medium; determination of the fundamental constants of our evolving Universe; red-shifted spectral features from galaxies across cosmic time and survey for pulsars in the extreme gravitational environment of the Galactic Center.

  13. Neutron range spectrometer

    DOEpatents

    Manglos, Stephen H.

    1989-06-06

    A neutron range spectrometer and method for determining the neutron energy spectrum of a neutron emitting source are disclosed. Neutrons from the source are collimnated along a collimation axis and a position sensitive neutron counter is disposed in the path of the collimated neutron beam. The counter determines positions along the collimation axis of interactions between the neutrons in the neutron beam and a neutron-absorbing material in the counter. From the interaction positions, a computer analyzes the data and determines the neutron energy spectrum of the neutron beam. The counter is preferably shielded and a suitable neutron-absorbing material is He-3. The computer solves the following equation in the analysis: ##EQU1## where: N(x).DELTA.x=the number of neutron interactions measured between a position x and x+.DELTA.x, A.sub.i (E.sub.i).DELTA.E.sub.i =the number of incident neutrons with energy between E.sub.i and E.sub.i +.DELTA.E.sub.i, and C=C(E.sub.i)=N .sigma.(E.sub.i) where N=the number density of absorbing atoms in the position sensitive counter means and .sigma. (E.sub.i)=the average cross section of the absorbing interaction between E.sub.i and E.sub.i +.DELTA.E.sub.i.

  14. Photo ion spectrometer

    DOEpatents

    Gruen, Dieter M.; Young, Charles E.; Pellin, Michael J.

    1989-01-01

    A method and apparatus for extracting for quantitative analysis ions of selected atomic components of a sample. A lens system is configured to provide a slowly diminishing field region for a volume containing the selected atomic components, enabling accurate energy analysis of ions generated in the slowly diminishing field region. The lens system also enables focusing on a sample of a charged particle beam, such as an ion beam, along a path length perpendicular to the sample and extraction of the charged particles along a path length also perpendicular to the sample. Improvement of signal to noise ratio is achieved by laser excitation of ions to selected autoionization states before carrying out quantitative analysis. Accurate energy analysis of energetic charged particles is assured by using a preselected resistive thick film configuration disposed on an insulator substrate for generating predetermined electric field boundary conditions to achieve for analysis the required electric field potential. The spectrometer also is applicable in the fields of SIMS, ISS and electron spectroscopy.

  15. Photo ion spectrometer

    DOEpatents

    Gruen, D.M.; Young, C.E.; Pellin, M.J.

    1989-08-08

    A method and apparatus are described for extracting for quantitative analysis ions of selected atomic components of a sample. A lens system is configured to provide a slowly diminishing field region for a volume containing the selected atomic components, enabling accurate energy analysis of ions generated in the slowly diminishing field region. The lens system also enables focusing on a sample of a charged particle beam, such as an ion beam, along a path length perpendicular to the sample and extraction of the charged particles along a path length also perpendicular to the sample. Improvement of signal to noise ratio is achieved by laser excitation of ions to selected auto-ionization states before carrying out quantitative analysis. Accurate energy analysis of energetic charged particles is assured by using a preselected resistive thick film configuration disposed on an insulator substrate for generating predetermined electric field boundary conditions to achieve for analysis the required electric field potential. The spectrometer also is applicable in the fields of SIMS, ISS and electron spectroscopy. 8 figs.

  16. Quantum DOT IR Photodetectors

    DTIC Science & Technology

    2012-07-01

    optics to obtain multiple spectral images. A multi-wavelength IR imager has a vast number of applications such as target detection in highly...In this section, we discuss the various electrochromic materials, their properties , and the modeling results. 4.1 ROIC Design The high-level diagram...inter- continuum DWELL any optic dependin structure thickness potential F ELL Dete new class o een propos and transitio ELL) struc 5. DWELL st

  17. Transmission Grating Imaging Spectrometer for Magnetically Confined Fusion Plasmas

    NASA Astrophysics Data System (ADS)

    Blagojevic, B.; Stutman, D.; Vero, R.; Finkenthal, M.; Moos, H. W.

    2001-10-01

    The Johns Hopkins Plasma Spectroscopy Group is developing a transmission grating (TG) based imaging spectrometer for the soft and ultrasoft X-ray (USXR) ranges. The spectrometer will be integrated into a multi-purpose impurity diagnostic package for Magnetically Confined Fusion experiments, which will provide time and space resolved information about radiation losses, Zeff profiles and particle transport. The package will also include 2-D filtered USXR diode arrays and atomic physics and impurity transport computational capability. The spectrometer has a very simple layout, consisting of two collimating and space resolving slits, a TG and a 2-D imaging detector. As detector we are developing phosphor (P45) coated fiber optic plates with CCD and intensified CCD image readout. The performance of a test 5000 l/mm, 2:1 bar to open area ratio TG has been evaluated in the laboratory using a K-alpha Manson source and the emission from a Penning Discharge. The incident and diffracted photon flux was recorded in the 10-300 Å range with a gas flow proportional counter. The measurements show that spectral resolution and efficiency agree well with the predicted values. A device optimized for spectral resolution and higher order suppression will be tested on the CDX-U and NSTX tokamak at Princeton Plasma Physics Laboratory. Work supported by DoE grant No. DE-FG02-86ER52314ATDoE

  18. Synthetic Covalent and Non-Covalent 2D Materials.

    PubMed

    Boott, Charlotte E; Nazemi, Ali; Manners, Ian

    2015-11-16

    The creation of synthetic 2D materials represents an attractive challenge that is ultimately driven by their prospective uses in, for example, electronics, biomedicine, catalysis, sensing, and as membranes for separation and filtration. This Review illustrates some recent advances in this diverse field with a focus on covalent and non-covalent 2D polymers and frameworks, and self-assembled 2D materials derived from nanoparticles, homopolymers, and block copolymers.

  19. The VISTA IR camera

    NASA Astrophysics Data System (ADS)

    Dalton, Gavin B.; Caldwell, Martin; Ward, Kim; Whalley, Martin S.; Burke, Kevin; Lucas, John M.; Richards, Tony; Ferlet, Marc; Edeson, Ruben L.; Tye, Daniel; Shaughnessy, Bryan M.; Strachan, Mel; Atad-Ettedgui, Eli; Leclerc, Melanie R.; Gallie, Angus; Bezawada, Nagaraja N.; Clark, Paul; Bissonauth, Nirmal; Luke, Peter; Dipper, Nigel A.; Berry, Paul; Sutherland, Will; Emerson, Jim

    2004-09-01

    The VISTA IR Camera has now completed its detailed design phase and is on schedule for delivery to ESO"s Cerro Paranal Observatory in 2006. The camera consists of 16 Raytheon VIRGO 2048x2048 HgCdTe arrays in a sparse focal plane sampling a 1.65 degree field of view. A 1.4m diameter filter wheel provides slots for 7 distinct science filters, each comprising 16 individual filter panes. The camera also provides autoguiding and curvature sensing information for the VISTA telescope, and relies on tight tolerancing to meet the demanding requirements of the f/1 telescope design. The VISTA IR camera is unusual in that it contains no cold pupil-stop, but rather relies on a series of nested cold baffles to constrain the light reaching the focal plane to the science beam. In this paper we present a complete overview of the status of the final IR Camera design, its interaction with the VISTA telescope, and a summary of the predicted performance of the system.

  20. Method for calibrating mass spectrometers

    DOEpatents

    Anderson, Gordon A [Benton City, WA; Brands, Michael D [Richland, WA; Bruce, James E [Schwenksville, PA; Pasa-Tolic, Ljiljana [Richland, WA; Smith, Richard D [Richland, WA

    2002-12-24

    A method whereby a mass spectra generated by a mass spectrometer is calibrated by shifting the parameters used by the spectrometer to assign masses to the spectra in a manner which reconciles the signal of ions within the spectra having equal mass but differing charge states, or by reconciling ions having known differences in mass to relative values consistent with those known differences. In this manner, the mass spectrometer is calibrated without the need for standards while allowing the generation of a highly accurate mass spectra by the instrument.

  1. Multiple order common path spectrometer

    NASA Technical Reports Server (NTRS)

    Newbury, Amy B. (Inventor)

    2010-01-01

    The present invention relates to a dispersive spectrometer. The spectrometer allows detection of multiple orders of light on a single focal plane array by splitting the orders spatially using a dichroic assembly. A conventional dispersion mechanism such as a defraction grating disperses the light spectrally. As a result, multiple wavelength orders can be imaged on a single focal plane array of limited spectral extent, doubling (or more) the number of spectral channels as compared to a conventional spectrometer. In addition, this is achieved in a common path device.

  2. Epitaxial 2D SnSe2/ 2D WSe2 van der Waals Heterostructures.

    PubMed

    Aretouli, Kleopatra Emmanouil; Tsoutsou, Dimitra; Tsipas, Polychronis; Marquez-Velasco, Jose; Aminalragia Giamini, Sigiava; Kelaidis, Nicolaos; Psycharis, Vassilis; Dimoulas, Athanasios

    2016-09-07

    van der Waals heterostructures of 2D semiconductor materials can be used to realize a number of (opto)electronic devices including tunneling field effect devices (TFETs). It is shown in this work that high quality SnSe2/WSe2 vdW heterostructure can be grown by molecular beam epitaxy on AlN(0001)/Si(111) substrates using a Bi2Se3 buffer layer. A valence band offset of 0.8 eV matches the energy gap of SnSe2 in such a way that the VB edge of WSe2 and the CB edge of SnSe2 are lined up, making this materials combination suitable for (nearly) broken gap TFETs.

  3. Coastal Research Imaging Spectrometer

    NASA Technical Reports Server (NTRS)

    2002-01-01

    The Coastal Research Imaging Spectrometer (CRIS) is an airborne remote-sensing system designed specifically for research on the physical, chemical, and biological characteristics of coastal waters. The CRIS includes a visible-light hyperspectral imaging subsystem for measuring the color of water, which contains information on the biota, sediment, and nutrient contents of the water. The CRIS also includes an infrared imaging subsystem, which provides information on the temperature of the water. The combination of measurements enables investigation of biological effects of both natural and artificial flows of water from land into the ocean, including diffuse and point-source flows that may contain biological and/or chemical pollutants. Temperature is an important element of such measurements because temperature contrasts can often be used to distinguish among flows from different sources: for example, a sewage outflow could manifest itself in spectral images as a local high-temperature anomaly.anomaly. Both the visible and infrared subsystems scan in "pushbroom" mode: that is, an aircraft carrying the system moves along a ground track, the system is aimed downward, and image data are acquired in acrosstrack linear arrays of pixels. Both subsystems operate at a frame rate of 30 Hz. The infrared and visible-light optics are adjusted so that both subsystems are aimed at the same moving swath, which has across-track angular width of 15. Data from the infrared and visible imaging subsystems are stored in the same file along with aircraft-position data acquired by a Global Positioning System receiver. The combination of the three sets of data is used to construct infrared and hyperspectral maps of scanned areas shown.

  4. Circular photogalvanic effect caused by the transitions between edge and 2D states in a 2D topological insulator

    NASA Astrophysics Data System (ADS)

    Magarill, L. I.; Entin, M. V.

    2016-12-01

    The electron absorption and the edge photocurrent of a 2D topological insulator are studied for transitions between edge states to 2D states. The circular polarized light is found to produce the edge photocurrent, the direction of which is determined by light polarization and edge orientation. It is shown that the edge-state current is found to exceed the 2D current owing to the topological protection of the edge states.

  5. Alpha Magnetic Spectrometer (AMS) Overview

    NASA Video Gallery

    The Alpha Magnetic Spectrometer (AMS) is flying to the station on STS-134. The AMS experiment is a state-of-the-art particle physics detector being operated by an international team composed of 60 ...

  6. Fast-neutron spectrometer developments

    NASA Technical Reports Server (NTRS)

    Moler, R. B.; Zagotta, W. E.; Baker, S. I.

    1973-01-01

    Li6 sandwich-type neutron spectrometer is equipped with proportional counter for particle identification. System uses current-sensitive preamplifiers to minimize pile-up of gamma-ray and particle pulses.

  7. Rapid identification of Chinese Sauce liquor from different fermentation positions with FT-IR spectroscopy

    NASA Astrophysics Data System (ADS)

    Li, Changwen; Wei, Jiping; Zhou, Qun; Sun, Suqin

    2008-07-01

    FT-IR and two-dimensional correlation spectroscopy (2D-IR) technology were applied to discriminate Chinese Sauce liquor from different fermentation positions (top, middle and bottom of fermentation cellar) for the first time. The liquors at top, middle and bottom of fermentation cellar, possessed the characteristic peaks at 1731 cm -1, 1733 cm -1 and 1602 cm -1, respectively. In the 2D correlation infrared spectra, the differences were amplified. A strong auto-peak at 1725 cm -1 showed in the 2D spectra of the Top Liquor, which indicated that the liquor might contain some ester compounds. Different from Top Liquor, three auto-peaks at 1695, 1590 and 1480 cm -1 were identified in 2D spectra of Middle Liquor, which were the characteristic absorption of acid, lactate. In 2D spectra of Bottom Liquor, two auto-peaks at 1570 and 1485 cm -1 indicated that lactate was the major component. As a result, FT-IR and 2D-IR correlation spectra technology provided a rapid and effective method for the quality analysis of the Sauce liquor.

  8. The GRAVITY spectrometers: optical qualification

    NASA Astrophysics Data System (ADS)

    Yazici, Senol; Straubmeier, Christian; Wiest, Michael; Wank, Imke; Fischer, Sebastian; Horrobin, Matthew; Eisenhauer, Frank; Perrin, Guy; Perraut, Karine; Brandner, Wolfgang; Amorim, Antonio; Schöller, Markus; Eckart, Andreas

    2014-07-01

    GRAVITY1 is a 2nd generation Very Large Telescope Interferometer (VLTI) operated in the astronomical K-band. In the Beam Combiner Instrument2 (BCI) four Fiber Couplers3 (FC) will feed the light coming from each telescope into two fibers, a reference channel for the fringe tracking spectrometer4 (FT) and a science channel for the science spectrometer4 (SC). The differential Optical Path Difference (dOPD) between the two channels will be corrected using a novel metrology concept.5 The metrology laser will keep control of the dOPD of the two channels. It is injected into the spectrometers and detected at the telescope level. Piezo-actuated fiber stretchers correct the dOPD accordingly. Fiber-fed Integrated Optics6 (IO) combine coherently the light of all six baselines and feed both spectrometers. Assisted by Infrared Wavefront Sensors7 (IWS) at each Unit Telescope (UT) and correcting the path difference between the channels with an accuracy of up to 5 nm, GRAVITY will push the limits of astrometrical accuracy to the order of 10 μas and provide phase-referenced interferometric imaging with a resolution of 4 mas. The University of Cologne developed, constructed and tested both spectrometers of the camera system. Both units are designed for the near infrared (1.95 - 2.45 μm) and are operated in a cryogenic environment. The Fringe Tracker is optimized for highest transmission with fixed spectral resolution (R = 22) realized by a double-prism.8 The Science spectrometer is more diverse and allows to choose from three different spectral resolutions8 (R = [22, 500, 4000]), where the lowest resolution is achieved with a prism and the higher resolutions are realized with grisms. A Wollaston prism in each spectrometer allows for polarimetric splitting of the light. The goal for the spectrometers is to concentrate at least 90% of the ux in 2 × 2 pixel (36 × 36 μm2) for the Science channel and in 1 pixel (24 × 24 μm) in the Fringe Tracking channel. In Section 1, we present

  9. Current research activities and installation status of the X-ray imaging crystal spectrometer for KSTAR

    NASA Astrophysics Data System (ADS)

    Lee, S. G.; Bak, J. G.; Nam, U. W.; Moon, M. K.; Cheon, J. K.; Bitter, M.; Hill, K.

    2008-11-01

    An X-ray imaging crystal spectrometer (XICS) for KSTAR utilizing a four-segmented position-sensitive two dimensional (2D) multi-wire proportional counter and time-to-digital converter (TDC) based delay-line readout data acquisition system has been fabricated. The XICS provides spatially and temporally resolved measurements of the ion and electron temperatures, toroidal rotation velocity, impurity charge-state distributions, and ionization equilibrium. The four-segmented 2D detector with supporting electronics successfully demonstrated to improve the photon count-rate capability of the XICS system and a position resolution of the detector showed about 0.35 mm. A spectral resolution of the fabricated spectrometer has been measured using an X-ray tube before installation in the KSTAR tokamak. The current research activities and installation status of the spectrometer will be presented.

  10. Energy Efficiency of D2D Multi-User Cooperation.

    PubMed

    Zhang, Zufan; Wang, Lu; Zhang, Jie

    2017-03-28

    The Device-to-Device (D2D) communication system is an important part of heterogeneous networks. It has great potential to improve spectrum efficiency, throughput and energy efficiency cooperation of multiple D2D users with the advantage of direct communication. When cooperating, D2D users expend extraordinary energy to relay data to other D2D users. Hence, the remaining energy of D2D users determines the life of the system. This paper proposes a cooperation scheme for multiple D2D users who reuse the orthogonal spectrum and are interested in the same data by aiming to solve the energy problem of D2D users. Considering both energy availability and the Signal to Noise Ratio (SNR) of each D2D user, the Kuhn-Munkres algorithm is introduced in the cooperation scheme to solve relay selection problems. Thus, the cooperation issue is transformed into a maximum weighted matching (MWM) problem. In order to enhance energy efficiency without the deterioration of Quality of Service (QoS), the link outage probability is derived according to the Shannon Equation by considering the data rate and delay. The simulation studies the relationships among the number of cooperative users, the length of shared data, the number of data packets and energy efficiency.

  11. Integrating Mobile Multimedia into Textbooks: 2D Barcodes

    ERIC Educational Resources Information Center

    Uluyol, Celebi; Agca, R. Kagan

    2012-01-01

    The major goal of this study was to empirically compare text-plus-mobile phone learning using an integrated 2D barcode tag in a printed text with three other conditions described in multimedia learning theory. The method examined in the study involved modifications of the instructional material such that: a 2D barcode was used near the text, the…

  12. Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes.

    PubMed

    Byun, Jinwoo; Cho, Himchan; Wolf, Christoph; Jang, Mi; Sadhanala, Aditya; Friend, Richard H; Yang, Hoichang; Lee, Tae-Woo

    2016-09-01

    Efficient quasi-2D-structure perovskite light-emitting diodes (4.90 cd A(-1) ) are demonstrated by mixing a 3D-structured perovskite material (methyl ammonium lead bromide) and a 2D-structured perovskite material (phenylethyl ammonium lead bromide), which can be ascribed to better film uniformity, enhanced exciton confinement, and reduced trap density.

  13. Adaptation algorithms for 2-D feedforward neural networks.

    PubMed

    Kaczorek, T

    1995-01-01

    The generalized weight adaptation algorithms presented by J.G. Kuschewski et al. (1993) and by S.H. Zak and H.J. Sira-Ramirez (1990) are extended for 2-D madaline and 2-D two-layer feedforward neural nets (FNNs).

  14. Design of and data reduction from compact Thomson parabola spectrometers

    SciTech Connect

    Morrison, J. T.; Willis, C.; Freeman, R. R.; Van Woerkom, L.

    2011-03-15

    Thomson parabola spectrometers are used to characterize MeV ion beams produced in high intensity laser interactions. These spectrometers disperse multiple ion species according to their charge to mass ratio through the use of parallel electric and magnetic fields. Analytical solutions for ion deflection in electric and magnetic fields have been used to extract ion spectra with the assumption that fringing effects are negligible. Experimental space restrictions and dynamic range requirements necessitate designs that stress the analytical assumptions. Depending on design parameters, the error in the analytical assumption can be comparable to the energy resolution. Estimates are provided to approximate the error on the total ion deflection. A method for modeling ion trajectories including fringing effects is presented using software freely available or in common use. The magnetostatic fields are modeled in 3D, including material properties of nearby magnetic materials using RADIA. Electrostatic fields are modeled in 2D for a spectrometer implementing angled plates using the partial differential equation toolbox in MATLAB. Using these models to calculate the ion trajectory allows for analysis of a Thomson parabola spectrometer with an arbitrary field configuration.

  15. Fabrication of 2D nanosheet through self assembly behavior of sulfamethoxypyridazine inclusion complexes with α- and β-cyclodextrins.

    PubMed

    Rajendiran, N; Venkatesh, G; Mohandass, T

    2014-04-05

    A 2D nanosheet was fabricated through the supramolecular self assembly of sulfamethoxypyridazine (SMP) and β-cyclodextrin (β-CD) inclusion complexes. HRTEM image exhibited 2D nanosheet morphology with a length of 1200mm and the sheet thickness of 60mm. It is noted that the nanosheet did not form a single layer aggregation but a bulk aggregation of SMP/β-CD inclusion complex. The formation of this multilayer 2D nanosheet based on the self assembly of SMP/β-CD inclusion complexes is proposed by the topological transformation as well as molecular modeling calculations. But, nanorods are formed in SMP/α-CD inclusion complex indicated that the nature of the CD determined the shape of the self assembled supramolecular architecture. The formation of nanomaterial was characterized by using FT-IR, DSC, PXRD, (1)H NMR, absorption, fluorescence and lifetime measurements.

  16. A simplified concentration series to produce a pair of 2D asynchronous spectra based on the DAOSD approach

    NASA Astrophysics Data System (ADS)

    Kang, Xiaoyan; He, Anqi; Guo, Ran; Zhai, Yanjun; Xu, Yizhuang; Noda, Isao; Wu, Jinguang

    2016-11-01

    We propose a substantially simplified approach to construct a pair of 2D asynchronous spectra based on the DAOSD approach proposed in our previous papers. By using a new concentration series, only three 1D spectra are used to generate a pair of 2D correlation spectra together with two reference spectra. By using this method, the previous problem of labor intensive traditional DAOSD approach has been successfully addressed. We apply the new approach to characterize intermolecular interaction between acetonitrile and butanone dissolved in carbon tetrachloride. The existence of intermolecular interaction between the two solutes can be confirmed by the presence of a cross peak in the resultant 2D IR spectra. In addition, the absence of cross peak around (2254, 2292) in Ψbutanone provides another experimental evidence to reveal the intrinsic relationship between the Ctbnd N stretching band and an overtone band (δCH3+νC-C).

  17. IR Spot Weld Inspect

    SciTech Connect

    Chen, Jian; Feng, Zhili

    2014-01-01

    In automotive industry, destructive inspection of spot welds is still the mandatory quality assurance method due to the lack of efficient non-destructive evaluation (NDE) tools. However, it is costly and time-consuming. Recently at ORNL, a new NDE prototype system for spot weld inspection using infrared (IR) thermography has been developed to address this problem. This software contains all the key functions that ensure the NDE system to work properly: system input/output control, image acquisition, data analysis, weld quality database generation and weld quality prediction, etc.

  18. Regulation of ligands for the NKG2D activating receptor

    PubMed Central

    Raulet, David H.; Gasser, Stephan; Gowen, Benjamin G.; Deng, Weiwen; Jung, Heiyoun

    2014-01-01

    NKG2D is an activating receptor expressed by all NK cells and subsets of T cells. It serves as a major recognition receptor for detection and elimination of transformed and infected cells and participates in the genesis of several inflammatory diseases. The ligands for NKG2D are self-proteins that are induced by pathways that are active in certain pathophysiological states. NKG2D ligands are regulated transcriptionally, at the level of mRNA and protein stability, and by cleavage from the cell surface. In some cases, ligand induction can be attributed to pathways that are activated specifically in cancer cells or infected cells. We review the numerous pathways that have been implicated in the regulation of NKG2D ligands, discuss the pathologic states in which those pathways are likely to act, and attempt to synthesize the findings into general schemes of NKG2D ligand regulation in NK cell responses to cancer and infection. PMID:23298206

  19. 2D materials and van der Waals heterostructures.

    PubMed

    Novoselov, K S; Mishchenko, A; Carvalho, A; Castro Neto, A H

    2016-07-29

    The physics of two-dimensional (2D) materials and heterostructures based on such crystals has been developing extremely fast. With these new materials, truly 2D physics has begun to appear (for instance, the absence of long-range order, 2D excitons, commensurate-incommensurate transition, etc.). Novel heterostructure devices--such as tunneling transistors, resonant tunneling diodes, and light-emitting diodes--are also starting to emerge. Composed from individual 2D crystals, such devices use the properties of those materials to create functionalities that are not accessible in other heterostructures. Here we review the properties of novel 2D crystals and examine how their properties are used in new heterostructure devices.

  20. New generation transistor technologies enabled by 2D crystals

    NASA Astrophysics Data System (ADS)

    Jena, D.

    2013-05-01

    The discovery of graphene opened the door to 2D crystal materials. The lack of a bandgap in 2D graphene makes it unsuitable for electronic switching transistors in the conventional field-effect sense, though possible techniques exploiting the unique bandstructure and nanostructures are being explored. The transition metal dichalcogenides have 2D crystal semiconductors, which are well-suited for electronic switching. We experimentally demonstrate field effect transistors with current saturation and carrier inversion made from layered 2D crystal semiconductors such as MoS2, WS2, and the related family. We also evaluate the feasibility of such semiconducting 2D crystals for tunneling field effect transistors for low-power digital logic. The article summarizes the current state of new generation transistor technologies either proposed, or demonstrated, with a commentary on the challenges and prospects moving forward.

  1. Airborne astronomy with a 150 micrometer - 500 micrometer heterodyne spectrometer

    NASA Technical Reports Server (NTRS)

    Betz, A. L.

    1991-01-01

    This report summarizes work done under NASA Grant NAG2-254 awarded to the University of California. The project goal was to build a far-infrared heterodyne spectrometer for NASA's Kuiper Airborne Observatory (KAO), and to use this instrument to observe atomic and molecular spectral lines from the interstellar medium. This goal was successfully achieved; the spectrometer is now in routine use aboard the KAO. Detections of particular note have been the 370 micrometers line of neutral atomic carbon, the 158 micrometers transition of ionized carbon, many of the high-J rotational lines of 12CO and 13CO between J=9-8 and J=22-21, the 119 micron ground-state rotational line of OH, and the 219 micron ground-state rotational line of H2D(+). All of these lines were observed at spectral resolutions exceeding 1 part in 10(exp 6), thereby allowing accurate line shapes and Doppler velocities to be measured.

  2. The IRS-1 signaling system.

    PubMed

    White, M F

    1994-02-01

    IRS-1 is a principal substrate of the insulin receptor tyrosine kinase. It undergoes multi-site tyrosine phosphorylation and mediates the insulin signal by associating with various signaling molecules containing Src homology 2 domains. Interleukin-4 also stimulates IRS-1 phosphorylation, and it is suspected that a few more growth factors or cytokines will be added to form a select group of receptors that utilize the IRS-1 signaling pathway. More IRS-1-like adapter molecules, such as 4PS (IRS-2), may remain to be found.

  3. Dedicated spectrometers based on diffractive optics: design, modelling and evaluation

    NASA Astrophysics Data System (ADS)

    Løvhaugen, O.; Johansen, I.-R.; Bakke, K. A. H.; Fismen, B. G.; Nicolas, S.

    The described design of diffractive optical elements for low cost IR-spectrometers gives a built-in wavelength reference and allows 'spectral arithmetic' to be implemented in the optical performance of the DOE. The diffractive element combines the function of the lenses and the grating and eliminates the need for alignment of those components in the standard scanned grating spectrometer design. The element gives out a set of foci, each with one spectral component, which are scanned across a detector, thus relaxing the demands for scan angle control. It can thus be regarded as an alternative solution to a beam splitter and band pass filter instrument. Software tools have been designed to ease the adaptation of the design to different applications. To model the performance of the spectrometers we have implemented a scalar Rayleigh-Sommerfeldt diffraction model. The gold-coated elements are produced by injection moulding using a compact disc (CD) moulding technique and mould inlays mastered by e-beam lithography. The optimized selection of wavelength bands and the classification of the measured signal use a combination of principal component analysis and robust statistical methods. Typical applications will be material characterization of recycled plastics and gas monitoring. Spectrometers for two different applications have been built and tested. Comparisons between the design goals and the measured performance have been made and show good agreements.

  4. Estrogen-Induced Cholestasis Leads to Repressed CYP2D6 Expression in CYP2D6-Humanized Mice.

    PubMed

    Pan, Xian; Jeong, Hyunyoung

    2015-07-01

    Cholestasis activates bile acid receptor farnesoid X receptor (FXR) and subsequently enhances hepatic expression of small heterodimer partner (SHP). We previously demonstrated that SHP represses the transactivation of cytochrome P450 2D6 (CYP2D6) promoter by hepatocyte nuclear factor (HNF) 4α. In this study, we investigated the effects of estrogen-induced cholestasis on CYP2D6 expression. Estrogen-induced cholestasis occurs in subjects receiving estrogen for contraception or hormone replacement, or in susceptible women during pregnancy. In CYP2D6-humanized transgenic (Tg-CYP2D6) mice, cholestasis triggered by administration of 17α-ethinylestradiol (EE2) at a high dose led to 2- to 3-fold decreases in CYP2D6 expression. This was accompanied by increased hepatic SHP expression and subsequent decreases in the recruitment of HNF4α to CYP2D6 promoter. Interestingly, estrogen-induced cholestasis also led to increased recruitment of estrogen receptor (ER) α, but not that of FXR, to Shp promoter, suggesting a predominant role of ERα in transcriptional regulation of SHP in estrogen-induced cholestasis. EE2 at a low dose (that does not cause cholestasis) also increased SHP (by ∼ 50%) and decreased CYP2D6 expression (by 1.5-fold) in Tg-CYP2D6 mice, the magnitude of differences being much smaller than that shown in EE2-induced cholestasis. Taken together, our data indicate that EE2-induced cholestasis increases SHP and represses CYP2D6 expression in Tg-CYP2D6 mice in part through ERα transactivation of Shp promoter.

  5. Coastal Research Imaging Spectrometer

    NASA Technical Reports Server (NTRS)

    Lucey, Paul G.; Williams, Timothy; Horton, Keith A.

    2004-01-01

    The Coastal Research Imaging Spectrometer (CRIS) is an airborne remote sensing system designed specifically for research on the physical, chemical, and biological characteristics of coastal waters. The CRIS includes a visible-light hyperspectral imaging subsystem for measuring the color of water, which contains information on the biota, sediment, and nutrient contents of the water. The CRIS also includes an infrared imaging subsystem, which provides information on the temperature of the water. The combination of measurements enables investigation of biological effects of both natural and artificial flows of water from land into the ocean, including diffuse and point-source flows that may contain biological and/or chemical pollutants. Temperature is an important element of such measurements because temperature contrasts can often be used to distinguish among flows from different sources: for example, a sewage outflow could manifest itself in spectral images as a local high-temperature anomaly. Both the visible and infrared subsystems scan in pushbroom mode: that is, an aircraft carrying the system moves along a ground track, the system is aimed downward, and image data are acquired in across-track linear arrays of pixels. Both subsystems operate at a frame rate of 30 Hz. The infrared and visible-light optics are adjusted so that both subsystems are aimed at the same moving swath, which has across-track angular width of 15 . Data from the infrared and visible imaging subsystems are stored in the same file along with aircraft- position data acquired by a Global Positioning System receiver. The combination of the three sets of data is used to construct infrared and hyperspectral maps of scanned areas (see figure). The visible subsystem is based on a grating spectrograph and a rapid-readout charge-coupled-device camera. Images of the swatch are acquired in 256 spectral bands at wavelengths from 400 to 800 nm. The infrared subsystem, which is sensitive in a single

  6. 2D surface temperature measurement of plasma facing components with modulated active pyrometry

    SciTech Connect

    Amiel, S.; Loarer, T.; Pocheau, C.; Roche, H.; Gauthier, E.; Aumeunier, M.-H.; Courtois, X.; Jouve, M.; Balorin, C.; Moncada, V.; Le Niliot, C.; Rigollet, F.

    2014-10-01

    In nuclear fusion devices, such as Tore Supra, the plasma facing components (PFC) are in carbon. Such components are exposed to very high heat flux and the surface temperature measurement is mandatory for the safety of the device and also for efficient plasma scenario development. Besides this measurement is essential to evaluate these heat fluxes for a better knowledge of the physics of plasma-wall interaction, it is also required to monitor the fatigue of PFCs. Infrared system (IR) is used to manage to measure surface temperature in real time. For carbon PFCs, the emissivity is high and known (ε ~ 0.8), therefore the contribution of the reflected flux from environment and collected by the IR cameras can be neglected. However, the future tokamaks such as WEST and ITER will be equipped with PFCs in metal (W and Be/W, respectively) with low and variable emissivities (ε ~ 0.1–0.4). Consequently, the reflected flux will contribute significantly in the collected flux by IR camera. The modulated active pyrometry, using a bicolor camera, proposed in this paper allows a 2D surface temperature measurement independently of the reflected fluxes and the emissivity. Experimental results with Tungsten sample are reported and compared with simultaneous measurement performed with classical pyrometry (monochromatic and bichromatic) with and without reflective flux demonstrating the efficiency of this method for surface temperature measurement independently of the reflected flux and the emissivity.

  7. Targeted fluorescence imaging enhanced by 2D materials: a comparison between 2D MoS2 and graphene oxide.

    PubMed

    Xie, Donghao; Ji, Ding-Kun; Zhang, Yue; Cao, Jun; Zheng, Hu; Liu, Lin; Zang, Yi; Li, Jia; Chen, Guo-Rong; James, Tony D; He, Xiao-Peng

    2016-08-04

    Here we demonstrate that 2D MoS2 can enhance the receptor-targeting and imaging ability of a fluorophore-labelled ligand. The 2D MoS2 has an enhanced working concentration range when compared with graphene oxide, resulting in the improved imaging of both cell and tissue samples.

  8. Efficient 2D MRI relaxometry using compressed sensing

    NASA Astrophysics Data System (ADS)

    Bai, Ruiliang; Cloninger, Alexander; Czaja, Wojciech; Basser, Peter J.

    2015-06-01

    Potential applications of 2D relaxation spectrum NMR and MRI to characterize complex water dynamics (e.g., compartmental exchange) in biology and other disciplines have increased in recent years. However, the large amount of data and long MR acquisition times required for conventional 2D MR relaxometry limits its applicability for in vivo preclinical and clinical MRI. We present a new MR pipeline for 2D relaxometry that incorporates compressed sensing (CS) as a means to vastly reduce the amount of 2D relaxation data needed for material and tissue characterization without compromising data quality. Unlike the conventional CS reconstruction in the Fourier space (k-space), the proposed CS algorithm is directly applied onto the Laplace space (the joint 2D relaxation data) without compressing k-space to reduce the amount of data required for 2D relaxation spectra. This framework is validated using synthetic data, with NMR data acquired in a well-characterized urea/water phantom, and on fixed porcine spinal cord tissue. The quality of the CS-reconstructed spectra was comparable to that of the conventional 2D relaxation spectra, as assessed using global correlation, local contrast between peaks, peak amplitude and relaxation parameters, etc. This result brings this important type of contrast closer to being realized in preclinical, clinical, and other applications.

  9. 2D vs. 3D mammography observer study

    NASA Astrophysics Data System (ADS)

    Fernandez, James Reza F.; Hovanessian-Larsen, Linda; Liu, Brent

    2011-03-01

    Breast cancer is the most common type of non-skin cancer in women. 2D mammography is a screening tool to aid in the early detection of breast cancer, but has diagnostic limitations of overlapping tissues, especially in dense breasts. 3D mammography has the potential to improve detection outcomes by increasing specificity, and a new 3D screening tool with a 3D display for mammography aims to improve performance and efficiency as compared to 2D mammography. An observer study using a mammography phantom was performed to compare traditional 2D mammography with this ne 3D mammography technique. In comparing 3D and 2D mammography there was no difference in calcification detection, and mass detection was better in 2D as compared to 3D. There was a significant decrease in reading time for masses, calcifications, and normals in 3D compared to 2D, however, as well as more favorable confidence levels in reading normal cases. Given the limitations of the mammography phantom used, however, a clearer picture in comparing 3D and 2D mammography may be better acquired with the incorporation of human studies in the future.

  10. Dispersion-free continuum two-dimensional electronic spectrometer

    PubMed Central

    Zheng, Haibin; Caram, Justin R.; Dahlberg, Peter D.; Rolczynski, Brian S.; Viswanathan, Subha; Dolzhnikov, Dmitriy S.; Khadivi, Amir; Talapin, Dmitri V.; Engel, Gregory S.

    2015-01-01

    Electronic dynamics span broad energy scales with ultrafast time constants in the condensed phase. Two-dimensional (2D) electronic spectroscopy permits the study of these dynamics with simultaneous resolution in both frequency and time. In practice, this technique is sensitive to changes in nonlinear dispersion in the laser pulses as time delays are varied during the experiment. We have developed a 2D spectrometer that uses broadband continuum generated in argon as the light source. Using this visible light in phase-sensitive optical experiments presents new challenges in implementation. We demonstrate all-reflective interferometric delays using angled stages. Upon selecting an ~180 nm window of the available bandwidth at ~10 fs compression, we probe the nonlinear response of broadly absorbing CdSe quantum dots and electronic transitions of Chlorophyll a. PMID:24663470

  11. Joint 2D and 3D phase processing for quantitative susceptibility mapping: application to 2D echo-planar imaging.

    PubMed

    Wei, Hongjiang; Zhang, Yuyao; Gibbs, Eric; Chen, Nan-Kuei; Wang, Nian; Liu, Chunlei

    2017-04-01

    Quantitative susceptibility mapping (QSM) measures tissue magnetic susceptibility and typically relies on time-consuming three-dimensional (3D) gradient-echo (GRE) MRI. Recent studies have shown that two-dimensional (2D) multi-slice gradient-echo echo-planar imaging (GRE-EPI), which is commonly used in functional MRI (fMRI) and other dynamic imaging techniques, can also be used to produce data suitable for QSM with much shorter scan times. However, the production of high-quality QSM maps is difficult because data obtained by 2D multi-slice scans often have phase inconsistencies across adjacent slices and strong susceptibility field gradients near air-tissue interfaces. To address these challenges in 2D EPI-based QSM studies, we present a new data processing procedure that integrates 2D and 3D phase processing. First, 2D Laplacian-based phase unwrapping and 2D background phase removal are performed to reduce phase inconsistencies between slices and remove in-plane harmonic components of the background phase. This is followed by 3D background phase removal for the through-plane harmonic components. The proposed phase processing was evaluated with 2D EPI data obtained from healthy volunteers, and compared against conventional 3D phase processing using the same 2D EPI datasets. Our QSM results were also compared with QSM values from time-consuming 3D GRE data, which were taken as ground truth. The experimental results show that this new 2D EPI-based QSM technique can produce quantitative susceptibility measures that are comparable with those of 3D GRE-based QSM across different brain regions (e.g. subcortical iron-rich gray matter, cortical gray and white matter). This new 2D EPI QSM reconstruction method is implemented within STI Suite, which is a comprehensive shareware for susceptibility imaging and quantification. Copyright © 2016 John Wiley & Sons, Ltd.

  12. NKG2D receptor and its ligands in host defense

    PubMed Central

    Lanier, Lewis L.

    2015-01-01

    NKG2D is an activating receptor expressed on the surface of natural killer (NK) cells, CD8+ T cells, and subsets of CD4+ T cells, iNKT cells, and γδ T cells. In humans NKG2D transmits signals by its association with the DAP10 adapter subunit and in mice alternatively spliced isoforms transmit signals either using DAP10 or DAP12 adapter subunits. Although NKG2D is encoded by a highly conserved gene (KLRK1) with limited polymorphism, the receptor recognizes an extensive repertoire of ligands, encoded by at least 8 genes in humans (MICA, MICB, RAET1E, RAET1G, RAET1H, RAET1I, RAET1L, and RAET1N), some with extensive allelic polymorphism. Expression of the NKG2D ligands is tightly regulated at the level of transcription, translation, and post-translation. In general healthy adult tissues do not express NKG2D glycoproteins on the cell surface, but these ligands can be induced by hyper-proliferation and transformation, as well as when cells are infected by pathogens. Thus, the NKG2D pathway serves a mechanism for the immune system to detect and eliminate cells that have undergone “stress”. Viruses and tumor cells have devised numerous strategies to evade detection by the NKG2D surveillance system and diversification of the NKG2D ligand genes likely has been driven by selective pressures imposed by pathogens. NKG2D provides an attractive target for therapeutics in the treatment of infectious diseases, cancer, and autoimmune diseases. PMID:26041808

  13. NKG2D Receptor and Its Ligands in Host Defense.

    PubMed

    Lanier, Lewis L

    2015-06-01

    NKG2D is an activating receptor expressed on the surface of natural killer (NK) cells, CD8(+) T cells, and subsets of CD4(+) T cells, invariant NKT cells (iNKT), and γδ T cells. In humans, NKG2D transmits signals by its association with the DAP10 adapter subunit, and in mice alternatively spliced isoforms transmit signals either using DAP10 or DAP12 adapter subunits. Although NKG2D is encoded by a highly conserved gene (KLRK1) with limited polymorphism, the receptor recognizes an extensive repertoire of ligands, encoded by at least eight genes in humans (MICA, MICB, RAET1E, RAET1G, RAET1H, RAET1I, RAET1L, and RAET1N), some with extensive allelic polymorphism. Expression of the NKG2D ligands is tightly regulated at the level of transcription, translation, and posttranslation. In general, healthy adult tissues do not express NKG2D glycoproteins on the cell surface, but these ligands can be induced by hyperproliferation and transformation, as well as when cells are infected by pathogens. Thus, the NKG2D pathway serves as a mechanism for the immune system to detect and eliminate cells that have undergone "stress." Viruses and tumor cells have devised numerous strategies to evade detection by the NKG2D surveillance system, and diversification of the NKG2D ligand genes likely has been driven by selective pressures imposed by pathogens. NKG2D provides an attractive target for therapeutics in the treatment of infectious diseases, cancer, and autoimmune diseases.

  14. 2-D Versus 3-D Magnetotelluric Data Interpretation

    NASA Astrophysics Data System (ADS)

    Ledo, Juanjo

    2005-09-01

    In recent years, the number of publications dealing with the mathematical and physical 3-D aspects of the magnetotelluric method has increased drastically. However, field experiments on a grid are often impractical and surveys are frequently restricted to single or widely separated profiles. So, in many cases we find ourselves with the following question: is the applicability of the 2-D hypothesis valid to extract geoelectric and geological information from real 3-D environments? The aim of this paper is to explore a few instructive but general situations to understand the basics of a 2-D interpretation of 3-D magnetotelluric data and to determine which data subset (TE-mode or TM-mode) is best for obtaining the electrical conductivity distribution of the subsurface using 2-D techniques. A review of the mathematical and physical fundamentals of the electromagnetic fields generated by a simple 3-D structure allows us to prioritise the choice of modes in a 2-D interpretation of responses influenced by 3-D structures. This analysis is corroborated by numerical results from synthetic models and by real data acquired by other authors. One important result of this analysis is that the mode most unaffected by 3-D effects depends on the position of the 3-D structure with respect to the regional 2-D strike direction. When the 3-D body is normal to the regional strike, the TE-mode is affected mainly by galvanic effects, while the TM-mode is affected by galvanic and inductive effects. In this case, a 2-D interpretation of the TM-mode is prone to error. When the 3-D body is parallel to the regional 2-D strike the TE-mode is affected by galvanic and inductive effects and the TM-mode is affected mainly by galvanic effects, making it more suitable for 2-D interpretation. In general, a wise 2-D interpretation of 3-D magnetotelluric data can be a guide to a reasonable geological interpretation.

  15. Recent advances in 2D materials for photocatalysis.

    PubMed

    Luo, Bin; Liu, Gang; Wang, Lianzhou

    2016-04-07

    Two-dimensional (2D) materials have attracted increasing attention for photocatalytic applications because of their unique thickness dependent physical and chemical properties. This review gives a brief overview of the recent developments concerning the chemical synthesis and structural design of 2D materials at the nanoscale and their applications in photocatalytic areas. In particular, recent progress on the emerging strategies for tailoring 2D material-based photocatalysts to improve their photo-activity including elemental doping, heterostructure design and functional architecture assembly is discussed.

  16. Comparison of 2D and 3D gamma analyses

    SciTech Connect

    Pulliam, Kiley B.; Huang, Jessie Y.; Howell, Rebecca M.; Followill, David; Kry, Stephen F.; Bosca, Ryan; O’Daniel, Jennifer

    2014-02-15

    Purpose: As clinics begin to use 3D metrics for intensity-modulated radiation therapy (IMRT) quality assurance, it must be noted that these metrics will often produce results different from those produced by their 2D counterparts. 3D and 2D gamma analyses would be expected to produce different values, in part because of the different search space available. In the present investigation, the authors compared the results of 2D and 3D gamma analysis (where both datasets were generated in the same manner) for clinical treatment plans. Methods: Fifty IMRT plans were selected from the authors’ clinical database, and recalculated using Monte Carlo. Treatment planning system-calculated (“evaluated dose distributions”) and Monte Carlo-recalculated (“reference dose distributions”) dose distributions were compared using 2D and 3D gamma analysis. This analysis was performed using a variety of dose-difference (5%, 3%, 2%, and 1%) and distance-to-agreement (5, 3, 2, and 1 mm) acceptance criteria, low-dose thresholds (5%, 10%, and 15% of the prescription dose), and data grid sizes (1.0, 1.5, and 3.0 mm). Each comparison was evaluated to determine the average 2D and 3D gamma, lower 95th percentile gamma value, and percentage of pixels passing gamma. Results: The average gamma, lower 95th percentile gamma value, and percentage of passing pixels for each acceptance criterion demonstrated better agreement for 3D than for 2D analysis for every plan comparison. The average difference in the percentage of passing pixels between the 2D and 3D analyses with no low-dose threshold ranged from 0.9% to 2.1%. Similarly, using a low-dose threshold resulted in a difference between the mean 2D and 3D results, ranging from 0.8% to 1.5%. The authors observed no appreciable differences in gamma with changes in the data density (constant difference: 0.8% for 2D vs 3D). Conclusions: The authors found that 3D gamma analysis resulted in up to 2.9% more pixels passing than 2D analysis. It must

  17. Thermal Infrared Imaging Spectrometer - An advanced optics technology instrument

    NASA Technical Reports Server (NTRS)

    Mahoney, Colin; Labaw, Clayton; Sobel, Harold; Kahle, Anne

    1990-01-01

    Through the use of a special optical filter, the Thermal Infrared Imaging Spectrometer, an airborne multispectral IR imaging instrument operating in the thermal emission region (7.5-14 microns), will achieve signal-to-noise ratios greater than 600 with ambient temperature optics. This instrument will be used to do compositional surface mapping of the terrain, and will refine the ability to categorize rock families and types by providing much higher spectral resolution in the emission region than was previously available. Details of the optical system, the detector, the cooler system, and the support electronics are described.

  18. De-Li-DAQ-2D - a new data acquisition system for position-sensitive neutron detectors with delay-line readout

    NASA Astrophysics Data System (ADS)

    Levchanovskiy, F. V.; Murashkevich, S. M.

    2016-09-01

    Software for a data acquisition system of modern one- and two-dimensional position-sensitive detectors with delay-line readout, which includes a software interface to a new electronic module De-Li-DAQ-2D with a USB interface, is presented. The new system after successful tests on the stand and on several spectrometers of the IBR-2 reactor has been integrated into the software complex SONIX+ [1]. The De-Li- DAQ-2D module [2] contains an 8-channel time-code converter (TDC-GPX) with a time resolution of 80 ps, field programmable gate array (FPGA), 1 Gbyte histogram memory and high-speed interface with a fiber-optic communication line. A real count rate is no less than 106 events/s. The De-Li-DAQ-2D module is implemented in the NIM standard. The De-Li-DAQ-2D module can operate in two modes: histogram mode and list mode.

  19. Resolution-enhanced Mapping Spectrometer

    NASA Technical Reports Server (NTRS)

    Kumer, J. B.; Aubrun, J. N.; Rosenberg, W. J.; Roche, A. E.

    1993-01-01

    A familiar mapping spectrometer implementation utilizes two dimensional detector arrays with spectral dispersion along one direction and spatial along the other. Spectral images are formed by spatially scanning across the scene (i.e., push-broom scanning). For imaging grating and prism spectrometers, the slit is perpendicular to the spatial scan direction. For spectrometers utilizing linearly variable focal-plane-mounted filters the spatial scan direction is perpendicular to the direction of spectral variation. These spectrometers share the common limitation that the number of spectral resolution elements is given by the number of pixels along the spectral (or dispersive) direction. Resolution enhancement by first passing the light input to the spectrometer through a scanned etalon or Michelson is discussed. Thus, while a detector element is scanned through a spatial resolution element of the scene, it is also temporally sampled. The analysis for all the pixels in the dispersive direction is addressed. Several specific examples are discussed. The alternate use of a Michelson for the same enhancement purpose is also discussed. Suitable for weight constrained deep space missions, hardware systems were developed including actuators, sensor, and electronics such that low-resolution etalons with performance required for implementation would weigh less than one pound.

  20. Ultra Compact Imaging Spectrometer (UCIS)

    NASA Astrophysics Data System (ADS)

    Blaney, Diana L.; Green, Robert; Mouroulis, Pantazis; Cable, Morgan; Ehlmann, Bethany; Haag, Justin; Lamborn, Andrew; McKinley, Ian; Rodriguez, Jose; van Gorp, Byron

    2016-10-01

    The Ultra Compact Imaging Spectrometer (UCIS) is a modular visible to short wavelength infrared imaging spectrometer architecture which could be adapted to a variety of mission concepts requiring low mass and low power. Imaging spectroscopy is an established technique to address complex questions of geologic evolution by mapping diagnostic absorption features due to minerals, organics, and volatiles throughout our solar system. At the core of UCIS is an Offner imaging spectrometer using M3 heritage and a miniature pulse tube cryo-cooler developed under the NASA Maturation of Instruments for Solar System Exploration (MatISSE) program to cool the focal plane array. The TRL 6 integrated spectrometer and cryo-cooler provide a basic imaging spectrometer capability that is used with a variety of fore optics to address lunar, mars, and small body science goals. Potential configurations include: remote sensing from small orbiters and flyby spacecraft; in situ panoramic imaging spectroscopy; and in situ micro-spectroscopy. A micro-spectroscopy front end is being developed using MatISSE funding with integration and testing planned this summer.

  1. On-chip random spectrometer

    NASA Astrophysics Data System (ADS)

    Redding, B.; Liew, S. F.; Sarma, R.; Cao, H.

    2014-05-01

    Spectrometers are widely used tools in chemical and biological sensing, material analysis, and light source characterization. The development of a high-resolution on-chip spectrometer could enable compact, low-cost spectroscopy for portable sensing as well as increasing lab-on-a-chip functionality. However, the spectral resolution of traditional grating-based spectrometers scales with the optical pathlength, which translates to the linear dimension or footprint of the system, which is limited on-chip. In this work, we utilize multiple scattering in a random photonic structure fabricated on a silicon chip to fold the optical path, making the effective pathlength much longer than the linear dimension of the system and enabling high spectral resolution with a small footprint. Of course, the random spectrometer also requires a different operating paradigm, since different wavelengths are not spatially separated by the random structure, as they would be by a grating. Instead, light transmitted through the random structure produces a wavelengthdependent speckle pattern which can be used as a fingerprint to identify the input spectra after calibration. In practice, these wavelength-dependent speckle patterns are experimentally measured and stored in a transmission matrix, which describes the spectral-to-spatial mapping of the spectrometer. After calibrating the transmission matrix, an arbitrary input spectrum can be reconstructed from its speckle pattern. We achieved sub-nm resolution with 25 nm bandwidth at a wavelength of 1500 nm using a scattering medium with largest dimension of merely 50 μm.

  2. Coherent IR radar technology

    NASA Astrophysics Data System (ADS)

    Gschwendtner, A. B.; Harney, R. C.; Hull, R. J.

    Recent progress in the development of coherent IR radar equipment is reviewed, focusing on the Firepond laser radar installation and the more compact systems derived for it. The design and capabilities of Firepond as a long-range satellite-tracking device are outlined. The technological improvements necessary to make laser radar mobile are discussed: a lightweight, stable 5-10-W transmitter laser for both CW and pulsed operation, a 12-element HgCdTe detector array, an eccentric-pupil Ritchey-Chretien telescope, and a combination of near-field phase modification and anamorphic expansion to produce a fan beam of relatively uniform intensity. Sample images obtained with a prototype system are shown, and the applicability of the mobile system to range-resolved coherent DIAL measurement is found to be similar to that of a baseline DIAL system.

  3. Next Generation Grating Spectrometer Sounders for LEO and GEO

    NASA Technical Reports Server (NTRS)

    Pagano, Thomas S.

    2011-01-01

    AIRS and MODIS are widely used for weather, climate, composition, carbon cycle, cross-calibration, and applications. The community asking for new capability in the 2020 timeframe, capabilities desired: (1) Hyperspectral UV to LWIR, High Spatial ?1km IFOV (2) Maximize Synergies of Solar Reflected and IR. Synergies with OCO-2. We expect more users and applications of next gen LEO IR Sounder than GEO. These include: weather, climate, GHG monitoring, aviation, disaster response. There is a new direction for imagers and sounders: (1) Separate Vis/NIR/SWIR from MWIR/LWIR instruments reduces technology risk and complexity. (2) Expect Costs to be lower than CrIS & VIIRS Some additional ideas to reduce costs include: (1) minimum set of requirements (2) mini-grating spectrometers. supports constellation for higher revisit (3) new technology to reduce instrument size (large format fpa's) (4) hosted payloads

  4. High-throughput infrared spectrometer for standoff chemical detection

    NASA Astrophysics Data System (ADS)

    Chadha, Suneet; Stevenson, Chuck; Curtiss, Lawrence E.

    1999-01-01

    Advanced autonomous detection of chemical warfare agents and other organic materials has long been a major military concern. While significant advances have recently been accomplished in remote spectral sensing using rugged FTIRs with point detectors, efforts towards spatial chemical discrimination have been lacking. Foster-Miller, Inc. has developed a radically different mid-IR and long wave IR spectrometer for standoff detection of chemical warfare agents and other molecular species.This no moving parts device will eliminate the cost, complexity, reliability and bandwidth/resolution problems associated with either Fabry Perot or Michelson Interferometer based approaches currently under consideration. Given the small size and performance insensitivity to on-board vibration, high EMI, thermal variations, the proposed optic would easily adapt cryocooling and field deployable requirements for low radiance detection.

  5. Recovering 3D particle size distributions from 2D sections

    NASA Astrophysics Data System (ADS)

    Cuzzi, Jeffrey N.; Olson, Daniel M.

    2017-03-01

    We discuss different ways to convert observed, apparent particle size distributions from 2D sections (thin sections, SEM maps on planar surfaces, etc.) into true 3D particle size distributions. We give a simple, flexible, and practical method to do this; show which of these techniques gives the most faithful conversions; and provide (online) short computer codes to calculate both 2D-3D recoveries and simulations of 2D observations by random sectioning. The most important systematic bias of 2D sectioning, from the standpoint of most chondrite studies, is an overestimate of the abundance of the larger particles. We show that fairly good recoveries can be achieved from observed size distributions containing 100-300 individual measurements of apparent particle diameter.

  6. Phonon thermal conduction in novel 2D materials

    NASA Astrophysics Data System (ADS)

    Xu, Xiangfan; Chen, Jie; Li, Baowen

    2016-12-01

    Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS2, black phosphorous and silicene.

  7. Recent developments in 2D layered inorganic nanomaterials for sensing

    NASA Astrophysics Data System (ADS)

    Kannan, Padmanathan Karthick; Late, Dattatray J.; Morgan, Hywel; Rout, Chandra Sekhar

    2015-08-01

    Two dimensional layered inorganic nanomaterials (2D-LINs) have recently attracted huge interest because of their unique thickness dependent physical and chemical properties and potential technological applications. The properties of these layered materials can be tuned via both physical and chemical processes. Some 2D layered inorganic nanomaterials like MoS2, WS2 and SnS2 have been recently developed and employed in various applications, including new sensors because of their layer-dependent electrical properties. This article presents a comprehensive overview of recent developments in the application of 2D layered inorganic nanomaterials as sensors. Some of the salient features of 2D materials for different sensing applications are discussed, including gas sensing, electrochemical sensing, SERS and biosensing, SERS sensing and photodetection. The working principles of the sensors are also discussed together with examples.

  8. Phonon thermal conduction in novel 2D materials.

    PubMed

    Xu, Xiangfan; Chen, Jie; Li, Baowen

    2016-12-07

    Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS2, black phosphorous and silicene.

  9. Exact Solution of Ising Model in 2d Shortcut Network

    NASA Astrophysics Data System (ADS)

    Shanker, O.

    We give the exact solution to the Ising model in the shortcut network in the 2D limit. The solution is found by mapping the model to the square lattice model with Brascamp and Kunz boundary conditions.

  10. Technical Review of the UNET2D Hydraulic Model

    SciTech Connect

    Perkins, William A.; Richmond, Marshall C.

    2009-05-18

    The Kansas City District of the US Army Corps of Engineers is engaged in a broad range of river management projects that require knowledge of spatially-varied hydraulic conditions such as velocities and water surface elevations. This information is needed to design new structures, improve existing operations, and assess aquatic habitat. Two-dimensional (2D) depth-averaged numerical hydraulic models are a common tool that can be used to provide velocity and depth information. Kansas City District is currently using a specific 2D model, UNET2D, that has been developed to meet the needs of their river engineering applications. This report documents a tech- nical review of UNET2D.

  11. Reconstruction-based 3D/2D image registration.

    PubMed

    Tomazevic, Dejan; Likar, Bostjan; Pernus, Franjo

    2005-01-01

    In this paper we present a novel 3D/2D registration method, where first, a 3D image is reconstructed from a few 2D X-ray images and next, the preoperative 3D image is brought into the best possible spatial correspondence with the reconstructed image by optimizing a similarity measure. Because the quality of the reconstructed image is generally low, we introduce a novel asymmetric mutual information similarity measure, which is able to cope with low image quality as well as with different imaging modalities. The novel 3D/2D registration method has been evaluated using standardized evaluation methodology and publicly available 3D CT, 3DRX, and MR and 2D X-ray images of two spine phantoms, for which gold standard registrations were known. In terms of robustness, reliability and capture range the proposed method outperformed the gradient-based method and the method based on digitally reconstructed radiographs (DRRs).

  12. Alloyed 2D Metal-Semiconductor Atomic Layer Junctions.

    PubMed

    Kim, Ah Ra; Kim, Yonghun; Nam, Jaewook; Chung, Hee-Suk; Kim, Dong Jae; Kwon, Jung-Dae; Park, Sang Won; Park, Jucheol; Choi, Sun Young; Lee, Byoung Hun; Park, Ji Hyeon; Lee, Kyu Hwan; Kim, Dong-Ho; Choi, Sung Mook; Ajayan, Pulickel M; Hahm, Myung Gwan; Cho, Byungjin

    2016-03-09

    Heterostructures of compositionally and electronically variant two-dimensional (2D) atomic layers are viable building blocks for ultrathin optoelectronic devices. We show that the composition of interfacial transition region between semiconducting WSe2 atomic layer channels and metallic NbSe2 contact layers can be engineered through interfacial doping with Nb atoms. WxNb1-xSe2 interfacial regions considerably lower the potential barrier height of the junction, significantly improving the performance of the corresponding WSe2-based field-effect transistor devices. The creation of such alloyed 2D junctions between dissimilar atomic layer domains could be the most important factor in controlling the electronic properties of 2D junctions and the design and fabrication of 2D atomic layer devices.

  13. Dominant 2D magnetic turbulence in the solar wind

    NASA Technical Reports Server (NTRS)

    Bieber, John W.; Wanner, Wolfgang; Matthaeus, William H.

    1995-01-01

    There have been recent suggestions that solar wind magnetic turbulence may be a composite of slab geometry (wavevector aligned with the mean magnetic field) and 2D geometry (wavevectors perpendicular to the mean field). We report results of two new tests of this hypothesis using Helios measurements of inertial ranged magnetic spectra in the solar wind. The first test is based upon a characteristic difference between perpendicular and parallel reduced power spectra which is expected for the 2D component but not for the slab component. The second test examines the dependence of power spectrum density upon the magnetic field angle (i.e., the angle between the mean magnetic field and the radial direction), a relationship which is expected to be in opposite directions for the slab and 2D components. Both tests support the presence of a dominant (approximately 85 percent by energy) 2D component in solar wind magnetic turbulence.

  14. Studying Zeolite Catalysts with a 2D Model System

    SciTech Connect

    Boscoboinik, Anibal

    2016-12-07

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  15. ORION96. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L.A.; Hallquist, J.O.

    1992-02-02

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  16. Emerging and potential opportunities for 2D flexible nanoelectronics

    NASA Astrophysics Data System (ADS)

    Zhu, Weinan; Park, Saungeun; Akinwande, Deji

    2016-05-01

    The last 10 years have seen the emergence of two-dimensional (2D) nanomaterials such as graphene, transition metal dichalcogenides (TMDs), and black phosphorus (BP) among the growing portfolio of layered van der Waals thin films. Graphene, the prototypical 2D material has advanced rapidly in device, circuit and system studies that has resulted in commercial large-area applications. In this work, we provide a perspective of the emerging and potential translational applications of 2D materials including semiconductors, semimetals, and insulators that comprise the basic material set for diverse nanosystems. Applications include RF transceivers, smart systems, the so-called internet of things, and neurotechnology. We will review the DC and RF electronic performance of graphene and BP thin film transistors. 2D materials at sub-um channel length have so far enabled cut-off frequencies from baseband to 100GHz suitable for low-power RF and sub-THz concepts.

  17. Mini ion trap mass spectrometer

    DOEpatents

    Dietrich, D.D.; Keville, R.F.

    1995-09-19

    An ion trap is described which operates in the regime between research ion traps which can detect ions with a mass resolution of better than 1:10{sup 9} and commercial mass spectrometers requiring 10{sup 4} ions with resolutions of a few hundred. The power consumption is kept to a minimum by the use of permanent magnets and a novel electron gun design. By Fourier analyzing the ion cyclotron resonance signals induced in the trap electrodes, a complete mass spectra in a single combined structure can be detected. An attribute of the ion trap mass spectrometer is that overall system size is drastically reduced due to combining a unique electron source and mass analyzer/detector in a single device. This enables portable low power mass spectrometers for the detection of environmental pollutants or illicit substances, as well as sensors for on board diagnostics to monitor engine performance or for active feedback in any process involving exhausting waste products. 10 figs.

  18. Mini ion trap mass spectrometer

    DOEpatents

    Dietrich, Daniel D.; Keville, Robert F.

    1995-01-01

    An ion trap which operates in the regime between research ion traps which can detect ions with a mass resolution of better than 1:10.sup.9 and commercial mass spectrometers requiring 10.sup.4 ions with resolutions of a few hundred. The power consumption is kept to a minimum by the use of permanent magnets and a novel electron gun design. By Fourier analyzing the ion cyclotron resonance signals induced in the trap electrodes, a complete mass spectra in a single combined structure can be detected. An attribute of the ion trap mass spectrometer is that overall system size is drastically reduced due to combining a unique electron source and mass analyzer/detector in a single device. This enables portable low power mass spectrometers for the detection of environmental pollutants or illicit substances, as well as sensors for on board diagnostics to monitor engine performance or for active feedback in any process involving exhausting waste products.

  19. Mobile spectrometer measures radar backscatter

    NASA Technical Reports Server (NTRS)

    Gogineni, S.; Moore, R. K.; Onstott, R. G.; Kim, Y. S.; Bushnell, D.

    1984-01-01

    The present article is concerned with a helicopter-borne spectrometer (Heloscat), which has been developed to permit high-quality scattering measurements from a mobile platform at remote sites. The term 'spectrometer' referes to a class of scatterometers. The term 'scatterometer' is employed to denote a specialized radar for measuring scattering coefficients as a function of angle. A spectrometer, on the other hand, is a scatterometer which can measure backscatter at several frequencies. The Heloscat system is discussed, taking into account two antennas, RF hardware, and an externally mounted pendulum for angle encoding. A dual-antenna configuration is used for cross-polarized measurements, while a single-antenna system is used for like-polarized measurements. Attention is also given to oscillator characteristics, efficient data handling, and aspects of calibration.

  20. Differentiation of the root of Cultivated Ginseng, Mountain Cultivated Ginseng and Mountain Wild Ginseng using FT-IR and two-dimensional correlation IR spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Dan; Li, Yong-Guo; Xu, Hong; Sun, Su-Qin; Wang, Zheng-Tao

    2008-07-01

    Ginseng is one of the most widely used herbal medicines. Based on the grown environments and the cultivate method, three kinds of ginseng, Cultivated Ginseng (CG), Mountain Cultivated Ginseng (MCG) and Mountain Wild Ginseng (MWG) are classified. A novel and scientific-oriented method was developed and established to discriminate and identify three kinds of ginseng using Fourier transform infrared spectroscopy (FT-IR), secondary derivative IR spectra and two-dimensional correlation infrared spectroscopy (2D-IR). The findings indicated that the relative contents of starch in the CG were more than that in MCG and MWG, while the relative contents of calcium oxalate and lipids in MWG were more than that in CG and MCG, and the relative contents of fatty acid in MCG were more than that in CG and MWG. The hierarchical cluster analysis was applied to data analysis of MWG, CG and MWG, which could be classified successfully. The results demonstrated the macroscopic IR fingerprint method, including FT-IR, secondary derivative IR and 2D-IR, can be applied to discriminate different ginsengs rapidly, effectively and non-destructively.

  1. Optimizing water hyperpolarization and dissolution for sensitivity-enhanced 2D biomolecular NMR

    NASA Astrophysics Data System (ADS)

    Olsen, Greg; Markhasin, Evgeny; Szekely, Or; Bretschneider, Christian; Frydman, Lucio

    2016-03-01

    A recent study explored the use of hyperpolarized water, to enhance the sensitivity of nuclei in biomolecules thanks to rapid proton exchanges with labile amide backbone and sidechain groups. Further optimizations of this approach have now allowed us to achieve proton polarizations approaching 25% in the water transferred into the NMR spectrometer, effective water T1 times approaching 40 s, and a reduction in the dilution demanded for the cryogenic dissolution process. Further hardware developments have allowed us to perform these experiments, repeatedly and reliably, in 5 mm NMR tubes. All these ingredients - particularly the ⩾3000× 1H polarization enhancements over 11.7 T thermal counterparts, long T1 times and a compatibility with high-resolution biomolecular NMR setups - augur well for hyperpolarized 2D NMR studies of peptides, unfolded proteins and intrinsically disordered systems undergoing fast exchanges of their protons with the solvent. This hypothesis is here explored by detailing the provisions that lead to these significant improvements over previous reports, and demonstrating 1D coherence transfer experiments and 2D biomolecular HMQC acquisitions delivering NMR spectral enhancements of 100-500× over their optimized, thermally-polarized, counterparts.

  2. Anisotropic 2D Materials for Tunable Hyperbolic Plasmonics.

    PubMed

    Nemilentsau, Andrei; Low, Tony; Hanson, George

    2016-02-12

    Motivated by the recent emergence of a new class of anisotropic 2D materials, we examine their electromagnetic modes and demonstrate that a broad class of the materials can host highly directional hyperbolic plasmons. Their propagation direction can be manipulated on the spot by gate doping, enabling hyperbolic beam reflection, refraction, and bending. The realization of these natural 2D hyperbolic media opens up a new avenue in dynamic control of hyperbolic plasmons not possible in the 3D version.

  3. RNA folding pathways and kinetics using 2D energy landscapes.

    PubMed

    Senter, Evan; Dotu, Ivan; Clote, Peter

    2015-01-01

    RNA folding pathways play an important role in various biological processes, such as (i) the hok/sok (host-killing/suppression of killing) system in E. coli to check for sufficient plasmid copy number, (ii) the conformational switch in spliced leader (SL) RNA from Leptomonas collosoma, which controls trans splicing of a portion of the '5 exon, and (iii) riboswitches--portions of the 5' untranslated region of messenger RNA that regulate genes by allostery. Since RNA folding pathways are determined by the energy landscape, we describe a novel algorithm, FFTbor2D, which computes the 2D projection of the energy landscape for a given RNA sequence. Given two metastable secondary structures A, B for a given RNA sequence, FFTbor2D computes the Boltzmann probability p(x, y) = Z(x,y)/Z that a secondary structure has base pair distance x from A and distance y from B. Using polynomial interpolationwith the fast Fourier transform,we compute p(x, y) in O(n(5)) time and O(n(2)) space, which is an improvement over an earlier method, which runs in O(n(7)) time and O(n(4)) space. FFTbor2D has potential applications in synthetic biology, where one might wish to design bistable switches having target metastable structures A, B with favorable pathway kinetics. By inverting the transition probability matrix determined from FFTbor2D output, we show that L. collosoma spliced leader RNA has larger mean first passage time from A to B on the 2D energy landscape, than 97.145% of 20,000 sequences, each having metastable structures A, B. Source code and binaries are freely available for download at http://bioinformatics.bc.edu/clotelab/FFTbor2D. The program FFTbor2D is implemented in C++, with optional OpenMP parallelization primitives.

  4. Supported and Free-Standing 2D Semimetals

    DTIC Science & Technology

    2015-01-15

    of this effort on focusing on rare- earth arsenides (RE-A), although not a van der Waals 2D solid, nonetheless, exhibits substantial 2D quantum size...this effort on focusing on rare- earth arsenides (RE- A), although not a van der Waals 20 solid, nonetheless, exhibits substantial 20 quantum size...Brongersma and S.R. Bank, "Rare- earth monopnictide alloys for tunable, epitaxial metals" in preparation. iii. S. Rahimi, E. M. Krivoy, J. Lee, M. E

  5. Application of 2-D graphical representation of DNA sequence

    NASA Astrophysics Data System (ADS)

    Liao, Bo; Tan, Mingshu; Ding, Kequan

    2005-10-01

    Recently, we proposed a 2-D graphical representation of DNA sequence [Bo Liao, A 2-D graphical representation of DNA sequence, Chem. Phys. Lett. 401 (2005) 196-199]. Based on this representation, we consider properties of mutations and compute the similarities among 11 mitochondrial sequences belonging to different species. The elements of the similarity matrix are used to construct phylogenic tree. Unlike most existing phylogeny construction methods, the proposed method does not require multiple alignment.

  6. phase_space_cosmo_fisher: Fisher matrix 2D contours

    NASA Astrophysics Data System (ADS)

    Stark, Alejo

    2016-11-01

    phase_space_cosmo_fisher produces Fisher matrix 2D contours from which the constraints on cosmological parameters can be derived. Given a specified redshift array and cosmological case, 2D marginalized contours of cosmological parameters are generated; the code can also plot the derivatives used in the Fisher matrix. In addition, this package can generate 3D plots of qH^2 and other cosmological quantities as a function of redshift and cosmology.

  7. A simultaneous 2D/3D autostereo workstation

    NASA Astrophysics Data System (ADS)

    Chau, Dennis; McGinnis, Bradley; Talandis, Jonas; Leigh, Jason; Peterka, Tom; Knoll, Aaron; Sumer, Aslihan; Papka, Michael; Jellinek, Julius

    2012-03-01

    We present a novel immersive workstation environment that scientists can use for 3D data exploration and as their everyday 2D computer monitor. Our implementation is based on an autostereoscopic dynamic parallax barrier 2D/3D display, interactive input devices, and a software infrastructure that allows client/server software modules to couple the workstation to scientists' visualization applications. This paper describes the hardware construction and calibration, software components, and a demonstration of our system in nanoscale materials science exploration.

  8. Phylogenetic tree construction based on 2D graphical representation

    NASA Astrophysics Data System (ADS)

    Liao, Bo; Shan, Xinzhou; Zhu, Wen; Li, Renfa

    2006-04-01

    A new approach based on the two-dimensional (2D) graphical representation of the whole genome sequence [Bo Liao, Chem. Phys. Lett., 401(2005) 196.] is proposed to analyze the phylogenetic relationships of genomes. The evolutionary distances are obtained through measuring the differences among the 2D curves. The fuzzy theory is used to construct phylogenetic tree. The phylogenetic relationships of H5N1 avian influenza virus illustrate the utility of our approach.

  9. The IRS-1 signaling system.

    PubMed

    Myers, M G; Sun, X J; White, M F

    1994-07-01

    Insulin-receptor substrate 1 (IRS-1) is a principal substrate of the receptor tyrosine kinase for insulin and insulin-like growth factor 1, and a substrate for a tyrosine kinase activated by interleukin 4. IRS-1 undergoes multisite tyrosine phosphorylation and mediates downstream signals by 'docking' various proteins that contain Src homology 2 domains. IRS-1 appears to be a unique molecule; however, 4PS, a protein found mainly in hemopoietic cells, may represent another member of this family.

  10. The GRAVITY spectrometers: mechanical design

    NASA Astrophysics Data System (ADS)

    Fischer, Sebastian; Wiest, Michael; Straubmeier, Christian; Yazici, Senol; Araujo-Hauck, Constanza; Eisenhauer, Frank; Perrin, Guy; Brandner, Wolfgang; Perraut, Karine; Amorim, Antonio; Schöller, Markus; Eckart, Andreas

    2010-07-01

    Operating on 6 interferometric baselines, i.e. using all 4 UTs, the 2nd generation VLTI instrument GRAVITY will deliver narrow angle astrometry with 10μas accuracy at the infrared K-band. Within the international GRAVITY consortium, the Cologne institute is responsible for the development and construction of the two spectrometers: one for the science object, and one for the fringe tracking object. Optically two individual components, both spectrometers are two separate units with their own housing and interfaces inside the vacuum vessel of GRAVITY. The general design of the spectrometers, however, is similar. The optical layout is separated into beam collimator (with integrated optics and metrology laser injection) and camera system (with detector, dispersive element, & Wollaston filter wheel). Mechanically, this transfers to two regions which are separated by a solid baffle wall incorporating the blocking filter for the metrology Laser wavelength. The optical subunits are mounted in individual rigid tubes which pay respect to the individual shape, size and thermal expansion of the lenses. For a minimized thermal background, the spectrometers are actively cooled down to an operating temperature of 80K in the ambient temperature environment of the GRAVITY vacuum dewar. The integrated optics beam combiner and the metrology laser injection, which are operated at 200/240K, are mounted thermally isolated to the cold housing of the spectrometers. The optical design has shown that the alignment of the detector is crucial to the performance of the spectrometers. Therefore, in addition to four wheel mechanisms, six cryogenic positioning mechanisms are included in the mechanical design of the detector mount.

  11. The GRAVITY spectrometers: thermal behaviour

    NASA Astrophysics Data System (ADS)

    Wank, Imke; Straubmeier, Christian; Wiest, Michael; Yazici, Senol; Fischer, Sebastian; Eisenhauer, Frank; Perrin, Guy S.; Perraut, Karine; Brandner, Wolfgang; Amorim, Antonio; Schöller, Markus; Eckart, Andreas

    2014-07-01

    GRAVITY is a 2nd generation VLTI Instrument o which operates on 6 interferometric baselines by using all 4 Unit Telescopes. It will deliver narrow angle astrometry with 10μas accuracy at the infrared K-band. At the 1. Physikalische Institut of the University of Cologne, which is part of the international GRAVITY consortium, two spectrometers, one for the sciene object, and one for the fringe tracking object, have been designed, manufactured and tested. These spectrometers are two individual devices, each with own housing and interfaces. For a minimized thermal background, the spectrometers are actively cooled down to an operating temperature of 80K in the ambient temperature environment of the Beam Combiner Instrument (BCI) cryostat. The outer casings are mounted thermal isolated to the base plate by glass fiber reinforced plastic (GRP) stands, copper cooling structures conduct the cold inside the spectrometers where it is routed to components via Cu cooling stripes. The spectrometers are covered with shells made of multi insulation foil. There will be shown and compared 3 cooling installations: setups in the Cologne test dewar, in the BCI dewar and in a mock-up cad model. There are some striking differences between the setup in the 2 different dewars. In the Cologne Test dewar the spectrometers are connected to the coldplate (80K); a Cu cooling structure and the thermal isolating GRP stands are bolted to the coldplate. In the BCI dewer Cu cooling structure is connected to the bottom of the nitrogen tank (80K), the GRP stands are bolted to the base plate (240K). The period of time during the cooldown process will be analyzed.

  12. Regulation of NKG2D ligand gene expression.

    PubMed

    Eagle, Robert A; Traherne, James A; Ashiru, Omodele; Wills, Mark R; Trowsdale, John

    2006-03-01

    The activating immunoreceptor NKG2D has seven known host ligands encoded by the MHC class I chain-related MIC and ULBP/RAET genes. Why there is such diversity of NKG2D ligands is not known but one hypothesis is that they are differentially expressed in different tissues in response to different stresses. To explore this, we compared expression patterns and promoters of NKG2D ligand genes. ULBP/RAET genes were transcribed independent of each other in a panel of cell lines. ULBP/RAET gene expression was upregulated on infection with human cytomegalovirus; however, a clinical strain, Toledo, induced expression more slowly than did a laboratory strain, AD169. ULBP4/RAET1E was not induced by infection with either strain. To investigate the mechanisms behind the similarities and differences in NKG2D ligand gene expression a comparative sequence analysis of NKG2D ligand gene putative promoter regions was conducted. Sequence alignments demonstrated that there was significant sequence diversity; however, one region of high similarity between most of the genes is evident. This region contains a number of potential transcription factor binding sites, including those involved in shock responses and sites for retinoic acid-induced factors. Promoters of some NKG2D ligand genes are polymorphic and several sequence alterations in these alleles abolished putative transcription factor binding.

  13. CYP2D6 variability in populations from Venezuela.

    PubMed

    Moreno, Nancy; Flores-Angulo, Carlos; Villegas, Cecilia; Mora, Yuselin

    2016-12-01

    CYP2D6 is an important cytochrome P450 enzyme that plays an important role in the metabolism of about 25% of currently prescribed drugs. The presence of polymorphisms in the CYP2D6 gene may modulate enzyme level and activity, thereby affecting individual responses to pharmacological treatments. The most prevalent diseases in the admixed population from Venezuela are cardiovascular and cancer, whereas viral, bacterial and parasitic diseases, particularly malaria, are prevalent in Amerindian populations; in the treatment of these diseases, several drugs that are metabolized by CYP2D6 are used. In this work, we reviewed the data on CYP2D6 variability and predicted metabolizer phenotypes, in healthy volunteers of two admixed and five Amerindian populations from Venezuela. The Venezuelan population is very heterogeneous as a result of the genetic admixture of three major ethnical components: Europeans, Africans and Amerindians. There are noticeable inter-regional and inter-population differences in the process of mixing of this population. Hitherto, there are few published studies in Venezuela on CYP2D6; therefore, it is necessary to increase research in this regard, in particular to develop studies with a larger sample size. There is a considerable amount of work remaining before CYP2D6 is integrated into clinical practice in Venezuela.

  14. 2D microscopic model of graphene fracture properties

    NASA Astrophysics Data System (ADS)

    Hess, Peter

    2015-05-01

    An analytical two-dimensional (2D) microscopic fracture model based on Morse-type interaction is derived containing no adjustable parameter. From the 2D Young’s moduli and 2D intrinsic strengths of graphene measured by nanoindentation based on biaxial tension and calculated by density functional theory for uniaxial tension the widely unknown breaking force, line or edge energy, surface energy, fracture toughness, and strain energy release rate were determined. The simulated line energy agrees well with ab initio calculations and the fracture toughness of perfect graphene sheets is in good agreement with molecular dynamics simulations and the fracture toughness evaluated for defective graphene using the Griffith relation. Similarly, the estimated critical strain energy release rate agrees well with result of various theoretical approaches based on the J-integral and surface energy. The 2D microscopic model, connecting 2D and three-dimensional mechanical properties in a consistent way, provides a versatile relationship to easily access all relevant fracture properties of pristine 2D solids.

  15. Portable smartphone optical fibre spectrometer

    NASA Astrophysics Data System (ADS)

    Hossain, Md. Arafat; Canning, John; Cook, Kevin; Jamalipour, Abbas

    2015-09-01

    A low cost, optical fibre based spectrometer has been developed on a smartphone platform for field-portable spectral analysis. Light of visible wavelength is collected using a multimode optical fibre and diffracted by a low cost nanoimprinted diffraction grating. A measurement range over 300 nm span (λ = 400 to 700 nm) is obtained using the smartphone CMOS chip. The spectral resolution is Δλ ~ 0.42 nm/screen pixel. A customized Android application processed the spectra on the same platform and shares with other devices. The results compare well with commercially available spectrometer.

  16. Towed seabed gamma ray spectrometer

    SciTech Connect

    Jones, D.G. )

    1994-08-01

    For more than 50 years, the measurement of radioactivity has been used for onshore geological surveys and in laboratories. The British Geological Survey (BGS) has extended the use of this type of equipment to the marine environment with the development of seabed gamma ray spectrometer systems. The present seabed gamma ray spectrometer, known as the Eel, has been successfully used for sediment and solid rock mapping, mineral exploration, and radioactive pollution studies. The range of applications for the system continues to expand. This paper examines the technological aspects of the Eel and some of the applications for which it has been used.

  17. A Fabry-Perot interferometer-based long-wavelength infrared spectrometer utilizing a novel PDMS patterning technique

    NASA Astrophysics Data System (ADS)

    Geon Jung, Dong; Kim, Ho Won; Baek, Sun Min; Bang, Soon Jae; Kong, Seong Ho

    2015-06-01

    We report a Fabry-Perot interferometer (FPI)-based infrared (IR) spectrometer designed for long-wavelength infrared (LWIR) region. To fabricate the proposed FPI-based LWIR spectrometer, we developed a novel poly(dimethylsiloxane) (PDMS) patterning technique by combining photolithography and dry etching. The proposed PDMS patterning technique has advantages such as clear shape of PDMS pattern and no damage to the silicon (Si) substrate. Especially, the final height of PDMS pattern is easily adjusted by controlling the thickness of spin-coated photoresist. The proposed FPI-based IR spectrometer, which is composed of upper and lower substrate were fabricated separately utilizing newly proposed PDMS patterning technique. Experimental results show that maximum transmittance of filtered wavelength component by the proposed FPI-based IR spectrometer lies at the wavelength of 16 µm. The proposed IR spectrometer can detect a specific wavelength at LWIR region by controlling the air etalon gap that is adjusted by utilizing the proposed PDMS patterning technique.

  18. A high-throughput neutron spectrometer

    NASA Astrophysics Data System (ADS)

    Stampfl, Anton; Noakes, Terry; Bartsch, Friedl; Bertinshaw, Joel; Veliscek-Carolan, Jessica; Nateghi, Ebrahim; Raeside, Tyler; Yethiraj, Mohana; Danilkin, Sergey; Kearley, Gordon

    2010-03-01

    A cross-disciplinary high-throughput neutron spectrometer is currently under construction at OPAL, ANSTO's open pool light-water research reactor. The spectrometer is based on the design of a Be-filter spectrometer (FANS) that is operating at the National Institute of Standards research reactor in the USA. The ANSTO filter-spectrometer will be switched in and out with another neutron spectrometer, the triple-axis spectrometer, Taipan. Thus two distinct types of neutron spectrometers will be accessible: one specialised to perform phonon dispersion analysis and the other, the filter-spectrometer, designed specifically to measure vibrational density of states. A summary of the design will be given along with a detailed ray-tracing analysis. Some preliminary results will be presented from the spectrometer.

  19. Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

    SciTech Connect

    Cazade, Pierre-André; Das, Akshaya K.; Tran, Halina; Kläsi, Felix; Hamm, Peter; Bereau, Tristan; Meuwly, Markus

    2015-06-07

    The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF–HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

  20. Very-high-resolution tandem Fabry-Perot etalon cylindrical beam volume hologram spectrometer for diffuse source spectroscopy.

    PubMed

    Badieirostami, Majid; Momtahan, Omid; Hsieh, Chaoray; Adibi, Ali; Brady, David J

    2008-01-01

    We demonstrate a compact and slitless spectrometer with high resolution formed by cascading a Fabry-Perot etalon (FPE) and a cylindrical beam volume hologram (CBVH). The most significant advantage of this combined spectrometer is that we can independently encode spectral information of a diffuse beam in a 2D plane. Also, we show that in this slitless configuration we can simultaneously benefit from the advantages of both elements: the high resolution of the FPE and the large spectral range of the CBVH. Here, we report on the experimental demonstration of a spectrometer with better than 0.2 nm resolution.

  1. 2D Hexagonal Boron Nitride (2D-hBN) Explored for the Electrochemical Sensing of Dopamine.

    PubMed

    Khan, Aamar F; Brownson, Dale A C; Randviir, Edward P; Smith, Graham C; Banks, Craig E

    2016-10-04

    Crystalline 2D hexagonal boron nitride (2D-hBN) nanosheets are explored as a potential electrocatalyst toward the electroanalytical sensing of dopamine (DA). The 2D-hBN nanosheets are electrically wired via a drop-casting modification process onto a range of commercially available carbon supporting electrodes, including glassy carbon (GC), boron-doped diamond (BDD), and screen-printed graphitic electrodes (SPEs). 2D-hBN has not previously been explored toward the electrochemical detection/electrochemical sensing of DA. We critically evaluate the potential electrocatalytic performance of 2D-hBN modified electrodes, the effect of supporting carbon electrode platforms, and the effect of "mass coverage" (which is commonly neglected in the 2D material literature) toward the detection of DA. The response of 2D-hBN modified electrodes is found to be largely dependent upon the interaction between 2D-hBN and the underlying supporting electrode material. For example, in the case of SPEs, modification with 2D-hBN (324 ng) improves the electrochemical response, decreasing the electrochemical oxidation potential of DA by ∼90 mV compared to an unmodified SPE. Conversely, modification of a GC electrode with 2D-hBN (324 ng) resulted in an increased oxidation potential of DA by ∼80 mV when compared to the unmodified electrode. We explore the underlying mechanisms of the aforementioned examples and infer that electrode surface interactions and roughness factors are critical considerations. 2D-hBN is utilized toward the sensing of DA in the presence of the common interferents ascorbic acid (AA) and uric acid (UA). 2D-hBN is found to be an effective electrocatalyst in the simultaneous detection of DA and UA at both pH 5.0 and 7.4. The peak separations/resolution between DA and UA increases by ∼70 and 50 mV (at pH 5.0 and 7.4, respectively, when utilizing 108 ng of 2D-hBN) compared to unmodified SPEs, with a particularly favorable response evident in pH 5.0, giving rise to a

  2. Determination of effective resonance energy for the 193Ir(n,γ)194Ir reaction by the cadmium ratio method

    NASA Astrophysics Data System (ADS)

    Budak, Mustafa Guray; Karadag, Mustafa; Yücel, Haluk

    2016-04-01

    In this work, the effective resonance energy, Ebarr -value for the 193Ir(n,γ)194Ir reaction was measured using cadmium ratio method. A dual monitor (197Au-98Mo), which has convenient resonance properties, was employed for characterization of the irradiation sites. Then analytical grade iridium oxide samples diluted with CaCO3 to lower neutron self-shielding effect stacked in small cylindrical Teflon boxes were irradiated once with a 1 mm thick Cd cylindrical box placed in a thermalized neutron field of an 241Am-Be neutron source then without it. The activities produced in samples during 193Ir(n,γ)194Ir reaction were measured using a p-type HPGe detector γ-ray spectrometer with a 44.8% relative efficiency. The correction factors for thermal, epithermal neutron self-shielding (Gth, Gepi), true coincidence summing (Fcoi) and gamma-ray self-absorption (Fs) effects were determined with appropriate approaches and programs. Thus, the experimental Ebarr -value was determined to be 2.65 ± 0.61 eV for 193Ir target nuclide. The recent data for Q0 and FCd values for Ebarr determination were based on k0-NAA online database. The present experimental Ebarr value was calculated and compared with more recent values for Q0 and FCd for 193Ir. Additionally, the Ebarr -values was theoretically calculated from the up-to-date resonance data obtained from ENDF/B VII library using two different approaches. Since there is no experimentally determined Ebarr -value for the 193Ir isotope, the results are compared with the calculated ones given in the literature.

  3. Alpha proton x ray spectrometer

    NASA Technical Reports Server (NTRS)

    Rieder, Rudi; Waeke, H.; Economou, T.

    1994-01-01

    Mars Pathfinder will carry an alpha-proton x ray spectrometer (APX) for the determination of the elemental chemical composition of Martian rocks and soils. The instrument will measure the concentration of all major and some minor elements, including C, N, and O at levels above typically 1 percent.

  4. Convex Diffraction Grating Imaging Spectrometer

    NASA Technical Reports Server (NTRS)

    Chrisp, Michael P. (Inventor)

    1999-01-01

    A 1:1 Offner mirror system for imaging off-axis objects is modified by replacing a concave spherical primary mirror that is concentric with a convex secondary mirror with two concave spherical mirrors M1 and M2 of the same or different radii positioned with their respective distances d1 and d2 from a concentric convex spherical diffraction grating having its grooves parallel to the entrance slit of the spectrometer which replaces the convex secondary mirror. By adjusting their distances d1 and d2 and their respective angles of reflection alpha and beta, defined as the respective angles between their incident and reflected rays, all aberrations are corrected without the need to increase the spectrometer size for a given entrance slit size to reduce astigmatism, thus allowing the imaging spectrometer volume to be less for a given application than would be possible with conventional imaging spectrometers and still give excellent spatial and spectral imaging of the slit image spectra over the focal plane.

  5. IPNS-I chopper spectrometers

    SciTech Connect

    Price, D.L.; Carpenter, J.M.; Pelizzari, C.A.; Sinha, S.K.; Bresof, I.; Ostrowski, G.E.

    1982-01-01

    We briefly describe the layout and operation of the two chopper experiments at IPNS-I. The recent measurement on solid /sup 4/He by Hilleke et al. provides examples of time-of-flight data from the Low Resolution Chopper Spectrometer.

  6. Time of flight mass spectrometer

    DOEpatents

    Ulbricht, Jr., William H.

    1984-01-01

    A time-of-flight mass spectrometer is described in which ions are desorbed from a sample by nuclear fission fragments, such that desorption occurs at the surface of the sample impinged upon by the fission fragments. This configuration allows for the sample to be of any thickness, and eliminates the need for complicated sample preparation.

  7. MICE Spectrometer Magnet System Progress

    SciTech Connect

    Green, Michael A.; Virostek, Steve P.

    2007-08-27

    The first magnets for the muon ionization cooling experimentwill be the tracker solenoids that form the ends of the MICE coolingchannel. The primary purpose of the tracker solenoids is to provide auniform 4 T field (to better than +-0.3 percent over a volume that is 1meter long and 0.3 meters in diameter) spectrometer magnet field for thescintillating fiber detectors that are used to analyze the muons in thechannel before and after ionization cooling. A secondary purpose for thetracker magnet is the matching of the muon beam between the rest of theMICE cooling channel and the uniform field spectrometer magnet. Thetracker solenoid is powered by three 300 amp power supplies. Additionaltuning of the spectrometer is provided by a pair of 50 amp power suppliesacross the spectrometer magnet end coils. The tracker magnet will becooled using a pair of 4 K pulse tube coolers that each provide 1.5 W ofcooling at 4.2 K. Final design and construction of the tracker solenoidsbegan during the summer of 2006. This report describes the progress madeon the construction of the tracker solenoids.

  8. Mid infrared MEMS FTIR spectrometer

    NASA Astrophysics Data System (ADS)

    Erfan, Mazen; Sabry, Yasser M.; Mortada, Bassem; Sharaf, Khaled; Khalil, Diaa

    2016-03-01

    In this work we report, for the first time to the best of our knowledge, a bulk-micromachined wideband MEMS-based spectrometer covering both the NIR and the MIR ranges and working from 1200 nm to 4800 nm. The core engine of the spectrometer is a scanning Michelson interferometer micro-fabricated using deep reactive ion etching (DRIE) technology. The spectrum is obtained using the Fourier Transform techniques that allows covering a very wide spectral range limited by the detector responsivity. The moving mirror of the interferometer is driven by a relatively large stroke electrostatic comb-drive actuator. Zirconium fluoride (ZrF4) multimode optical fibers are used to connect light between the white light source and the interferometer input, as well as the interferometer output to a PbSe photoconductive detector. The recorded signal-to-noise ratio is 25 dB at the wavelength of 3350 nm. The spectrometer is successfully used in measuring the absorption spectra of methylene chloride, quartz glass and polystyrene film. The presented solution provides a low cost method for producing miniaturized spectrometers in the near-/mid-infrared.

  9. Airborne spectrometer senses several gases

    NASA Technical Reports Server (NTRS)

    Mc Dowall, J.; Moffat, A. J.

    1970-01-01

    Spectrometer's variable shutter permits observation of a wide range of plume widths. Adjustable grating, counter, and access window enable operator to reset grating's position during flight by resetting the counter to a predetermined number. Quartz correlation mask and spectral-aperture instrument-function filter are mounted in a replaceable precision frame.

  10. Regulation of ligands for the activating receptor NKG2D

    PubMed Central

    Mistry, Anita R; O'Callaghan, Chris A

    2007-01-01

    The outcome of an encounter between a cytotoxic cell and a potential target cell depends on the balance of signals from inhibitory and activating receptors. Natural Killer group 2D (NKG2D) has recently emerged as a major activating receptor on T lymphocytes and natural killer cells. In both humans and mice, multiple different genes encode ligands for NKG2D, and these ligands are non-classical major histocompatibility complex class I molecules. The NKG2D–ligand interaction triggers an activating signal in the cell expressing NKG2D and this promotes cytotoxic lysis of the cell expressing the ligand. Most normal tissues do not express ligands for NKG2D, but ligand expression has been documented in tumour and virus-infected cells, leading to lysis of these cells. Tight regulation of ligand expression is important. If there is inappropriate expression in normal tissues, this will favour autoimmune processes, whilst failure to up-regulate the ligands in pathological conditions would favour cancer development or dissemination of intracellular infection. PMID:17614877

  11. Rotation invariance principles in 2D/3D registration

    NASA Astrophysics Data System (ADS)

    Birkfellner, Wolfgang; Wirth, Joachim; Burgstaller, Wolfgang; Baumann, Bernard; Staedele, Harald; Hammer, Beat; Gellrich, Niels C.; Jacob, Augustinus L.; Regazzoni, Pietro; Messmer, Peter

    2003-05-01

    2D/3D patient-to-computed tomography (CT) registration is a method to determine a transformation that maps two coordinate systems by comparing a projection image rendered from CT to a real projection image. Applications include exact patient positioning in radiation therapy, calibration of surgical robots, and pose estimation in computer-aided surgery. One of the problems associated with 2D/3D registration is the fast that finding a registration includes sovling a minimization problem in six degrees-of-freedom in motion. This results in considerable time expenses since for each iteration step at least one volume rendering has to be computed. We show that by choosing an appropriate world coordinate system and by applying a 2D/2D registration method in each iteration step, the number of iterations can be grossly reduced from n6 to n5. Here, n is the number of discrete variations aroudn a given coordinate. Depending on the configuration of the optimization algorithm, this reduces the total number of iterations necessary to at least 1/3 of its original value. The method was implemented and extensively tested on simulated x-ray images of a pelvis. We conclude that this hardware-indepenent optimization of 2D/3D registration is a step towards increasing the acceptance of this promising method for a wide number of clinical applications.

  12. 2D nanostructures for water purification: graphene and beyond.

    PubMed

    Dervin, Saoirse; Dionysiou, Dionysios D; Pillai, Suresh C

    2016-08-18

    Owing to their atomically thin structure, large surface area and mechanical strength, 2D nanoporous materials are considered to be suitable alternatives for existing desalination and water purification membrane materials. Recent progress in the development of nanoporous graphene based materials has generated enormous potential for water purification technologies. Progress in the development of nanoporous graphene and graphene oxide (GO) membranes, the mechanism of graphene molecular sieve action, structural design, hydrophilic nature, mechanical strength and antifouling properties and the principal challenges associated with nanopore generation are discussed in detail. Subsequently, the recent applications and performance of newly developed 2D materials such as 2D boron nitride (BN) nanosheets, graphyne, molybdenum disulfide (MoS2), tungsten chalcogenides (WS2) and titanium carbide (Ti3C2Tx) are highlighted. In addition, the challenges affecting 2D nanostructures for water purification are highlighted and their applications in the water purification industry are discussed. Though only a few 2D materials have been explored so far for water treatment applications, this emerging field of research is set to attract a great deal of attention in the near future.

  13. 2D Materials for Optical Modulation: Challenges and Opportunities.

    PubMed

    Yu, Shaoliang; Wu, Xiaoqin; Wang, Yipei; Guo, Xin; Tong, Limin

    2017-02-21

    Owing to their atomic layer thickness, strong light-material interaction, high nonlinearity, broadband optical response, fast relaxation, controllable optoelectronic properties, and high compatibility with other photonic structures, 2D materials, including graphene, transition metal dichalcogenides and black phosphorus, have been attracting increasing attention for photonic applications. By tuning the carrier density via electrical or optical means that modifies their physical properties (e.g., Fermi level or nonlinear absorption), optical response of the 2D materials can be instantly changed, making them versatile nanostructures for optical modulation. Here, up-to-date 2D material-based optical modulation in three categories is reviewed: free-space, fiber-based, and on-chip configurations. By analysing cons and pros of different modulation approaches from material and mechanism aspects, the challenges faced by using these materials for device applications are presented. In addition, thermal effects (e.g., laser induced damage) in 2D materials, which are critical to practical applications, are also discussed. Finally, the outlook for future opportunities of these 2D materials for optical modulation is given.

  14. 2D DIGE saturation labeling for minute sample amounts.

    PubMed

    Arnold, Georg J; Fröhlich, Thomas

    2012-01-01

    The 2D DIGE technique, based on fluorophores covalently linked to amino acid side chain residues and the concept of an internal standard, has significantly improved reproducibility, sensitivity, and the dynamic range of protein quantification. In saturation DIGE, sulfhydryl groups of cysteines are labeled with cyanine dyes to completion, providing a so far unraveled sensitivity for protein detection and quantification in 2D gel-based proteomic experiments. Only a few micrograms of protein per 2D gel facilitate the analysis of about 2,000 analytes from complex mammalian cell or tissue samples. As a consequence, 2D saturation DIGE is the method of choice when only minute sample amounts are available for quantitative proteome analysis at the level of proteins rather than peptides. Since very low amounts of samples have to be handled in a reproducible manner, saturation DIGE-based proteomic experiments are technically demanding. Moreover, successful saturation DIGE approaches require a strict adherence to adequate reaction conditions at each step. This chapter is dedicated to colleagues already experienced in 2D PAGE protein separation and intends to support the establishment of this ultrasensitive technique in proteomic workgroups. We provide basic guidelines for the experimental design and discuss crucial aspects concerning labeling chemistry, sample preparation, and pitfalls caused by labeling artifacts. A detailed step-by-step protocol comprises all aspects from initial sample preparation to image analysis and statistical evaluation. Furthermore, we describe the generation of preparative saturation DIGE gels necessary for mass spectrometry-based spot identification.

  15. Mermin–Wagner fluctuations in 2D amorphous solids

    PubMed Central

    Illing, Bernd; Fritschi, Sebastian; Kaiser, Herbert; Klix, Christian L.; Maret, Georg; Keim, Peter

    2017-01-01

    In a recent commentary, J. M. Kosterlitz described how D. Thouless and he got motivated to investigate melting and suprafluidity in two dimensions [Kosterlitz JM (2016) J Phys Condens Matter 28:481001]. It was due to the lack of broken translational symmetry in two dimensions—doubting the existence of 2D crystals—and the first computer simulations foretelling 2D crystals (at least in tiny systems). The lack of broken symmetries proposed by D. Mermin and H. Wagner is caused by long wavelength density fluctuations. Those fluctuations do not only have structural impact, but additionally a dynamical one: They cause the Lindemann criterion to fail in 2D in the sense that the mean squared displacement of atoms is not limited. Comparing experimental data from 3D and 2D amorphous solids with 2D crystals, we disentangle Mermin–Wagner fluctuations from glassy structural relaxations. Furthermore, we demonstrate with computer simulations the logarithmic increase of displacements with system size: Periodicity is not a requirement for Mermin–Wagner fluctuations, which conserve the homogeneity of space on long scales. PMID:28137872

  16. Sparse radar imaging using 2D compressed sensing

    NASA Astrophysics Data System (ADS)

    Hou, Qingkai; Liu, Yang; Chen, Zengping; Su, Shaoying

    2014-10-01

    Radar imaging is an ill-posed linear inverse problem and compressed sensing (CS) has been proved to have tremendous potential in this field. This paper surveys the theory of radar imaging and a conclusion is drawn that the processing of ISAR imaging can be denoted mathematically as a problem of 2D sparse decomposition. Based on CS, we propose a novel measuring strategy for ISAR imaging radar and utilize random sub-sampling in both range and azimuth dimensions, which will reduce the amount of sampling data tremendously. In order to handle 2D reconstructing problem, the ordinary solution is converting the 2D problem into 1D by Kronecker product, which will increase the size of dictionary and computational cost sharply. In this paper, we introduce the 2D-SL0 algorithm into the reconstruction of imaging. It is proved that 2D-SL0 can achieve equivalent result as other 1D reconstructing methods, but the computational complexity and memory usage is reduced significantly. Moreover, we will state the results of simulating experiments and prove the effectiveness and feasibility of our method.

  17. Mean flow and anisotropic cascades in decaying 2D turbulence

    NASA Astrophysics Data System (ADS)

    Liu, Chien-Chia; Cerbus, Rory; Gioia, Gustavo; Chakraborty, Pinaki

    2015-11-01

    Many large-scale atmospheric and oceanic flows are decaying 2D turbulent flows embedded in a non-uniform mean flow. Despite its importance for large-scale weather systems, the affect of non-uniform mean flows on decaying 2D turbulence remains unknown. In the absence of mean flow it is well known that decaying 2D turbulent flows exhibit the enstrophy cascade. More generally, for any 2D turbulent flow, all computational, experimental and field data amassed to date indicate that the spectrum of longitudinal and transverse velocity fluctuations correspond to the same cascade, signifying isotropy of cascades. Here we report experiments on decaying 2D turbulence in soap films with a non-uniform mean flow. We find that the flow transitions from the usual isotropic enstrophy cascade to a series of unusual and, to our knowledge, never before observed or predicted, anisotropic cascades where the longitudinal and transverse spectra are mutually independent. We discuss implications of our results for decaying geophysical turbulence.

  18. 2-D Clinostat for Simulated Microgravity Experiments with Arabidopsis Seedlings

    NASA Astrophysics Data System (ADS)

    Wang, Hui; Li, Xugang; Krause, Lars; Görög, Mark; Schüler, Oliver; Hauslage, Jens; Hemmersbach, Ruth; Kircher, Stefan; Lasok, Hanna; Haser, Thomas; Rapp, Katja; Schmidt, Jürgen; Yu, Xin; Pasternak, Taras; Aubry-Hivet, Dorothée; Tietz, Olaf; Dovzhenko, Alexander; Palme, Klaus; Ditengou, Franck Anicet

    2016-04-01

    Ground-based simulators of microgravity such as fast rotating 2-D clinostats are valuable tools to study gravity related processes. We describe here a versatile g-value-adjustable 2-D clinostat that is suitable for plant analysis. To avoid seedling adaptation to 1 g after clinorotation, we designed chambers that allow rapid fixation. A detailed protocol for fixation, RNA isolation and the analysis of selected genes is described. Using this clinostat we show that mRNA levels of LONG HYPOCOTYL 5 (HY5), MIZU-KUSSEI 1 (MIZ1) and microRNA MIR163 are down-regulated in 5-day-old Arabidopsis thaliana roots after 3 min and 6 min of clinorotation using a maximal reduced g-force of 0.02 g, hence demonstrating that this 2-D clinostat enables the characterization of early transcriptomic events during root response to microgravity. We further show that this 2-D clinostat is able to compensate the action of gravitational force as both gravitropic-dependent statolith sedimentation and subsequent auxin redistribution (monitoring D R5 r e v :: G F P reporter) are abolished when plants are clinorotated. Our results demonstrate that 2-D clinostats equipped with interchangeable growth chambers and tunable rotation velocity are suitable for studying how plants perceive and respond to simulated microgravity.

  19. Cleanliness evaluation of rough surfaces with diffuse IR reflectance

    NASA Technical Reports Server (NTRS)

    Pearson, L. H.

    1995-01-01

    Contamination on bonding surfaces has been determined to be a primary cause for degraded bond strength in certain solid rocket motor bondlines. Hydrocarbon and silicone based organic contaminants that are airborne or directly introduced to a surface are a significant source of contamination. Diffuse infrared (IR) reflectance has historically been used as an effective technique for detection of organic contaminants, however, common laboratory methods involving the use of a Fourier transform IR spectrometer (FTIR) are impractical for inspecting the large bonding surface areas found on solid rocket motors. Optical methods involving the use of acousto-optic tunable filters and fixed bandpass optical filters are recommended for increased data acquisition speed. Testing and signal analysis methods are presented which provide for simultaneous measurement of contamination concentration and roughness level on rough metal surfaces contaminated with hydrocarbons.

  20. Measuring the IR solar corona during the 2017 eclipse

    NASA Astrophysics Data System (ADS)

    Bryans, Paul; Hannigan, James; Philip, Judge; Larson, Brandon; Sewell, Scott; McIntire, Lauren

    2016-05-01

    On 21 August 2017 a total solar eclipse will pass across the continental United States, offering a unique opportunity to conduct scientific research of the solar atmosphere. With the light from the Sun eclipsed, the solar corona becomes visible in a way not possible when swamped by the light from the photosphere. The infrared (IR) spectrum of the corona, in particular, is predicted to contain some of the most magnetically sensitive spectral lines. However, no comprehensive survey of this spectral range has been carried out to date. Here, we describe a Fourier Transform Spectrometer, currently under construction at NCAR, to measure the IR spectrum from 2 to 12 microns. We will discuss the operation of the experiment, which will be deployed along the path of totality in Wyoming, and the scientific results we hope to obtain.

  1. Laser Magneto-Optic Rotation Spectrometer (LMORS)

    DTIC Science & Technology

    1998-01-01

    traditional method of measuring atomic concentrations uses atomic absorption spectroscopy (AAS), herein referred to as an AAS 15 spectrometer...MOR spectrometer of the present invention. Fig. 2 illustrates a calibration curve for a conventional 10 atomic absorption spectroscopy (AAS

  2. Secretory pathways generating immunosuppressive NKG2D ligands

    PubMed Central

    Baragaño Raneros, Aroa; Suarez-Álvarez, Beatriz; López-Larrea, Carlos

    2014-01-01

    Natural Killer Group 2 member D (NKG2D) activating receptor, present on the surface of various immune cells, plays an important role in activating the anticancer immune response by their interaction with stress-inducible NKG2D ligands (NKG2DL) on transformed cells. However, cancer cells have developed numerous mechanisms to evade the immune system via the downregulation of NKG2DL from the cell surface, including the release of NKG2DL from the cell surface in a soluble form. Here, we review the mechanisms involved in the production of soluble NKG2DL (sNKG2DL) and the potential therapeutic strategies aiming to block the release of these immunosuppressive ligands. Therapeutically enabling the NKG2D-NKG2DL interaction would promote immunorecognition of malignant cells, thus abrogating disease progression. PMID:25050215

  3. Splashing transients of 2D plasmons launched by swift electrons

    PubMed Central

    Lin, Xiao; Kaminer, Ido; Shi, Xihang; Gao, Fei; Yang, Zhaoju; Gao, Zhen; Buljan, Hrvoje; Joannopoulos, John D.; Soljačić, Marin; Chen, Hongsheng; Zhang, Baile

    2017-01-01

    Launching of plasmons by swift electrons has long been used in electron energy–loss spectroscopy (EELS) to investigate the plasmonic properties of ultrathin, or two-dimensional (2D), electron systems. However, the question of how a swift electron generates plasmons in space and time has never been answered. We address this issue by calculating and demonstrating the spatial-temporal dynamics of 2D plasmon generation in graphene. We predict a jet-like rise of excessive charge concentration that delays the generation of 2D plasmons in EELS, exhibiting an analog to the hydrodynamic Rayleigh jet in a splashing phenomenon before the launching of ripples. The photon radiation, analogous to the splashing sound, accompanies the plasmon emission and can be understood as being shaken off by the Rayleigh jet–like charge concentration. Considering this newly revealed process, we argue that previous estimates on the yields of graphene plasmons in EELS need to be reevaluated. PMID:28138546

  4. Available information in 2D motional Stark effect imaging.

    PubMed

    Creese, Mathew; Howard, John

    2010-10-01

    Recent advances in imaging techniques have allowed the extension of the standard polarimetric 1D motional Stark effect (MSE) diagnostic to 2D imaging of the internal magnetic field of fusion devices [J. Howard, Plasma Phys. Controlled Fusion 50, 125003 (2008)]. This development is met with the challenge of identifying and extracting the new information, which can then be used to increase the accuracy of plasma equilibrium and current density profile determinations. This paper develops a 2D analysis of the projected MSE polarization orientation and Doppler phase shift. It is found that, for a standard viewing position, the 2D MSE imaging system captures sufficient information to allow imaging of the internal vertical magnetic field component B(Z)(r,z) in a tokamak.

  5. Perception-based reversible watermarking for 2D vector maps

    NASA Astrophysics Data System (ADS)

    Men, Chaoguang; Cao, Liujuan; Li, Xiang

    2010-07-01

    This paper presents an effective and reversible watermarking approach for digital copyright protection of 2D-vector maps. To ensure that the embedded watermark is insensitive for human perception, we only select the noise non-sensitive regions for watermark embedding by estimating vertex density within each polyline. To ensure the exact recovery of original 2D-vector map after watermark extraction, we introduce a new reversible watermarking scheme based on reversible high-frequency wavelet coefficients modification. Within the former-selected non-sensitive regions, our watermarking operates on the lower-order vertex coordinate decimals with integer wavelet transform. Such operation further reduces the visual distortion caused by watermark embedding. We have validated the effectiveness of our scheme on our real-world city river/building 2D-vector maps. We give extensive experimental comparisons with state-of-the-art methods, including embedding capability, invisibility, and robustness over watermark attacking.

  6. Microscale 2D separation systems for proteomic analysis

    PubMed Central

    Xu, Xin; Liu, Ke; Fan, Z. Hugh

    2012-01-01

    Microscale 2D separation systems have been implemented in capillaries and microfabricated channels. They offer advantages of faster analysis, higher separation efficiency and less sample consumption than the conventional methods, such as liquid chromatography (LC) in a column and slab gel electrophoresis. In this article, we review their recent advancement, focusing on three types of platforms, including 2D capillary electrophoresis (CE), CE coupling with capillary LC, and microfluidic devices. A variety of CE and LC modes have been employed to construct 2D separation systems via sophistically designed interfaces. Coupling of different separation modes has also been realized in a number of microfluidic devices. These separation systems have been applied for the proteomic analysis of various biological samples, ranging from a single cell to tumor tissues. PMID:22462786

  7. 2D materials for photon conversion and nanophotonics

    NASA Astrophysics Data System (ADS)

    Tahersima, Mohammad H.; Sorger, Volker J.

    2015-09-01

    The field of two-dimensional (2D) materials has the potential to enable unique applications across a wide range of the electromagnetic spectrum. While 2D-layered materials hold promise for next-generation photon-conversion intrinsic limitations and challenges exist that shall be overcome. Here we discuss the intrinsic limitations as well as application opportunities of this new class of materials, and is sponsored by the NSF program Designing Materials to Revolutionize and Engineer our Future (DMREF) program, which links to the President's Materials Genome Initiative. We present general material-related details for photon conversion, and show that taking advantage of the mechanical flexibility of 2D materials by rolling MoS2/graphene/hexagonal boron nitride stack to a spiral solar cell allows for solar absorption up to 90%.

  8. Rapid-scan coherent 2D fluorescence spectroscopy.

    PubMed

    Draeger, Simon; Roeding, Sebastian; Brixner, Tobias

    2017-02-20

    We developed pulse-shaper-assisted coherent two-dimensional (2D) electronic spectroscopy in liquids using fluorescence detection. A customized pulse shaper facilitates shot-to-shot modulation at 1 kHz and is employed for rapid scanning over all time delays. A full 2D spectrum with 15 × 15 pixels is obtained in approximately 6 s of measurement time (plus further averaging if needed). Coherent information is extracted from the incoherent fluorescence signal via 27-step phase cycling. We exemplify the technique on cresyl violet in ethanol and recover literature-known oscillations as a function of population time. Signal-to-noise behavior is analyzed as a function of the amount of averaging. Rapid scanning provides a 2D spectrum with a root-mean-square error of < 0.05 after 1 min of measurement time.

  9. 2D-3D transition of gold cluster anions resolved

    NASA Astrophysics Data System (ADS)

    Johansson, Mikael P.; Lechtken, Anne; Schooss, Detlef; Kappes, Manfred M.; Furche, Filipp

    2008-05-01

    Small gold cluster anions Aun- are known for their unusual two-dimensional (2D) structures, giving rise to properties very different from those of bulk gold. Previous experiments and calculations disagree about the number of gold atoms nc where the transition to 3D structures occurs. We combine trapped ion electron diffraction and state of the art electronic structure calculations to resolve this puzzle and establish nc=12 . It is shown that theoretical studies using traditional generalized gradient functionals are heavily biased towards 2D structures. For a correct prediction of the 2D-3D crossover point it is crucial to use density functionals yielding accurate jellium surface energies, such as the Tao-Perdew-Staroverov-Scuseria (TPSS) functional or the Perdew-Burke-Ernzerhof functional modified for solids (PBEsol). Further, spin-orbit effects have to be included, and large, flexible basis sets employed. This combined theoretical-experimental approach is promising for larger gold and other metal clusters.

  10. IUPAP Award: Ion transport in 2D materials

    NASA Astrophysics Data System (ADS)

    Bao, Wenzhong

    Intercalation in 2D materials drastically influences both physical and chemical properties, which leads to a new degree of freedom for fundamental studies and expands the potential applications of 2D materials. In this talk, I will discuss our work in the past two years related to ion intercalation of 2D materials, including insertion of Li and Na ions in graphene and MoS2. We focused on both fundamental mechanism and potential application, e.g. we measured in-situ optical transmittance spectra and electrical transport properties of few-layer graphene (FLG) nanostructures upon electrochemical lithiation/delithiation. By observing a simultaneous increase of both optical transmittance and DC conductivity, strikingly different from other materials, we proposed its application as a next generation transparent electrode.

  11. Genetics, genomics, and evolutionary biology of NKG2D ligands.

    PubMed

    Carapito, Raphael; Bahram, Seiamak

    2015-09-01

    Human and mouse NKG2D ligands (NKG2DLs) are absent or only poorly expressed by most normal cells but are upregulated by cell stress, hence, alerting the immune system in case of malignancy or infection. Although these ligands are numerous and highly variable (at genetic, genomic, structural, and biochemical levels), they all belong to the major histocompatibility complex class I gene superfamily and bind to a single, invariant, receptor: NKG2D. NKG2D (CD314) is an activating receptor expressed on NK cells and subsets of T cells that have a key role in the recognition and lysis of infected and tumor cells. Here, we review the molecular diversity of NKG2DLs, discuss the increasing appreciation of their roles in a variety of medical conditions, and propose several explanations for the evolutionary force(s) that seem to drive the multiplicity and diversity of NKG2DLs while maintaining their interaction with a single invariant receptor.

  12. Graphene based 2D-materials for supercapacitors

    NASA Astrophysics Data System (ADS)

    Palaniselvam, Thangavelu; Baek, Jong-Beom

    2015-09-01

    Ever-increasing energy demands and the depletion of fossil fuels are compelling humanity toward the development of suitable electrochemical energy conversion and storage devices to attain a more sustainable society with adequate renewable energy and zero environmental pollution. In this regard, supercapacitors are being contemplated as potential energy storage devices to afford cleaner, environmentally friendly energy. Recently, a great deal of attention has been paid to two-dimensional (2D) nanomaterials, including 2D graphene and its inorganic analogues (transition metal double layer hydroxides, chalcogenides, etc), as potential electrodes for the development of supercapacitors with high electrochemical performance. This review provides an overview of the recent progress in using these graphene-based 2D materials as potential electrodes for supercapacitors. In addition, future research trends including notable challenges and opportunities are also discussed.

  13. Chemical vapour deposition: Transition metal carbides go 2D

    DOE PAGES

    Gogotsi, Yury

    2015-08-17

    Here, the research community has been steadily expanding the family of few-atom-thick crystals beyond graphene, discovering new materials or producing known materials in a 2D state and demonstrating their unique properties1, 2. Recently, nanometre-thin 2D transition metal carbides have also joined this family3. Writing in Nature Materials, Chuan Xu and colleagues now report a significant advance in the field, showing the synthesis of large-area, high-quality, nanometre-thin crystals of molybdenum carbide that demonstrate low-temperature 2D superconductivity4. Moreover, they also show that other ultrathin carbide crystals, such as tungsten and tantalum carbides, can be grown by chemical vapour deposition with a highmore » crystallinity and very low defect concentration.« less

  14. Optoelectronics based on 2D TMDs and heterostructures

    NASA Astrophysics Data System (ADS)

    Huo, Nengjie; Yang, Yujue; Li, Jingbo

    2017-03-01

    2D materials including graphene and TMDs have proven interesting physical properties and promising optoelectronic applications. We reviewed the growth, characterization and optoelectronics based on 2D TMDs and their heterostructures, and demonstrated their unique and high quality of performances. For example, we observed the large mobility, fast response and high photo-responsivity in MoS2, WS2 and WSe2 phototransistors, as well as the novel performances in vdW heterostructures such as the strong interlayer coupling, am-bipolar and rectifying behaviour, and the obvious photovoltaic effect. It is being possible that 2D family materials could play an increasingly important role in the future nano- and opto-electronics, more even than traditional semiconductors such as silicon.

  15. Applications of Doppler Tomography in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Richards, M.; Budaj, J.; Agafonov, M.; Sharova, O.

    2010-12-01

    Over the past few years, the applications of Doppler tomography have been extended beyond the usual calculation of 2D velocity images of circumstellar gas flows. This technique has now been used with the new Shellspec spectrum synthesis code to demonstrate the effective modeling of the accretion disk and gas stream in the TT Hya Algol binary. The 2D tomography procedure projects all sources of emission onto a single central (Vx, Vy) velocity plane even though the gas is expected to flow beyond that plane. So, new 3D velocity images were derived with the Radioastronomical Approach method by assuming a grid of Vz values transverse to the central 2D plane. The 3D approach has been applied to the U CrB and RS Vul Algol-type binaries to reveal substantial flow structures beyond the central velocity plane.

  16. Chemical vapour deposition: Transition metal carbides go 2D

    SciTech Connect

    Gogotsi, Yury

    2015-08-17

    Here, the research community has been steadily expanding the family of few-atom-thick crystals beyond graphene, discovering new materials or producing known materials in a 2D state and demonstrating their unique properties1, 2. Recently, nanometre-thin 2D transition metal carbides have also joined this family3. Writing in Nature Materials, Chuan Xu and colleagues now report a significant advance in the field, showing the synthesis of large-area, high-quality, nanometre-thin crystals of molybdenum carbide that demonstrate low-temperature 2D superconductivity4. Moreover, they also show that other ultrathin carbide crystals, such as tungsten and tantalum carbides, can be grown by chemical vapour deposition with a high crystallinity and very low defect concentration.

  17. A quantitative mode-resolved frequency comb spectrometer.

    PubMed

    Hébert, Nicolas Bourbeau; Scholten, Sarah K; White, Richard T; Genest, Jérôme; Luiten, Andre N; Anstie, James D

    2015-06-01

    We have developed a frequency-comb spectrometer that records 35-nm (4 THz) spectra with 2-pm (250 MHz) spectral sampling and an absolute frequency accuracy of 2 kHz. We achieve a signal-to-noise ratio of ~400 in a measurement time of 8.2 s. The spectrometer is based on a commercial frequency comb decimated by a variable-length, low-finesse Fabry Pérot filter cavity to fully resolve the comb modes as imaged by a virtually imaged phased array (VIPA), diffraction grating and near-IR camera. By tuning the cavity length, spectra derived from all unique decimated combs are acquired and then interleaved to achieve frequency sampling at the comb repetition rate of 250 MHz. We have validated the performance of the spectrometer by comparison with a previous high-precision absorption measurement of H13C14N near 1543 nm. We find excellent agreement, with deviations from the expected line centers and widths of, at most, 1 pm (125 MHz) and 3 pm (360 MHz), respectively.

  18. Real-time 2-D temperature imaging using ultrasound.

    PubMed

    Liu, Dalong; Ebbini, Emad S

    2010-01-01

    We have previously introduced methods for noninvasive estimation of temperature change using diagnostic ultrasound. The basic principle was validated both in vitro and in vivo by several groups worldwide. Some limitations remain, however, that have prevented these methods from being adopted in monitoring and guidance of minimally invasive thermal therapies, e.g., RF ablation and high-intensity-focused ultrasound (HIFU). In this letter, we present first results from a real-time system for 2-D imaging of temperature change using pulse-echo ultrasound. The front end of the system is a commercially available scanner equipped with a research interface, which allows the control of imaging sequence and access to the RF data in real time. A high-frame-rate 2-D RF acquisition mode, M2D, is used to capture the transients of tissue motion/deformations in response to pulsed HIFU. The M2D RF data is streamlined to the back end of the system, where a 2-D temperature imaging algorithm based on speckle tracking is implemented on a graphics processing unit. The real-time images of temperature change are computed on the same spatial and temporal grid of the M2D RF data, i.e., no decimation. Verification of the algorithm was performed by monitoring localized HIFU-induced heating of a tissue-mimicking elastography phantom. These results clearly demonstrate the repeatability and sensitivity of the algorithm. Furthermore, we present in vitro results demonstrating the possible use of this algorithm for imaging changes in tissue parameters due to HIFU-induced lesions. These results clearly demonstrate the value of the real-time data streaming and processing in monitoring, and guidance of minimally invasive thermotherapy.

  19. Towards functional assembly of 3D and 2D nanomaterials

    NASA Astrophysics Data System (ADS)

    Jacobs, Christopher B.; Wang, Kai; Ievlev, Anton V.; Muckley, Eric S.; Ivanov, Ilia N.

    2016-09-01

    Functional assemblies of materials can be realized by tuning the work function and band gap of nanomaterials by rational material selection and design. Here we demonstrate the structural assembly of 2D and 3D nanomaterials and show that layering a 2D material monolayer on a 3D metal oxide leads to substantial alteration of both the surface potential and optical properties of the 3D material. A 40 nm thick film of polycrystalline NiO was produced by room temperature rf-sputtering, resulting in a 3D nanoparticle assembly. Chemical vapor deposition (CVD) grown 10-30 μm WS2 flakes (2D material) were placed on the NiO surface using a PDMS stamp transfer technique. The 2D/3D WS2/NiO assembly was characterized using confocal micro Raman spectroscopy to evaluate the vibrational properties and using Kelvin probe force microscopy (KPFM) to evaluate the surface potential. Raman maps of the 2D/3D assembly show spatial non-uniformity of the A1g mode ( 418 cm-1) and the disorder-enhanced longitudinal acoustic mode, 2LA(M) ( 350 cm-1), suggesting that the WS2 exists in a strained condition on when transferred onto 3D polycrystalline NiO. KPFM measurements show that single layer WS2 on SiO2 has a surface potential 75 mV lower than that of SiO2, whereas the surface potential of WS2 on NiO is 15 mV higher than NiO, indicating that WS2 could act as electron donor or acceptor depending on the 3D material it is interfaced with. Thus 2D and 3D materials can be organized into functional assemblies with electron flow controlled by the WS2 either as the electron donor or acceptor.

  20. Sample rotating turntable kit for infrared spectrometers

    DOEpatents

    Eckels, Joel Del; Klunder, Gregory L.

    2008-03-04

    An infrared spectrometer sample rotating turntable kit has a rotatable sample cup containing the sample. The infrared spectrometer has an infrared spectrometer probe for analyzing the sample and the rotatable sample cup is adapted to receive the infrared spectrometer probe. A reflectance standard is located in the rotatable sample cup. A sleeve is positioned proximate the sample cup and adapted to receive the probe. A rotator rotates the rotatable sample cup. A battery is connected to the rotator.

  1. Electron/proton spectrometer certification documentation analyses

    NASA Technical Reports Server (NTRS)

    Gleeson, P.

    1972-01-01

    A compilation of analyses generated during the development of the electron-proton spectrometer for the Skylab program is presented. The data documents the analyses required by the electron-proton spectrometer verification plan. The verification plan was generated to satisfy the ancillary hardware requirements of the Apollo Applications program. The certification of the spectrometer requires that various tests, inspections, and analyses be documented, approved, and accepted by reliability and quality control personnel of the spectrometer development program.

  2. Tunable fiber laser based photoacoustic spectrometer for breath ammonia analysis during hemodialysis

    NASA Astrophysics Data System (ADS)

    Wang, J. W.; Xie, H.; Liang, L. R.; Zhang, W.; Peng, W.; Yu, Q. X.

    2011-11-01

    A photoacoustic (PA) spectrometer based on a near-IR tunable fiber laser is developed and used for breath ammonia analysis. We successfully measured the breath ammonia level variation of six patients with end-stage renal disease while they were undergoing hemodialysis in the hospital. The measurement results showed that the initial concentration level of the breath ammonia were from 1600 to 2200 ppb before dialysis treatment, the levels decreased to 200-600 ppb in the end stage of dialysis, which close to the levels of healthy persons. Further improvement and applications of this PA spectrometer are discussed.

  3. Improved rovibrational constants for the v7 = 1 state of ethylene-cis-1,2-d2 (cis-C2H2D2) by high-resolution synchrotron FTIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Ng, L. L.; Gabona, M. G.; Aruchunan, G.; Wong, Andy; Appadoo, Dominique R. T.; McNaughton, Don

    2017-01-01

    Using the far-infrared beamline of the Australian Synchrotron, the spectrum of the ν7 band of ethylene-cis-1,2-d2 (cis-C2H2D2) was recorded in the 640-990 cm-1 region at an unapodized resolution of 0.00096 cm-1. A rovibrational analysis of a total of 2823 infrared transitions of the ν7 band was carried out using an asymmetric rotor fitting program based on the Watson's A-reduced Hamiltonian in the Ir representation to derive up to four sextic constants with a rms deviation of 0.00035 cm-1. From the fitting of 2634 ground state combination differences (GSCDs) of cis-C2H2D2 which were derived from the infrared transitions of the ν7 band of this work, and ν10 and ν12 bands of previous studies, together with 22 microwave frequencies, accurate ground state constants of cis-C2H2D2 up to four sextic terms were obtained. The rotational constants (A, B, and C) of the v7 = 1 state of cis-C2H2D2 were found to agree within 0.5% with the calculated values using B3LYP/cc-pVTZ and MP2/cc-pVTZ levels of theory. From this work, the band center of ν7 at 842.209489(20) cm-1 and the rovibrational constants of the v7 = 1 state of cis-C2H2D2 were determined with better accuracy than previously reported.

  4. Laboratory Experiments On Continually Forced 2d Turbulence

    NASA Astrophysics Data System (ADS)

    Wells, M. G.; Clercx, H. J. H.; Van Heijst, G. J. F.

    There has been much recent interest in the advection of tracers by 2D turbulence in geophysical flows. While there is a large body of literature on decaying 2D turbulence or forced 2D turbulence in unbounded domains, there have been very few studies of forced turbulence in bounded domains. In this study we present new experimental results from a continuously forced quasi 2D turbulent field. The experiments are performed in a square Perspex tank filled with water. The flow is made quasi 2D by a steady background rotation. The rotation rate of the tank has a small (<8 %) sinusoidal perturbation which leads to the periodic formation of eddies in the corners of the tank. When the oscillation period of the perturbation is greater than an eddy roll-up time-scale, dipole structures are observed to form. The dipoles can migrate away from the walls, and the interior of the tank is continually filled with vortexs. From experimental visualizations the length scale of the vortexs appears to be largely controlled by the initial formation mechanism and large scale structures are not observed to form at large times. Thus the experiments provide a simple way of cre- ating a continuously forced 2D turbulent field. The resulting structures are in contrast with most previous laboratory experiments on 2D turbulence which have investigated decaying turbulence and have observed the formations of large scale structure. In these experiments, decaying turbulence had been produced by a variety of methods such as the decaying turbulence in the wake of a comb of rods (Massen et al 1999), organiza- tion of vortices in thin conducting liquids (Cardoso et al 1994) or in rotating systems where there are sudden changes in angular rotation rate (Konijnenberg et al 1998). Results of dye visualizations, particle tracking experiments and a direct numerical simulation will be presented and discussed in terms of their oceanographic application. Bibliography Cardoso,O. Marteau, D. &Tabeling, P

  5. 2dF grows up: Echidna for the AAT

    NASA Astrophysics Data System (ADS)

    McGrath, Andrew; Barden, Sam; Miziarski, Stan; Rambold, William; Smith, Greg

    2008-07-01

    We present the concept design of a new fibre positioner and spectrograph system for the Anglo-Australian Telescope, as a proposed enhancement to the Anglo-Australian Observatory's well-known 2dF facility. A four-fold multiplex enhancement is accomplished by replacing the 400-fibre 2dF fibre positioning robot with a 1600-fibre Echidna unit, feeding three clones of the AAOmega optical spectrograph. Such a facility has the capability of a redshift 1 survey of a large fraction of the southern sky, collecting five to ten thousand spectra per night for a million-galaxy survey.

  6. Noninvasive deep Raman detection with 2D correlation analysis

    NASA Astrophysics Data System (ADS)

    Kim, Hyung Min; Park, Hyo Sun; Cho, Youngho; Jin, Seung Min; Lee, Kang Taek; Jung, Young Mee; Suh, Yung Doug

    2014-07-01

    The detection of poisonous chemicals enclosed in daily necessaries is prerequisite essential for homeland security with the increasing threat of terrorism. For the detection of toxic chemicals, we combined a sensitive deep Raman spectroscopic method with 2D correlation analysis. We obtained the Raman spectra from concealed chemicals employing spatially offset Raman spectroscopy in which incident line-shaped light experiences multiple scatterings before being delivered to inner component and yielding deep Raman signal. Furthermore, we restored the pure Raman spectrum of each component using 2D correlation spectroscopic analysis with chemical inspection. Using this method, we could elucidate subsurface component under thick powder and packed contents in a bottle.

  7. Evaluation of 2D ceramic matrix composites in aeroconvective environments

    NASA Technical Reports Server (NTRS)

    Riccitiello, Salvatore R.; Love, Wendell L.; Balter-Peterson, Aliza

    1992-01-01

    An evaluation is conducted of a novel ceramic-matrix composite (CMC) material system for use in the aeroconvective-heating environments encountered by the nose caps and wing leading edges of such aerospace vehicles as the Space Shuttle, during orbit-insertion and reentry from LEO. These CMCs are composed of an SiC matrix that is reinforced with Nicalon, Nextel, or carbon refractory fibers in a 2D architecture. The test program conducted for the 2D CMCs gave attention to their subsurface oxidation.

  8. Radiative heat transfer in 2D Dirac materials.

    PubMed

    Rodriguez-López, Pablo; Tse, Wang-Kong; Dalvit, Diego A R

    2015-06-03

    We compute the radiative heat transfer between two sheets of 2D Dirac materials, including topological Chern insulators and graphene, within the framework of the local approximation for the optical response of these materials. In this approximation, which neglects spatial dispersion, we derive both numerically and analytically the short-distance asymptotic of the near-field heat transfer in these systems, and show that it scales as the inverse of the distance between the two sheets. Finally, we discuss the limitations to the validity of this scaling law imposed by spatial dispersion in 2D Dirac materials.

  9. Quantum process tomography by 2D fluorescence spectroscopy

    SciTech Connect

    Pachón, Leonardo A.; Marcus, Andrew H.; Aspuru-Guzik, Alán

    2015-06-07

    Reconstruction of the dynamics (quantum process tomography) of the single-exciton manifold in energy transfer systems is proposed here on the basis of two-dimensional fluorescence spectroscopy (2D-FS) with phase-modulation. The quantum-process-tomography protocol introduced here benefits from, e.g., the sensitivity enhancement ascribed to 2D-FS. Although the isotropically averaged spectroscopic signals depend on the quantum yield parameter Γ of the doubly excited-exciton manifold, it is shown that the reconstruction of the dynamics is insensitive to this parameter. Applications to foundational and applied problems, as well as further extensions, are discussed.

  10. Radiative heat transfer in 2D Dirac materials

    DOE PAGES

    Rodriguez-López, Pablo; Tse, Wang -Kong; Dalvit, Diego A. R.

    2015-05-12

    We compute the radiative heat transfer between two sheets of 2D Dirac materials, including topological Chern insulators and graphene, within the framework of the local approximation for the optical response of these materials. In this approximation, which neglects spatial dispersion, we derive both numerically and analytically the short-distance asymptotic of the near-field heat transfer in these systems, and show that it scales as the inverse of the distance between the two sheets. In conclusion, we discuss the limitations to the validity of this scaling law imposed by spatial dispersion in 2D Dirac materials.

  11. Experimental validation of equations for 2D DIC uncertainty quantification.

    SciTech Connect

    Reu, Phillip L.; Miller, Timothy J.

    2010-03-01

    Uncertainty quantification (UQ) equations have been derived for predicting matching uncertainty in two-dimensional image correlation a priori. These equations include terms that represent the image noise and image contrast. Researchers at the University of South Carolina have extended previous 1D work to calculate matching errors in 2D. These 2D equations have been coded into a Sandia National Laboratories UQ software package to predict the uncertainty for DIC images. This paper presents those equations and the resulting error surfaces for trial speckle images. Comparison of the UQ results with experimentally subpixel-shifted images is also discussed.

  12. Scale Invariance in 2D BCS-BEC Crossover

    NASA Astrophysics Data System (ADS)

    Sensarma, Rajdeep; Taylor, Edward; Randeria, Mohit

    2013-03-01

    In 2D BCS-BEC crossover, the frequency of the breathing mode in a harmonic trap, as well as the lower edge of the radio frequency spectroscopy response, show remarkable scale-invariance throughout the crossover regime, i.e. they are independent of the coupling constant. Using functional integral methods, we study the behaviour of these quantities in the 2D BCS-BEC crossover and comment on the possible reasons for this scale independence. RS was supported by DAE, Govt. of India. MR was supported by NSF Grant No. DMR-1006532. ET was supported by NSERC and the Canadian Institute for Advanced Research.

  13. Closed-shell and open-shell 2D nanographenes.

    PubMed

    Sun, Zhe; Wu, Jishan

    2014-01-01

    This chapter describes a series of two-dimensional (2D) expanded arene networks, also known as nanographenes, with either closed-shell or open-shell electronic structure in the ground state. These systems are further categorized into three classes on a basis of different edge structures: those with zigzag edges only, those with armchair edges only, and those possessing both. Distinctive physical properties of these 2D aromatic systems are closely related to their structural characteristics and provide great potential for them as materials for different applications.

  14. 2D Log-Gabor Wavelet Based Action Recognition

    NASA Astrophysics Data System (ADS)

    Li, Ning; Xu, De

    The frequency response of log-Gabor function matches well the frequency response of primate visual neurons. In this letter, motion-salient regions are extracted based on the 2D log-Gabor wavelet transform of the spatio-temporal form of actions. A supervised classification technique is then used to classify the actions. The proposed method is robust to the irregular segmentation of actors. Moreover, the 2D log-Gabor wavelet permits more compact representation of actions than the recent neurobiological models using Gabor wavelet.

  15. 2D molybdenum disulphide (2D-MoS2) modified electrodes explored towards the oxygen reduction reaction.

    PubMed

    Rowley-Neale, Samuel J; Fearn, Jamie M; Brownson, Dale A C; Smith, Graham C; Ji, Xiaobo; Banks, Craig E

    2016-08-21

    Two-dimensional molybdenum disulphide nanosheets (2D-MoS2) have proven to be an effective electrocatalyst, with particular attention being focused on their use towards increasing the efficiency of the reactions associated with hydrogen fuel cells. Whilst the majority of research has focused on the Hydrogen Evolution Reaction (HER), herein we explore the use of 2D-MoS2 as a potential electrocatalyst for the much less researched Oxygen Reduction Reaction (ORR). We stray from literature conventions and perform experiments in 0.1 M H2SO4 acidic electrolyte for the first time, evaluating the electrochemical performance of the ORR with 2D-MoS2 electrically wired/immobilised upon several carbon based electrodes (namely; Boron Doped Diamond (BDD), Edge Plane Pyrolytic Graphite (EPPG), Glassy Carbon (GC) and Screen-Printed Electrodes (SPE)) whilst exploring a range of 2D-MoS2 coverages/masses. Consequently, the findings of this study are highly applicable to real world fuel cell applications. We show that significant improvements in ORR activity can be achieved through the careful selection of the underlying/supporting carbon materials that electrically wire the 2D-MoS2 and utilisation of an optimal mass of 2D-MoS2. The ORR onset is observed to be reduced to ca. +0.10 V for EPPG, GC and SPEs at 2D-MoS2 (1524 ng cm(-2) modification), which is far closer to Pt at +0.46 V compared to bare/unmodified EPPG, GC and SPE counterparts. This report is the first to demonstrate such beneficial electrochemical responses in acidic conditions using a 2D-MoS2 based electrocatalyst material on a carbon-based substrate (SPEs in this case). Investigation of the beneficial reaction mechanism reveals the ORR to occur via a 4 electron process in specific conditions; elsewhere a 2 electron process is observed. This work offers valuable insights for those wishing to design, fabricate and/or electrochemically test 2D-nanosheet materials towards the ORR.

  16. Advanced Mass Spectrometers for Hydrogen Isotope Analyses

    SciTech Connect

    Chastagner, P.

    2001-08-01

    This report is a summary of the results of a joint Savannah River Laboratory (SRL) - Savannah River Plant (SRP) ''Hydrogen Isotope Mass Spectrometer Evaluation Program''. The program was undertaken to evaluate two prototype hydrogen isotope mass spectrometers and obtain sufficient data to permit SRP personnel to specify the mass spectrometers to replace obsolete instruments.

  17. Electron spectrometer for gas-phase spectroscopy

    SciTech Connect

    Bozek, J.D.; Schlachter, A.S.

    1997-04-01

    An electron spectrometer for high-resolution spectroscopy of gaseous samples using synchrotron radiation has been designed and constructed. The spectrometer consists of a gas cell, cylindrical electrostatic lens, spherical-sector electron energy analyzer, position-sensitive detector and associated power supplies, electronics and vacuum pumps. Details of the spectrometer design are presented together with some representative spectra.

  18. Rapid discrimination of cultivated Codonopsis lanceolata in different ages by FT-IR and 2DCOS-IR

    NASA Astrophysics Data System (ADS)

    Zhu, Yun; Xu, Chang-hua; Huang, Jian; Li, Guo-yu; Liu, Xin-Hu; Sun, Su-qin; Wang, Jin-hui

    2014-07-01

    Deodeok (Codonopsis lanceolata) root, a traditional Chinese herbal medicine, has been used to treat lung ailments, rheumatism, menstrual disturbance and bruises with a long history in China and some other Asian countries. In this study, four types of Deodeok with different growth years were discriminated and identified by a Tri-step infrared spectroscopy method (Fourier transform-infrared spectroscopy (conventional FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two dimensional correlation infrared spectroscopy(2DCOS-IR) under thermal perturbation. Although only small differences were found in the FT-IR spectra of the samples, the positions and intensities of peaks around 1736, 1634, 1246, 1055, 1033, 818, 779 cm-1 could be considered as the key factors for discriminating them. The differences among them were amplified by their SD-IR spectra. The 2DCOS-IR spectra provided obvious dynamic chemical structure information of Deodeok samples, which present different particular auto peak clusters in the range of 875-1130 cm-1 and 1170-1630 cm-1, respectively. It was demonstrated that the content of triterpene were decreasing when C. lanceolata were growing older, but the relative content of saccharides initially increased and decreased significantly afterwards. It indicated a general trend that the content of polysaccharides accumulated with increasing years. Specifically, the content of polysaccharides accumulated in the root of 2-year-old plant was the lowest, 4-years-old was the highest, and then the content decreased gradually. Furthermore, according to the differences of locations and intensities of auto-peaks in 2D-IR spectra, the integral changes of components were revealed. This study offers a promising method inherent with cost-effective and time-saving to characterize and discriminate the complicated system like Deodeok.

  19. Development of advanced x-ray imaging crystal spectrometer utilizing a large area segmented proportional counter for KSTAR

    SciTech Connect

    Lee, S. G.; Bak, J. G.; Nam, U. W.; Moon, M. K.; Cheon, J. K.

    2007-06-15

    An advanced x-ray imaging crystal spectrometer (XICS) for KSTAR tokamak has been developed by utilizing a segmented two dimensional (2D) position-sensitive multiwire proportional counter. The XICS for the KSTAR tokamak provides time-resolved measurements of the radial ion and electron temperature profiles, toroidal plasma rotation velocity, and ionization equilibrium. The segmented 2D detector with delay-line readout and supporting electronics has been adopted to improve the photon count rate capability. The current fabrication status of the XICS for the KSTAR tokamak and the first performance test results of the prototype segmented 2D detector are presented.

  20. Development of advanced x-ray imaging crystal spectrometer utilizing a large area segmented proportional counter for KSTAR

    NASA Astrophysics Data System (ADS)

    Lee, S. G.; Bak, J. G.; Nam, U. W.; Moon, M. K.; Cheon, J. K.

    2007-06-01

    An advanced x-ray imaging crystal spectrometer (XICS) for KSTAR tokamak has been developed by utilizing a segmented two dimensional (2D) position-sensitive multiwire proportional counter. The XICS for the KSTAR tokamak provides time-resolved measurements of the radial ion and electron temperature profiles, toroidal plasma rotation velocity, and ionization equilibrium. The segmented 2D detector with delay-line readout and supporting electronics has been adopted to improve the photon count rate capability. The current fabrication status of the XICS for the KSTAR tokamak and the first performance test results of the prototype segmented 2D detector are presented.

  1. Development of advanced x-ray imaging crystal spectrometer utilizing a large area segmented proportional counter for KSTAR.

    PubMed

    Lee, S G; Bak, J G; Nam, U W; Moon, M K; Cheon, J K

    2007-06-01

    An advanced x-ray imaging crystal spectrometer (XICS) for KSTAR tokamak has been developed by utilizing a segmented two dimensional (2D) position-sensitive multiwire proportional counter. The XICS for the KSTAR tokamak provides time-resolved measurements of the radial ion and electron temperature profiles, toroidal plasma rotation velocity, and ionization equilibrium. The segmented 2D detector with delay-line readout and supporting electronics has been adopted to improve the photon count rate capability. The current fabrication status of the XICS for the KSTAR tokamak and the first performance test results of the prototype segmented 2D detector are presented.

  2. Exploiting a Transmission Grating Spectrometer

    SciTech Connect

    Ronald E. Bell

    2004-12-08

    The availability of compact transmission grating spectrometers now allows an attractive and economical alternative to the more familiar Czerny-Turner configuration for many high-temperature plasma applications. Higher throughput is obtained with short focal length refractive optics and stigmatic imaging. Many more spectra can be obtained with a single spectrometer since smaller, more densely packed optical input fibers can be used. Multiple input slits, along with a bandpass filter, can be used to maximize the number of spectra per detector, providing further economy. Curved slits can correct for the strong image curvature of the short focal length optics. Presented here are the governing grating equations for both standard and high-dispersion transmission gratings, defining dispersion, image curvature, and desired slit curvature, that can be used in the design of improved plasma diagnostics.

  3. Portable Tandem Mass Spectrometer Analyzer

    DTIC Science & Technology

    1991-07-01

    The planned instrument was to be small enough to be portable in small vehicles and was to be able to use either an atmospheric pressure ion source or a...conventional electron impact/chemical ionization ion source. In order to accomplish these developments an atmospheric pressure ionization source was...developed for a compact, commercially available tandem quadrupole mass spectrometer. This ion source could be readily exchanged with the conventional

  4. Discrepant Results in a 2-D Marble Collision

    ERIC Educational Resources Information Center

    Kalajian, Peter

    2013-01-01

    Video analysis of 2-D collisions is an excellent way to investigate conservation of linear momentum. The often-desired experimental design goal is to minimize the momentum loss in order to demonstrate the conservation law. An air table with colliding pucks is an ideal medium for this experiment, but such equipment is beyond the budget of many…

  5. 2-D Finite Element Cable and Box IEMP Analysis

    SciTech Connect

    Scivner, G.J.; Turner, C.D.

    1998-12-17

    A 2-D finite element code has been developed for the solution of arbitrary geometry cable SGEMP and box IEMP problems. The quasi- static electric field equations with radiation- induced charge deposition and radiation-induced conductivity y are numerically solved on a triangular mesh. Multiple regions of different dielectric materials and multiple conductors are permitted.

  6. 2D Orthogonal Locality Preserving Projection for Image Denoising.

    PubMed

    Shikkenawis, Gitam; Mitra, Suman K

    2016-01-01

    Sparse representations using transform-domain techniques are widely used for better interpretation of the raw data. Orthogonal locality preserving projection (OLPP) is a linear technique that tries to preserve local structure of data in the transform domain as well. Vectorized nature of OLPP requires high-dimensional data to be converted to vector format, hence may lose spatial neighborhood information of raw data. On the other hand, processing 2D data directly, not only preserves spatial information, but also improves the computational efficiency considerably. The 2D OLPP is expected to learn the transformation from 2D data itself. This paper derives mathematical foundation for 2D OLPP. The proposed technique is used for image denoising task. Recent state-of-the-art approaches for image denoising work on two major hypotheses, i.e., non-local self-similarity and sparse linear approximations of the data. Locality preserving nature of the proposed approach automatically takes care of self-similarity present in the image while inferring sparse basis. A global basis is adequate for the entire image. The proposed approach outperforms several state-of-the-art image denoising approaches for gray-scale, color, and texture images.

  7. 2D signature for detection and identification of drugs

    NASA Astrophysics Data System (ADS)

    Trofimov, Vyacheslav A.; Varentsova, Svetlana A.; Shen, Jingling; Zhang, Cunlin; Zhou, Qingli; Shi, Yulei

    2011-06-01

    The method of spectral dynamics analysis (SDA-method) is used for obtaining the2D THz signature of drugs. This signature is used for the detection and identification of drugs with similar Fourier spectra by transmitted THz signal. We discuss the efficiency of SDA method for the identification problem of pure methamphetamine (MA), methylenedioxyamphetamine (MDA), 3, 4-methylenedioxymethamphetamine (MDMA) and Ketamine.

  8. Optoelectronics of supported and suspended 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Bolotin, Kirill

    2014-03-01

    Two-dimensional semiconductors, materials such monolayer molybdenum disulfide (MoS2) are characterized by strong spin-orbit and electron-electron interactions. However, both electronic and optoelectronic properties of these materials are dominated by disorder-related scattering. In this talk, we investigate approaches to reduce scattering and explore physical phenomena arising in intrinsic 2D semiconductors. First, we discuss fabrication of pristine suspended monolayer MoS2 and use photocurrent spectroscopy measurements to study excitons in this material. We observe band-edge and van Hove singularity excitons and estimate their binding energies. Furthermore, we study dissociation of these excitons and uncover the mechanism of their contribution to photoresponse of MoS2. Second, we study strain-induced modification of bandstructures of 2D semiconductors. With increasing strain, we find large and controllable band gap reduction of both single- and bi-layer MoS2. We also detect experimental signatures consistent with strain-induced transition from direct to indirect band gap in monolayer MoS2. Finally, we fabricate heterostructures of dissimilar 2D semiconductors and study their photoresponse. For closely spaced 2D semiconductors we detect charge transfer, while for separation larger than 10nm we observe Forster-like energy transfer between excitations in different layers.

  9. Graphene band structure and its 2D Raman mode

    NASA Astrophysics Data System (ADS)

    Narula, Rohit; Reich, Stephanie

    2014-08-01

    High-precision simulations are used to generate the 2D Raman mode of graphene under a range of screening conditions and laser energies EL. We reproduce the decreasing trend of the 2D mode FWHM vs EL and the nearly linearly increasing dispersion ∂ω2D/∂EL seen experimentally in freestanding (unscreened) graphene, and propose relations between these experimentally accessible quantities and the local, two-dimensional gradients |∇ | of the electronic and TO phonon bands. In light of state-of-the-art electronic structure calculations that acutely treat the long-range e-e interactions of isolated graphene and its experimentally observed 2D Raman mode, our calculations determine a 40% greater slope of the TO phonons about K than given by explicit phonon measurements performed in graphite or GW phonon calculations in graphene. We also deduce the variation of the broadening energy γ [EL] for freestanding graphene and find a nominal value γ ˜140 meV, showing a gradually increasing trend for the range of frequencies available experimentally.

  10. Development of a MEMS 2D separations device

    NASA Astrophysics Data System (ADS)

    Bloschock, Kristen P.; Flyer, Jonathan N.; Schneider, Thomas W.; Hussam, Abul; Van Keuren, Edward R.

    2004-12-01

    A polymer based biochip for rapid 2D separations of peptides, proteins, and other biomedically relevant molecules was designed and fabricated. Like traditional 2D polyacrylamide gel electrophoresis (2D-PAGE) methods, the device will allow molecules to separate based on isoelectric point (pI) and molecular weight (MW). Our design, however, integrates both an initial capillary isoelectric focusing (cIEF) step followed by capillary electrophoresis (CE) in multiple parallel channels, all on a single microfluidic chip. Not only is the "lab-on-a-chip" design easier to use and less expensive, but the miniaturization of the device produces very rapid separations. Compared to traditional 2D-PAGE, which can take hours to complete, we estimate separation times on the order of seconds. Fluorescence detection will be used in the preliminary stages of testing, but the device also is equipped with integrated electrodes in the electrophoresis channels to perform multiplexed electrochemical detection for quantitative analysis. We will present preliminary results of the chip development and testing.

  11. The 2dF Galaxy Redshift Survey: Preliminary Results

    NASA Astrophysics Data System (ADS)

    Maddox, Steve; 2DF Galaxy Redshift Survey Team; Bland-Hawthorn, Joss; Cannon, Russell; Cole, Shaun; Colless, Matthew; Collins, Chris; Couch, Warrick; Dalton, Gavin; Driver, Simon; Ellis, Richard; Efstathiou, George; Folkes, Simon; Frenk, Carlos; Glazebrook, Karl; Kaiser, Nick; Lahav, Ofer; Lumsden, Stuart; Peterson, Bruce; Peacock, John; Sutherland, Will; Taylor, Keith

    Spectroscopic observations for a new survey of 250 000 galaxy redshifts are underway, using the 2dF instrument at the AAT. The input galaxy catalogue and commissioning data are described. The first result from the preliminary data is a new estimate of the galaxy luminosity function at = 0.1.

  12. Volume Calculation of Venous Thrombosis Using 2D Ultrasound Images.

    PubMed

    Dhibi, M; Puentes, J; Bressollette, L; Guias, B; Solaiman, B

    2005-01-01

    Venous thrombosis screening exams use 2D ultrasound images, from which medical experts obtain a rough idea of the thrombosis aspect and infer an approximate volume. Such estimation is essential to follow up the thrombosis evolution. This paper proposes a method to calculate venous thrombosis volume from non-parallel 2D ultrasound images, taking advantage of a priori knowledge about the thrombosis shape. An interactive ellipse fitting contour segmentation extracts the 2D thrombosis contours. Then, a Delaunay triangulation is applied to the set of 2D segmented contours positioned in 3D, and the area that each contour defines, to obtain a global thrombosis 3D surface reconstruction, with a dense triangulation inside the contours. Volume is calculated from the obtained surface and contours triangulation, using a maximum unit normal component approach. Preliminary results obtained on 3 plastic phantoms and 3 in vitro venous thromboses, as well as one in vivo case are presented and discussed. An error rate of volume estimation inferior to 4,5% for the plastic phantoms, and 3,5% for the in vitro venous thromboses was obtained.

  13. ELLIPT2D: A Flexible Finite Element Code Written Python

    SciTech Connect

    Pletzer, A.; Mollis, J.C.

    2001-03-22

    The use of the Python scripting language for scientific applications and in particular to solve partial differential equations is explored. It is shown that Python's rich data structure and object-oriented features can be exploited to write programs that are not only significantly more concise than their counter parts written in Fortran, C or C++, but are also numerically efficient. To illustrate this, a two-dimensional finite element code (ELLIPT2D) has been written. ELLIPT2D provides a flexible and easy-to-use framework for solving a large class of second-order elliptic problems. The program allows for structured or unstructured meshes. All functions defining the elliptic operator are user supplied and so are the boundary conditions, which can be of Dirichlet, Neumann or Robbins type. ELLIPT2D makes extensive use of dictionaries (hash tables) as a way to represent sparse matrices.Other key features of the Python language that have been widely used include: operator over loading, error handling, array slicing, and the Tkinter module for building graphical use interfaces. As an example of the utility of ELLIPT2D, a nonlinear solution of the Grad-Shafranov equation is computed using a Newton iterative scheme. A second application focuses on a solution of the toroidal Laplace equation coupled to a magnetohydrodynamic stability code, a problem arising in the context of magnetic fusion research.

  14. Rheological Properties of Quasi-2D Fluids in Microgravity

    NASA Technical Reports Server (NTRS)

    Stannarius, Ralf; Trittel, Torsten; Eremin, Alexey; Harth, Kirsten; Clark, Noel; Maclennan, Joseph; Glaser, Matthew; Park, Cheol; Hall, Nancy; Tin, Padetha

    2015-01-01

    In recent years, research on complex fluids and fluids in restricted geometries has attracted much attention in the scientific community. This can be attributed not only to the development of novel materials based on complex fluids but also to a variety of important physical phenomena which have barely been explored. One example is the behavior of membranes and thin fluid films, which can be described by two-dimensional (2D) rheology behavior that is quite different from 3D fluids. In this study, we have investigated the rheological properties of freely suspended films of a thermotropic liquid crystal in microgravity experiments. This model system mimics isotropic and anisotropic quasi 2D fluids [46]. We use inkjet printing technology to dispense small droplets (inclusions) onto the film surface. The motion of these inclusions provides information on the rheological properties of the films and allows the study of a variety of flow instabilities. Flat films have been investigated on a sub-orbital rocket flight and curved films (bubbles) have been studied in the ISS project OASIS. Microgravity is essential when the films are curved in order to avoid sedimentation. The experiments yield the mobility of the droplets in the films as well as the mutual mobility of pairs of particles. Experimental results will be presented for 2D-isotropic (smectic-A) and 2D-nematic (smectic-C) phases.

  15. Validation and testing of the VAM2D computer code

    SciTech Connect

    Kool, J.B.; Wu, Y.S. )

    1991-10-01

    This document describes two modeling studies conducted by HydroGeoLogic, Inc. for the US NRC under contract no. NRC-04089-090, entitled, Validation and Testing of the VAM2D Computer Code.'' VAM2D is a two-dimensional, variably saturated flow and transport code, with applications for performance assessment of nuclear waste disposal. The computer code itself is documented in a separate NUREG document (NUREG/CR-5352, 1989). The studies presented in this report involve application of the VAM2D code to two diverse subsurface modeling problems. The first one involves modeling of infiltration and redistribution of water and solutes in an initially dry, heterogeneous field soil. This application involves detailed modeling over a relatively short, 9-month time period. The second problem pertains to the application of VAM2D to the modeling of a waste disposal facility in a fractured clay, over much larger space and time scales and with particular emphasis on the applicability and reliability of using equivalent porous medium approach for simulating flow and transport in fractured geologic media. Reflecting the separate and distinct nature of the two problems studied, this report is organized in two separate parts. 61 refs., 31 figs., 9 tabs.

  16. NKG2D ligands mediate immunosurveillance of senescent cells

    PubMed Central

    Moshayev, Zhana; Vadai, Ezra; Wensveen, Felix; Ben-Dor, Shifra; Golani, Ofra; Polic, Bojan; Krizhanovsky, Valery

    2016-01-01

    Cellular senescence is a stress response mechanism that limits tumorigenesis and tissue damage. Induction of cellular senescence commonly coincides with an immunogenic phenotype that promotes self-elimination by components of the immune system, thereby facilitating tumor suppression and limiting excess fibrosis during wound repair. The mechanisms by which senescent cells regulate their immune surveillance are not completely understood. Here we show that ligands of an activating Natural Killer (NK) cell receptor (NKG2D), MICA and ULBP2 are consistently up-regulated following induction of replicative senescence, oncogene-induced senescence and DNA damage - induced senescence. MICA and ULBP2 proteins are necessary for efficient NK-mediated cytotoxicity towards senescent fibroblasts. The mechanisms regulating the initial expression of NKG2D ligands in senescent cells are dependent on a DNA damage response, whilst continuous expression of these ligands is regulated by the ERK signaling pathway. In liver fibrosis, the accumulation of senescent activated stellate cells is increased in mice lacking NKG2D receptor leading to increased fibrosis. Overall, our results provide new insights into the mechanisms regulating the expression of immune ligands in senescent cells and reveal the importance of NKG2D receptor-ligand interaction in protecting against liver fibrosis. PMID:26878797

  17. Studying Zeolite Catalysts with a 2D Model System

    ScienceCinema

    Boscoboinik, Anibal

    2016-12-14

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  18. 2D nanomaterials based electrochemical biosensors for cancer diagnosis.

    PubMed

    Wang, Lu; Xiong, Qirong; Xiao, Fei; Duan, Hongwei

    2017-03-15

    Cancer is a leading cause of death in the world. Increasing evidence has demonstrated that early diagnosis holds the key towards effective treatment outcome. Cancer biomarkers are extensively used in oncology for cancer diagnosis and prognosis. Electrochemical sensors play key roles in current laboratory and clinical analysis of diverse chemical and biological targets. Recent development of functional nanomaterials offers new possibilities of improving the performance of electrochemical sensors. In particular, 2D nanomaterials have stimulated intense research due to their unique array of structural and chemical properties. The 2D materials of interest cover broadly across graphene, graphene derivatives (i.e., graphene oxide and reduced graphene oxide), and graphene-like nanomaterials (i.e., 2D layered transition metal dichalcogenides, graphite carbon nitride and boron nitride nanomaterials). In this review, we summarize recent advances in the synthesis of 2D nanomaterials and their applications in electrochemical biosensing of cancer biomarkers (nucleic acids, proteins and some small molecules), and present a personal perspective on the future direction of this area.

  19. 2D molybdenum disulphide (2D-MoS2) modified electrodes explored towards the oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Rowley-Neale, Samuel J.; Fearn, Jamie M.; Brownson, Dale A. C.; Smith, Graham C.; Ji, Xiaobo; Banks, Craig E.

    2016-08-01

    Two-dimensional molybdenum disulphide nanosheets (2D-MoS2) have proven to be an effective electrocatalyst, with particular attention being focused on their use towards increasing the efficiency of the reactions associated with hydrogen fuel cells. Whilst the majority of research has focused on the Hydrogen Evolution Reaction (HER), herein we explore the use of 2D-MoS2 as a potential electrocatalyst for the much less researched Oxygen Reduction Reaction (ORR). We stray from literature conventions and perform experiments in 0.1 M H2SO4 acidic electrolyte for the first time, evaluating the electrochemical performance of the ORR with 2D-MoS2 electrically wired/immobilised upon several carbon based electrodes (namely; Boron Doped Diamond (BDD), Edge Plane Pyrolytic Graphite (EPPG), Glassy Carbon (GC) and Screen-Printed Electrodes (SPE)) whilst exploring a range of 2D-MoS2 coverages/masses. Consequently, the findings of this study are highly applicable to real world fuel cell applications. We show that significant improvements in ORR activity can be achieved through the careful selection of the underlying/supporting carbon materials that electrically wire the 2D-MoS2 and utilisation of an optimal mass of 2D-MoS2. The ORR onset is observed to be reduced to ca. +0.10 V for EPPG, GC and SPEs at 2D-MoS2 (1524 ng cm-2 modification), which is far closer to Pt at +0.46 V compared to bare/unmodified EPPG, GC and SPE counterparts. This report is the first to demonstrate such beneficial electrochemical responses in acidic conditions using a 2D-MoS2 based electrocatalyst material on a carbon-based substrate (SPEs in this case). Investigation of the beneficial reaction mechanism reveals the ORR to occur via a 4 electron process in specific conditions; elsewhere a 2 electron process is observed. This work offers valuable insights for those wishing to design, fabricate and/or electrochemically test 2D-nanosheet materials towards the ORR.Two-dimensional molybdenum disulphide nanosheets

  20. Rovibrational analysis of the ethylene isotopologue 13C2D4 by high-resolution Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Gabona, M. G.; Godfrey, Peter D.; McNaughton, Don

    2015-01-01

    The Fourier transform infrared (FTIR) spectrum of the unperturbed a-type ν12 band of 13C2D4 was recorded at an unapodized resolution of 0.0063 cm-1 between 1000 and 1140 cm-1 for a rovibrational analysis. By assigning and fitting a total of 2068 infrared transitions using a Watson's A-reduced and S-reduced Hamiltonians in the Ir representation, rovibrational constants for the upper state (ν12 = 1) up to five quartic centrifugal distortion terms were derived for the first time. The root-mean-square (rms) deviation of the fits was 0.00034 cm-1 both in the A-reduction and S-reduction Hamiltonian. The ground state rovibrational constants of 13C2D4 in the A-reduced and S-reduced Hamiltonians were also determined for the first time by a fit of 985 combination-differences from the present infrared measurements, with rms deviation of 0.00036 cm-1. The ν12 band centre of 13C2D4 was at 1069.970824(17) cm-1 and at 1069.970799(17) cm-1 for the A-reduced and S-reduced Hamiltonians respectively. The ground state constants of 13C2D4 from this experimental work are in close agreement to those derived from theoretical calculations using the B3LYP/cc-pVTZ, MP2/cc-pVTZ, and CSSD(T)/cc-pVTZ levels of theory.

  1. WE-AB-BRA-07: Quantitative Evaluation of 2D-2D and 2D-3D Image Guided Radiation Therapy for Clinical Trial Credentialing, NRG Oncology/RTOG

    SciTech Connect

    Giaddui, T; Yu, J; Xiao, Y; Jacobs, P; Manfredi, D; Linnemann, N

    2015-06-15

    Purpose: 2D-2D kV image guided radiation therapy (IGRT) credentialing evaluation for clinical trial qualification was historically qualitative through submitting screen captures of the fusion process. However, as quantitative DICOM 2D-2D and 2D-3D image registration tools are implemented in clinical practice for better precision, especially in centers that treat patients with protons, better IGRT credentialing techniques are needed. The aim of this work is to establish methodologies for quantitatively reviewing IGRT submissions based on DICOM 2D-2D and 2D-3D image registration and to test the methodologies in reviewing 2D-2D and 2D-3D IGRT submissions for RTOG/NRG Oncology clinical trials qualifications. Methods: DICOM 2D-2D and 2D-3D automated and manual image registration have been tested using the Harmony tool in MIM software. 2D kV orthogonal portal images are fused with the reference digital reconstructed radiographs (DRR) in the 2D-2D registration while the 2D portal images are fused with DICOM planning CT image in the 2D-3D registration. The Harmony tool allows alignment of the two images used in the registration process and also calculates the required shifts. Shifts calculated using MIM are compared with those submitted by institutions for IGRT credentialing. Reported shifts are considered to be acceptable if differences are less than 3mm. Results: Several tests have been performed on the 2D-2D and 2D-3D registration. The results indicated good agreement between submitted and calculated shifts. A workflow for reviewing these IGRT submissions has been developed and will eventually be used to review IGRT submissions. Conclusion: The IROC Philadelphia RTQA center has developed and tested a new workflow for reviewing DICOM 2D-2D and 2D-3D IGRT credentialing submissions made by different cancer clinical centers, especially proton centers. NRG Center for Innovation in Radiation Oncology (CIRO) and IROC RTQA center continue their collaborative efforts to enhance

  2. Half-metallicity in 2D organometallic honeycomb frameworks.

    PubMed

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-26

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule-CN-noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

  3. 2d-LCA - an alternative to x-wires

    NASA Astrophysics Data System (ADS)

    Puczylowski, Jaroslaw; Hölling, Michael; Peinke, Joachim

    2014-11-01

    The 2d-Laser Cantilever Anemometer (2d-LCA) is an innovative sensor for two-dimensional velocity measurements in fluids. It uses a micostructured cantilever made of silicon and SU-8 as a sensing element and is capable of performing mesurements with extremly high temporal resolutions up to 150 kHz. The size of the cantilever defines its spatial resolution, which is in the order of 150 μm only. Another big feature is a large angular range of 180° in total. The 2d-LCA has been developed as an alternative measurement method to x-wires with the motivation to create a sensor that can operate in areas where the use of hot-wire anemometry is difficult. These areas include measurements in liquids and in near-wall or particle-laden flows. Unlike hot-wires, the resolution power of the 2d-LCA does not decrease with increasing flow velocity, making it particularly suitable for measurements in high speed flows. Comparative measurements with the 2d-LCA and hot-wires have been carried out in order to assess the performance of the new anemometer. The data of both measurement techniques were analyzed using the same stochastic methods including a spectral analysis as well as an inspection of increment statistics and structure functions. Furthermore, key parameters, such as mean values of both velocity components, angles of attack and the characteristic length scales were determined from both data sets. The analysis reveals a great agreement between both anemometers and thus confirms the new approach.

  4. 2D/3D Image Registration using Regression Learning

    PubMed Central

    Chou, Chen-Rui; Frederick, Brandon; Mageras, Gig; Chang, Sha; Pizer, Stephen

    2013-01-01

    In computer vision and image analysis, image registration between 2D projections and a 3D image that achieves high accuracy and near real-time computation is challenging. In this paper, we propose a novel method that can rapidly detect an object’s 3D rigid motion or deformation from a 2D projection image or a small set thereof. The method is called CLARET (Correction via Limited-Angle Residues in External Beam Therapy) and consists of two stages: registration preceded by shape space and regression learning. In the registration stage, linear operators are used to iteratively estimate the motion/deformation parameters based on the current intensity residue between the target projec-tion(s) and the digitally reconstructed radiograph(s) (DRRs) of the estimated 3D image. The method determines the linear operators via a two-step learning process. First, it builds a low-order parametric model of the image region’s motion/deformation shape space from its prior 3D images. Second, using learning-time samples produced from the 3D images, it formulates the relationships between the model parameters and the co-varying 2D projection intensity residues by multi-scale linear regressions. The calculated multi-scale regression matrices yield the coarse-to-fine linear operators used in estimating the model parameters from the 2D projection intensity residues in the registration. The method’s application to Image-guided Radiation Therapy (IGRT) requires only a few seconds and yields good results in localizing a tumor under rigid motion in the head and neck and under respiratory deformation in the lung, using one treatment-time imaging 2D projection or a small set thereof. PMID:24058278

  5. Half-metallicity in 2D organometallic honeycomb frameworks

    NASA Astrophysics Data System (ADS)

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-01

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule—CN—noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

  6. Optical/IR from ground

    NASA Technical Reports Server (NTRS)

    Strom, Stephen; Sargent, Wallace L. W.; Wolff, Sidney; Ahearn, Michael F.; Angel, J. Roger; Beckwith, Steven V. W.; Carney, Bruce W.; Conti, Peter S.; Edwards, Suzan; Grasdalen, Gary

    1991-01-01

    Optical/infrared (O/IR) astronomy in the 1990's is reviewed. The following subject areas are included: research environment; science opportunities; technical development of the 1980's and opportunities for the 1990's; and ground-based O/IR astronomy outside the U.S. Recommendations are presented for: (1) large scale programs (Priority 1: a coordinated program for large O/IR telescopes); (2) medium scale programs (Priority 1: a coordinated program for high angular resolution; Priority 2: a new generation of 4-m class telescopes); (3) small scale programs (Priority 1: near-IR and optical all-sky surveys; Priority 2: a National Astrometric Facility); and (4) infrastructure issues (develop, purchase, and distribute optical CCDs and infrared arrays; a program to support large optics technology; a new generation of large filled aperture telescopes; a program to archive and disseminate astronomical databases; and a program for training new instrumentalists)

  7. New ultrarapid-scanning interferometer for FT-IR spectroscopy with microsecond time-resolution

    NASA Astrophysics Data System (ADS)

    Süss, B.; Ringleb, F.; Heberle, J.

    2016-06-01

    A novel Fourier-transform infrared (FT-IR) rapid-scan spectrometer has been developed (patent pending EP14194520.4) which yields 1000 times higher time resolution as compared to conventional rapid-scanning spectrometers. The central element to achieve faster scanning rates is based on a sonotrode whose front face represents the movable mirror of the interferometer. A prototype spectrometer with a time resolution of 13 μs was realized, capable of fully automated long-term measurements with a flow cell for liquid samples, here a photosynthetic membrane protein in solution. The performance of this novel spectrometer is demonstrated by recording the photoreaction of bacteriorhodopsin initiated by a short laser pulse that is synchronized to the data recording. The resulting data are critically compared to those obtained by step-scan spectroscopy and demonstrate the relevance of performing experiments on proteins in solution. The spectrometer allows for future investigations of fast, non-repetitive processes, whose investigation is challenging to step-scan FT-IR spectroscopy.

  8. Ion mobility spectrometer / mass spectrometer (IMS-MS).

    SciTech Connect

    Hunka Deborah Elaine; Austin, Daniel E.

    2005-07-01

    The use of Ion Mobility Spectrometry (IMS) in the Detection of Contraband Sandia researchers use ion mobility spectrometers for trace chemical detection and analysis in a variety of projects and applications. Products developed in recent years based on IMS-technology include explosives detection personnel portals, the Material Area Access (MAA) checkpoint of the future, an explosives detection vehicle portal, hand-held detection systems such as the Hound and Hound II (all 6400), micro-IMS sensors (1700), ordnance detection (2500), and Fourier Transform IMS technology (8700). The emphasis to date has been on explosives detection, but the detection of chemical agents has also been pursued (8100 and 6400). Combining Ion Mobility Spectrometry (IMS) with Mass Spectrometry (MS) is described. The IMS-MS combination overcomes several limitations present in simple IMS systems. Ion mobility alone is insufficient to identify an unknown chemical agent. Collision cross section, upon which mobility is based, is not sufficiently unique or predictable a priori to be able to make a confident peak assignment unless the compounds present are already identified. Molecular mass, on the other hand, is much more readily interpreted and related to compounds. For a given compound, the molecular mass can be determined using a pocket calculator (or in one's head) while a reasonable value of the cross-section might require hours of computation time. Thus a mass spectrum provides chemical specificity and identity not accessible in the mobility spectrum alone. In addition, several advanced mass spectrometric methods, such as tandem MS, have been extensively developed for the purpose of molecular identification. With an appropriate mass spectrometer connected to an ion mobility spectrometer, these advanced identification methods become available, providing greater characterization capability.

  9. Ion Mobility Spectrometer / Mass Spectrometer (IMS-MS).

    SciTech Connect

    Hunka, Deborah E; Austin, Daniel

    2005-10-01

    The use of Ion Mobility Spectrometry (IMS)in the Detection of Contraband Sandia researchers use ion mobility spectrometers for trace chemical detection and analysis in a variety of projects and applications. Products developed in recent years based on IMS-technology include explosives detection personnel portals, the Material Area Access (MAA) checkpoint of the future, an explosives detection vehicle portal, hand-held detection systems such as the Hound and Hound II (all 6400), micro-IMS sensors (1700), ordnance detection (2500), and Fourier Transform IMS technology (8700). The emphasis to date has been on explosives detection, but the detection of chemical agents has also been pursued (8100 and 6400).Combining Ion Mobility Spectrometry (IMS) with Mass Spectrometry (MS)The IMS-MS combination overcomes several limitations present in simple IMS systems. Ion mobility alone is insufficient to identify an unknown chemical agent. Collision cross section, upon which mobility is based, is not sufficiently unique or predictable a priori to be able to make a confident peak assignment unless the compounds present are already identified. Molecular mass, on the other hand, is much more readily interpreted and related to compounds. For a given compound, the molecular mass can be determined using a pocket calculator (or in one's head) while a reasonable value of the cross-section might require hours of computation time. Thus a mass spectrum provides chemical specificity and identity not accessible in the mobility spectrum alone. In addition, several advanced mass spectrometric methods, such as tandem MS, have been extensively developed for the purpose of molecular identification. With an appropriate mass spectrometer connected to an ion mobility spectrometer, these advanced identification methods become available, providing greater characterization capability.3 AcronymsIMSion mobility spectrometryMAAMaterial Access AreaMSmass spectrometryoaTOForthogonal acceleration time

  10. A scanning-mode 2D shear wave imaging (s2D-SWI) system for ultrasound elastography.

    PubMed

    Qiu, Weibao; Wang, Congzhi; Li, Yongchuan; Zhou, Juan; Yang, Ge; Xiao, Yang; Feng, Ge; Jin, Qiaofeng; Mu, Peitian; Qian, Ming; Zheng, Hairong

    2015-09-01

    Ultrasound elastography is widely used for the non-invasive measurement of tissue elasticity properties. Shear wave imaging (SWI) is a quantitative method for assessing tissue stiffness. SWI has been demonstrated to be less operator dependent than quasi-static elastography, and has the ability to acquire quantitative elasticity information in contrast with acoustic radiation force impulse (ARFI) imaging. However, traditional SWI implementations cannot acquire two dimensional (2D) quantitative images of the tissue elasticity distribution. This study proposes and evaluates a scanning-mode 2D SWI (s2D-SWI) system. The hardware and image processing algorithms are presented in detail. Programmable devices are used to support flexible control of the system and the image processing algorithms. An analytic signal based cross-correlation method and a Radon transformation based shear wave speed determination method are proposed, which can be implemented using parallel computation. Imaging of tissue mimicking phantoms, and in vitro, and in vivo imaging test are conducted to demonstrate the performance of the proposed system. The s2D-SWI system represents a new choice for the quantitative mapping of tissue elasticity, and has great potential for implementation in commercial ultrasound scanners.

  11. 2D-2D tunneling field-effect transistors using WSe2/SnSe2 heterostructures

    NASA Astrophysics Data System (ADS)

    Roy, Tania; Tosun, Mahmut; Hettick, Mark; Ahn, Geun Ho; Hu, Chenming; Javey, Ali

    2016-02-01

    Two-dimensional materials present a versatile platform for developing steep transistors due to their uniform thickness and sharp band edges. We demonstrate 2D-2D tunneling in a WSe2/SnSe2 van der Waals vertical heterojunction device, where WSe2 is used as the gate controlled p-layer and SnSe2 is the degenerately n-type layer. The van der Waals gap facilitates the regulation of band alignment at the heterojunction, without the necessity of a tunneling barrier. ZrO2 is used as the gate dielectric, allowing the scaling of gate oxide to improve device subthreshold swing. Efficient gate control and clean interfaces yield a subthreshold swing of ˜100 mV/dec for >2 decades of drain current at room temperature, hitherto unobserved in 2D-2D tunneling devices. The subthreshold swing is independent of temperature, which is a clear signature of band-to-band tunneling at the heterojunction. A maximum switching ratio ION/IOFF of 107 is obtained. Negative differential resistance in the forward bias characteristics is observed at 77 K. This work bodes well for the possibilities of two-dimensional materials for the realization of energy-efficient future-generation electronics.

  12. Response to CYP2D6 substrate antidepressants is predicted by a CYP2D6 composite phenotype based on genotype and comedications with CYP2D6 inhibitors.

    PubMed

    Gressier, F; Verstuyft, C; Hardy, P; Becquemont, L; Corruble, E

    2015-01-01

    The cytochrome P450 2D6 (CYP2D6) is involved in the metabolism of most antidepressants. Comedication with a potent CYP2D6 inhibitor can convert patients with extensive metabolizer (EM) or ultra-rapid metabolizer (UM) genotypes into poor metabolizer (PM) phenotypes. Since comedication is frequent in depressed patients treated with antidepressants, we investigated the effect of the CYP2D6 composite phenotype on antidepressant efficacy, taking into account both the CYP2D6 genotype and comedication with CYP2D6 inhibitors. 87 Caucasian in patients with a major depressive episode were prospectively treated with flexible doses of antidepressant monotherapy as well as comedications and genotyped for the major CYP2D6 alleles (CYP2D6*3 rs35742686, *4 rs3892097, *5 del, *6 rs5030655, and *2xN). They were classified for CYP2D6 composite phenotype and assessed for antidepressant response after 4 weeks. In terms of genotypes (g), 6 subjects were UMg, 6 PMg, and 75 EMg. Ten patients were coprescribed a CYP2D6 inhibitor, resulting in the following composite phenotypes (cp): 5 UMcp, 16 PMcp, and 66 EMcp. Whereas none of the CYP2D6 genotypes were significantly associated with antidepressant response, UMcp had a lower antidepressant response than PMcp or EMcp (respectively: 39.0 ± 17.9, 50.0 ± 26.0, and 61.6 ± 23.4, p = 0.02). Despite small sample size, this study suggests that a CYP2D6 composite phenotype, taking into account both genotype and comedications with CYP2D6 inhibitors, could predict CYP2D6 substrate antidepressants response. Thus, to optimize antidepressant response, CYP2D6 genotype could be performed and comedications with CYP2D6 inhibitors should be avoided, when prescribing CYP2D6 substrate antidepressants.

  13. 2-D linear motion system. Innovative technology summary report

    SciTech Connect

    1998-11-01

    The US Department of Energy's (DOE's) nuclear facility decontamination and decommissioning (D and D) program requires buildings to be decontaminated, decommissioned, and surveyed for radiological contamination in an expeditious and cost-effective manner. Simultaneously, the health and safety of personnel involved in the D and D activities is of primary concern. D and D workers must perform duties high off the ground, requiring the use of manlifts or scaffolding, often, in radiologically or chemically contaminated areas or in areas with limited access. Survey and decontamination instruments that are used are sometimes heavy or awkward to use, particularly when the worker is operating from a manlift or scaffolding. Finding alternative methods of performing such work on manlifts or scaffolding is important. The 2-D Linear Motion System (2-D LMS), also known as the Wall Walker{trademark}, is designed to remotely position tools and instruments on walls for use in such activities as radiation surveys, decontamination, and painting. Traditional (baseline) methods for operating equipment for these tasks require workers to perform duties on elevated platforms, sometimes several meters above the ground surface and near potential sources of contamination. The Wall Walker 2-D LMS significantly improves health and safety conditions by facilitating remote operation of equipment. The Wall Walker 2-D LMS performed well in a demonstration of its precision, accuracy, maneuverability, payload capacity, and ease of use. Thus, this innovative technology is demonstrated to be a viable alternative to standard methods of performing work on large, high walls, especially those that have potential contamination concerns. The Wall Walker was used to perform a final release radiological survey on over 167 m{sup 2} of walls. In this application, surveying using a traditional (baseline) method that employs an aerial lift for manual access was 64% of the total cost of the improved technology

  14. Gold-standard performance for 2D hydrodynamic modeling

    NASA Astrophysics Data System (ADS)

    Pasternack, G. B.; MacVicar, B. J.

    2013-12-01

    Two-dimensional, depth-averaged hydrodynamic (2D) models are emerging as an increasingly useful tool for environmental water resources engineering. One of the remaining technical hurdles to the wider adoption and acceptance of 2D modeling is the lack of standards for 2D model performance evaluation when the riverbed undulates, causing lateral flow divergence and convergence. The goal of this study was to establish a gold-standard that quantifies the upper limit of model performance for 2D models of undulating riverbeds when topography is perfectly known and surface roughness is well constrained. A review was conducted of published model performance metrics and the value ranges exhibited by models thus far for each one. Typically predicted velocity differs from observed by 20 to 30 % and the coefficient of determination between the two ranges from 0.5 to 0.8, though there tends to be a bias toward overpredicting low velocity and underpredicting high velocity. To establish a gold standard as to the best performance possible for a 2D model of an undulating bed, two straight, rectangular-walled flume experiments were done with no bed slope and only different bed undulations and water surface slopes. One flume tested model performance in the presence of a porous, homogenous gravel bed with a long flat section, then a linear slope down to a flat pool bottom, and then the same linear slope back up to the flat bed. The other flume had a PVC plastic solid bed with a long flat section followed by a sequence of five identical riffle-pool pairs in close proximity, so it tested model performance given frequent undulations. Detailed water surface elevation and velocity measurements were made for both flumes. Comparing predicted versus observed velocity magnitude for 3 discharges with the gravel-bed flume and 1 discharge for the PVC-bed flume, the coefficient of determination ranged from 0.952 to 0.987 and the slope for the regression line was 0.957 to 1.02. Unsigned velocity

  15. Instantons in 2D U(1) Higgs model and 2D CP(N-1) sigma models

    NASA Astrophysics Data System (ADS)

    Lian, Yaogang

    2007-12-01

    In this thesis I present the results of a study of the topological structures of 2D U(1) Higgs model and 2D CP N-1 sigma models. Both models have been studied using the overlap Dirac operator construction of topological charge density. The overlap operator provides a more incisive probe into the local topological structure of gauge field configurations than the traditional plaquette-based operator. In the 2D U(1) Higgs model, we show that classical instantons with finite sizes violate the negativity of topological charge correlator by giving a positive contribution to the correlator at non-zero separation. We argue that instantons in 2D U(1) Higgs model must be accompanied by large quantum fluctuations in order to solve this contradiction. In 2D CPN-1 sigma models, we observe the anomalous scaling behavior of the topological susceptibility chi t for N ≤ 3. The divergence of chi t in these models is traced to the presence of small instantons with a radius of order a (= lattice spacing), which are directly observed on the lattice. The observation of these small instantons provides detailed confirmation of Luscher's argument that such short-distance excitations, with quantized topological charge, should be the dominant topological fluctuations in CP1 and CP 2, leading to a divergent topological susceptibility in the continuum limit. For the CPN-1 models with N > 3 the topological susceptibility is observed to scale properly with the mass gap. Another topic presented in this thesis is an implementation of the Zolotarev optimal rational approximation for the overlap Dirac operator. This new implementation has reduced the time complexity of the overlap routine from O(N3 ) to O(N), where N is the total number of sites on the lattice. This opens up a door to more accurate lattice measurements in the future.

  16. Formation and reactivity of a porphyrin iridium hydride in water: acid dissociation constants and equilibrium thermodynamics relevant to Ir-H, Ir-OH, and Ir-CH2- bond dissociation energetics.

    PubMed

    Bhagan, Salome; Wayland, Bradford B

    2011-11-07

    Aqueous solutions of group nine metal(III) (M = Co, Rh, Ir) complexes of tetra(3,5-disulfonatomesityl)porphyrin [(TMPS)M(III)] form an equilibrium distribution of aquo and hydroxo complexes ([(TMPS)M(III)(D(2)O)(2-n)(OD)(n)]((7+n)-)). Evaluation of acid dissociation constants for coordinated water show that the extent of proton dissociation from water increases regularly on moving down the group from cobalt to iridium, which is consistent with the expected order of increasing metal-ligand bond strengths. Aqueous (D(2)O) solutions of [(TMPS)Ir(III)(D(2)O)(2)](7-) react with dihydrogen to form an iridium hydride complex ([(TMPS)Ir-D(D(2)O)](8-)) with an acid dissociation constant of 1.8(0.5) × 10(-12) (298 K), which is much smaller than the Rh-D derivative (4.3 (0.4) × 10(-8)), reflecting a stronger Ir-D bond. The iridium hydride complex adds with ethene and acetaldehyde to form organometallic derivatives [(TMPS)Ir-CH(2)CH(2)D(D(2)O)](8-) and [(TMPS)Ir-CH(OD)CH(3)(D(2)O)](8-). Only a six-coordinate carbonyl complex [(TMPS)Ir-D(CO)](8-) is observed for reaction of the Ir-D with CO (P(CO) = 0.2-2.0 atm), which contrasts with the (TMPS)Rh-D analog which reacts with CO to produce an equilibrium with a rhodium formyl complex ([(TMPS)Rh-CDO(D(2)O)](8-)). Reactivity studies and equilibrium thermodynamic measurements were used to discuss the relative M-X bond energetics (M = Rh, Ir; X = H, OH, and CH(2)-) and the thermodynamically favorable oxidative addition of water with the (TMPS)Ir(II) derivatives.

  17. Fast quantification of recombinant protein inclusion bodies within intact cells by FT-IR spectroscopy.

    PubMed

    Gross-Selbeck, Sven; Margreiter, Gerd; Obinger, Christian; Bayer, Karl

    2007-01-01

    The accomplishment of the quantification of the recombinant protein content of whole bacterial cells by FT-IR spectroscopy by application of chemometrics is shown. Recombinant Escherichia coli cells expressing an inclusion body forming fusion protein were dried on a 96-well silicon plate for the analysis in a high-throughput FT-IR spectrometer. Acquired spectra of additionally conventionally quantified samples were used to establish a multivariate calibration. The obtained method was tested by predicting inclusion body contents of samples not used for the multivariate model. Results from FT-IR spectra coincided well with the data of universalized electrophoresis analysis. Hence FT-IR spectroscopy could prove as a fast and simple alternative to conventional quantification methods.

  18. Radiative Transfer Modeling of the Mid-IR/Far-IR Dust Emissions of the Symbiotic Mira, V* R Aqr

    NASA Astrophysics Data System (ADS)

    Omelian, Eric B.; Sankrit, Ravi; Helton, L. Andrew; Gorti, Uma; Wagner, R. Mark

    2017-01-01

    We present RADMC-3D models of the symbiotic system V* R Aqr, which consists of a Mira variable and white dwarf. Thermal radiative transfer modeling is performed using RADMC-3D to characterize the mid-IR/far-IR Spectral Energy Distributions (SEDs) of the system at two different phases of the visible light curve. Near maximum visible light (Mira phase of 1.0), we utilize the Infrared Space Observatory (ISO) Short Wave Spectrometer/Long Wave Spectrometer observations (2.3 - 197 mu-m) and contrast them to the recently obtained near minimum visible light (~0.4 Mira phase) observations from the Stratospheric Observatory for Infrared Astronomy (SOFIA)/Faint Object infraRed CAmera for the SOFIA Telescope (FORCAST) (6.4 - 37.1 mu-m). Initial spectra and photometry from the SOFIA/FORCAST observations of the central Mira indicate that flux values are about 50% of that measured by the ISO SWS/LWS observations. Dust models utilizing a spherical shell and amorphous silicates are used to generate synthetic SEDs, which are compared with the ISO and FORCAST observations in order to constrain the properties of the shell (such as its dust mass and temperature) at different phases of the Mira variability. Our proposed monitoring of the V* R Aqr system will establish a characterization baseline of the SEDs as the system approaches its upcoming eclipse and periastron passage.

  19. Thermal analysis of paracetamol polymorphs by FT-IR spectroscopies.

    PubMed

    Zimmermann, Boris; Baranović, Goran

    2011-01-25

    A simple IR spectroscopy based methodology in routine screening studies of polymorphism is proposed. Reflectance and transmittance temperature-dependent IR measurements (coupled with the 2D-IR data presentation and the baseline analysis) offer a positive identification of each polymorphic phase, therefore allowing simple and rapid monitoring of the measured system. Applicability and flexibility of the methodology was demonstrated on the measurement of the model polymorphic compound paracetamol under various conditions (including geometric constraints and elevated pressure). The thermal behavior of paracetamol strongly depends on slight variations in experimental conditions that can result in formation of various phases (three polymorphs and the amorphous form). The amorphous phase can crystallize during heating into either Form II or Form III within almost identical temperature range. Likewise, the crystal transformations II→I and III→II also can proceed within almost identical temperature range. Furthermore, the thermal behavior is even more diverse than that, and includes the crystallizations of Forms I, II and III from the melt, and the high temperature II→I transition. The variety of the temperatures of the transformations is a major obstacle for unambiguous identification of a particular phase by DSC and a major reason for the implementation of these IR methods.

  20. Optimizing sparse sampling for 2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Roeding, Sebastian; Klimovich, Nikita; Brixner, Tobias

    2017-02-01

    We present a new data acquisition concept using optimized non-uniform sampling and compressed sensing reconstruction in order to substantially decrease the acquisition times in action-based multidimensional electronic spectroscopy. For this we acquire a regularly sampled reference data set at a fixed population time and use a genetic algorithm to optimize a reduced non-uniform sampling pattern. We then apply the optimal sampling for data acquisition at all other population times. Furthermore, we show how to transform two-dimensional (2D) spectra into a joint 4D time-frequency von Neumann representation. This leads to increased sparsity compared to the Fourier domain and to improved reconstruction. We demonstrate this approach by recovering transient dynamics in the 2D spectrum of a cresyl violet sample using just 25% of the originally sampled data points.