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Sample records for ft nqr spectrometer

  1. 35Cl NQR Zeeman study of perchloro-2-cyclopentenone by a pulsed FT NQR spectrometer

    Science.gov (United States)

    Mano, K.; Sengupta, S.; Lucken, E. A. C.; Litzistorf, G.

    Zeeman measurements have been performed on the 35Cl NQR lines of a single crystal of perchloro-2-cyclopentenone at room temperature using a pulsed FT NQR system. The compound exhibits six NQR lines, ν(1) = 36 589.4, ν(2) = 37 383.7, ν(3) = 38 631.7, ν(4) = 38 812.0, ν(5) = 39 429.7 and ν(6) = 39 750.0, at 288 K. Each line yields two electric field gradient tensors in a magnetic field. The asymmetry parameters (η) of ν(1), ν(2), ν(3), ν(4), ν(5) and ν(6) are 18.3, 12.8, 1.9, 0.8, 4.9 and 5.6%, respectively. From the relative orientations of the principal axes of the field gradient tensors, the molecular structure has been deduced. The five-membered ring is puckered by ca. 30°. The η values and the nature of the bonding are discussed in connection with the molecular structure.

  2. 35Cl NQR zeeman study of perchloro-bicyclopentadienyl by a pulsed FT nor spectrometer

    Science.gov (United States)

    Mano, K.; Sengupta, S.; Litzistorf, G.; Lucken, E. A. C.

    1983-12-01

    Zeeman measurements were performed on 35Cl NQR lines in a single crystal of perchloro-bicyclopentadienyl at room temperature by a pulsed FT NQR system. The compound gives ten NQR lines : ν 1 = 36347.6, ν 2 = 36361.2, ν 3 = 36634.2, ν 4 = 36684.8, ν 5 = 36715.5, ν 6 = 37008.0, ν 7 = 37194.4, ν 8 = 37266.9, ν 9 = 38871.1, and ν 0 = 39323.8(kHz) at 291.5 K. Each line yields two electric field gradients (efgt's) in a magnetic field. The asymmetry parameters (η) of ν 1, ν 2, ν 3, ν 4, ν 5, ν 6, ν 7, ν 8, ν 9 and ν 0 are 14.1, 14.0, 14.2, 13.9, 14.5, 9.6, 10.3, 12.1, 4.2 and 4.8%, respectively. From the relative orientations between the principal axes of the efgt's, the molecular structure has been deduced. The molecule has a cisoid conformation rotated by 51 o from the pure s-cis form. The rotation angle agrees well with the value calculated using Urey-Bradley force field constants.

  3. FPGA based pulsed NQR spectrometer

    Science.gov (United States)

    Hemnani, Preeti; Rajarajan, A. K.; Joshi, Gopal; Motiwala, Paresh D.; Ravindranath, S. V. G.

    2014-04-01

    An NQR spectrometer for the frequency range of 1 MHz to 5 MHZ has been designed constructed and tested using an FPGA module. Consisting of four modules viz. Transmitter, Probe, Receiver and computer controlled (FPGA & Software) module containing frequency synthesizer, pulse programmer, mixer, detection and display, the instrument is capable of exciting nuclei with a power of 200W and can detect signal of a few microvolts in strength. 14N signal from NaNO2 has been observed with the expected signal strength.

  4. Computer Enhanced SRO NQR-Spectrometer

    Science.gov (United States)

    Mano, Koichi; Hashimoto, Masao

    1986-02-01

    An automatic computer supported SRO NQR spectrometer system was constructed for the measurement of time dependent NQR signal intensities. The system has several functions: fast scanning (500 kH z/25 s), averaging, smoothing, automatic noise level estimation, automatic peak detection, etc. The process of the ß → α phase transition of p-dichlorobenzene is illustrated by the 3-dimensional spectrum .

  5. A Pulsed Spectrometer Designed for Feedback NQR

    Science.gov (United States)

    Schiano, J. L.; Ginsberg, M. D.

    2000-02-01

    A pulsed NQR spectrometer specifically designed to facilitate real-time tuning of pulse sequence parameters is described. A modular approach based on the interconnection of several rack-mounted blocks provides easy access to all spectrometer signals and simplifies the task of modifying the spectrometer design. We also present experimental data that demonstrates the ability of the spectrometer to increase the signal to noise ratio of NQR measurements by automatically adjusting the pulse width in the strong off-resonant comb pulse sequence.

  6. A miniaturized NQR spectrometer for a multi-channel NQR-based detection device.

    Science.gov (United States)

    Beguš, Samo; Jazbinšek, Vojko; Pirnat, Janez; Trontelj, Zvonko

    2014-10-01

    A low frequency (0.5-5 MHz) battery operated sensitive pulsed NQR spectrometer with a transmitter power up to 5 W and a total mass of about 3 kg aimed at detecting (14)N NQR signals, predominantly of illicit materials, was designed and assembled. This spectrometer uses a standard software defined radio (SDR) platform for the data acquisition unit. Signal processing is done with the LabView Virtual instrument on a personal computer. We successfully tested the spectrometer by measuring (14)N NQR signals from aminotetrazole monohydrate (ATMH), potassium nitrate (PN), paracetamol (PCM) and trinitrotoluene (TNT). Such a spectrometer is a feasible component of a portable single or multichannel (14)N NQR based detection device.

  7. A miniaturized NQR spectrometer for a multi-channel NQR-based detection device

    Science.gov (United States)

    Beguš, Samo; Jazbinšek, Vojko; Pirnat, Janez; Trontelj, Zvonko

    2014-10-01

    A low frequency (0.5-5 MHz) battery operated sensitive pulsed NQR spectrometer with a transmitter power up to 5 W and a total mass of about 3 kg aimed at detecting 14N NQR signals, predominantly of illicit materials, was designed and assembled. This spectrometer uses a standard software defined radio (SDR) platform for the data acquisition unit. Signal processing is done with the LabView Virtual instrument on a personal computer. We successfully tested the spectrometer by measuring 14N NQR signals from aminotetrazole monohydrate (ATMH), potassium nitrate (PN), paracetamol (PCM) and trinitrotoluene (TNT). Such a spectrometer is a feasible component of a portable single or multichannel 14N NQR based detection device.

  8. A system for pulsed NQR spectrometer control and signal processing

    Science.gov (United States)

    Gourdji, M.; Péneau, A.

    The system described was built at the IEF around a HP-21OOA computer and is presently used with a nitrogen-14 pulsed NQR spectrometer. Two main functions are provided: spectrometer control (radio-frequency, pulse sequence repetition rate, sample temperature settings) and signal processing (accumulation of the NQR signals, Fourier transform). Results are presented which show typical uses of the system for the observation of complex signals.

  9. NQR Spectrometer with a Two Integrated Circuits Radio Frequency Head

    Science.gov (United States)

    Zikumaru, Yushi

    1990-04-01

    An NQR spectrometer has been constructed using two linear integrated circuits in its oscillator-detector. This is very simple and compact and works in range 3-65 MHz. The radio frequency voltage can be varied from 10 mVp-p to 15 V p-p by changing the supply-voltage of an integrated circuit μA 733. The utility of the spectrometer is demonstrated by recording 35Cl NQR spectra in p-C6H4Cl2 , NaClO3 , and KClO3 .

  10. Zero-field NMR and NQR spectrometer

    Science.gov (United States)

    Bielecki, A.; Zax, D. B.; Zilm, K. W.; Pines, A.

    1986-03-01

    In comparison to high-field NMR, zero-field techniques offer advantages in terms of spectral interpretability in studies of polycrystalline or amorphous solids. This article describes a technique and apparatus for time-domain measurements of nuclear magnetism in the absence of applied fields (Fourier transform zero-field NMR and NQR). Magnetic field cycling and high field detection are employed to enhance sensitivity. The field cycling is accomplished with an air-driven shuttle system which moves the sample between regions of high and low magnetic field, in combination with switchable electromagnets in the low-field region. Sudden field steps or pulses are used to initiate coherent nuclear spin evolution in zero field and to monitor such evolution as a function of time. Experimental results are shown and analyzed. Possible variations on the basic method are described and their relative advantages are discussed.

  11. A double-resonance spectrometer for pure NQR detection

    Science.gov (United States)

    Ader, Roman; Shporer, Mordechai

    The design of a high-sensitivity double-resonance NQR spectrometer is described. An NQR frequency is scanned in zero magnetic field and absorption is detected via an NMR signal in a high magnetic field. The sample is kept stationary and the magnetic field is turned on and off electronically. A new approach was used to switch the magnetic field. The solenoid consists of two coils. The current in one of the coils is kept constant. Current driven in parallel direction in the other coil yields a high magnetic field and when reversed the magnetic field vanishes. In this manner the power dissipation of the system remains constant and thermal swings during magnetic field switching are avoided.

  12. Methyl quantum tunneling and nitrogen-14 NQR NMR studies using a SQUID magnetic resonance spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Black, Bruce Elmer [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1993-07-01

    Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) techniques have been very successful in obtaining molecular conformation and dynamics information. Unfortunately, standard NMR and NQR spectrometers are unable to adequately detect resonances below a few megahertz due to the frequency dependent sensitivity of their Faraday coil detectors. For this reason a new spectrometer with a dc SQUID (Superconducting Quantum Interference Device) detector, which has no such frequency dependence, has been developed. Previously, this spectrometer was used to observe 11B and 27Al NQR resonances. The scope of this study was increased to include 23Na, 51V, and 55Mn NQR transitions. Also, a technique was presented to observe 14N NQR resonances through cross relaxation of the nitrogen polarization to adjacent proton spins. When the proton Zeeman splitting matches one nitrogen quadrupoler transition the remaining two 14N transitions can be detected by sweeping a saturating rf field through resonance. Additionally, simultaneous excitation of two nitrogen resonances provides signal enhancement which helps to connect transitions from the same site. In this way, nitrogen-14 resonances were observed in several amino acids and polypeptides. This spectrometer has also been useful in the direct detection of methyl quantum tunneling splittings at 4.2 K. Tunneling, frequencies of a homologous series of carboxylic acids were measured and for solids with equivalent crystal structures, an exponential correlation between the tunneling frequency and the enthalpy of fusion is observed. This correlation provides information about the contribution of intermolecular interactions to the energy barrier for methyl rotation.

  13. Methyl Quantum Tunneling and NITROGEN-14 Nqr Studies Using a DC SQUID Magnetic Resonance Spectrometer.

    Science.gov (United States)

    Black, Bruce Elmer

    Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) techniques have been very successful in obtaining molecular conformation and dynamics information. Unfortunately, standard NMR and NQR spectrometers are unable to adequately detect resonances below a few megahertz due to the frequency dependent sensitivity of their Faraday coil detectors. For this reason a new spectrometer with a dc SQUID (Superconducting Quantum Interference Device) detector, which has no such frequency dependence, has been developed. Previously, this spectrometer was used to observe ^ {11}B and ^{27} Al NQR resonances. I have increased the scope of this study to include ^{23}Na, ^{51}V, and ^ {55}Mn NQR transitions. Also, I present a technique to observe ^{14}N NQR resonances through cross relaxation of the nitrogen polarization to adjacent proton spins. When the proton Zeeman splitting matches one nitrogen quadrupolar transition the remaining two ^ {14}N transitions can be detected by sweeping a saturating rf field through resonance. Additionally, simultaneous excitation of two nitrogen resonances provides signal enhancement which helps to connect transitions from the same site. In this way, we have observed nitrogen -14 resonances in several amino acids and polypeptides. This spectrometer has also been useful in the direct detection of methyl quantum tunneling splittings at 4.2 K. Tunneling frequencies of a homologous series of carboxylic acids were measured and for solids with equivalent crystal structures, an exponential correlation between the tunneling frequency and the enthalpy of fusion is observed. This correlation provides information about the contribution of intermolecular interactions to the energy barrier for methyl rotation.

  14. Inductive detection of piezoelectric resonance by using a pulse NMR/NQR spectrometer

    Science.gov (United States)

    Choi, K.; Yu, I.

    1989-10-01

    An inductive excitation and detection scheme of piezoelectric resonance is shown using a conventional pulse NMR/NQR spectrometer and its associated experimental techniques. This new method has advantages over the previous capacitive scheme since the measurement does not require any electrode to be attached to the sample. For a test we investigated the piezoelectric resonance observed inductively from a 3.5-MHz AT-cut quartz crystal.

  15. A Computer-controlled, Fully Automatic NMR/NQR Double Resonance Spectrometer

    Science.gov (United States)

    Zhenye, Feng; Lücken, Edwin A. C.; Diolot, Jacques

    1992-02-01

    A completely automatic computer-controlled NMR/NQR double resonance spectrometer is described. It features automatic tuning of the low, variable frequency power amplifier, thus permitting untended use over long periods, with high sensitivity and signal reproducibility. The sample is transferred between the low-frequency, zero-field region and the high-field region using compressed air and the possibility of switching on a field of several tens of gauss during the transfer of the sample is also included

  16. Microprocessor-Controlled Pulsed NQR Spectrometer for Automatic Acquisition of Zeeman Perturbed Nuclear Quadrupole Spin Echo Envelope Modulations (ZSEEM )

    Science.gov (United States)

    Reddy, Narsimha; Bhavsar, Arun; Narasimhan, P. T.

    1986-02-01

    A simple microprocessor-controlled pulsed NQR spectrometer system has been developed with the capability to acquire Zeeman perturbed spin echo envelope modulations (ZSEEM). The CPU of the system is based on the Intel Corporation 8085 A microprocessor. The performance of the spectrometer is illustrated with the presentation of ZSEEM spectra of NaClO3 and KClO3.

  17. The Q-spoiler for pulse NQR spectrometer head; Przelacznik dobroci obwodu glowicy pomiarowej do impulsowego spektrometru NQR

    Energy Technology Data Exchange (ETDEWEB)

    Ostafin, M.; Nogaj, B. [Inst. Fizyki, Univ. A. Mickiewicza, Poznan (Poland); Bojarski, M. [MBC Zaklad Elektroniki Profesjonalnej, Stare Babice (Poland)

    1995-12-31

    The Q-factor switching system (Q-spoiler) for NQR measuring head is presented. The facility is designed for multipulse sequences SLSE (Spin-Locked Spin Echo) and SORC (Strong Off-Resonance Comb) measuring of weak NQR lines from {sup 14}N. 3 refs, 1 fig.

  18. Rotating samples in FT-RAMAN spectrometers

    Science.gov (United States)

    De Paepe, A. T. G.; Dyke, J. M.; Hendra, P. J.; Langkilde, F. W.

    1997-11-01

    It is customary to rotate samples in Raman spectroscopy to avoid absorption or sample heating. In FT-Raman experiments the rotation is always shown (typically 30-60 rpm) because higher speeds are thought to generate noise in the spectra. In this article we show that more rapid rotation is possible. A tablet containing maleic acid and one made up of sub-millimetre silica particles with metoprolol succinate as active ingredient were rotated at different speeds, up to 6760 rpm. The FT-Raman spectra were recorded and studied. We conclude that it is perfectly acceptable to rotate samples up to 1500 rpm.

  19. Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides.

    Science.gov (United States)

    Kubišta, Jiří; Civiš, Martin; Spaněl, Patrik; Civiš, Svatopluk

    2012-03-21

    A combination of nuclear quadrupole resonance spectroscopy (NQR) and mass spectrometry (MS) has been used to observe trends in electronic structure in three titanocenes: bis(cyclopentadienyl) titanium dichloride (η(5)-C(5)H(5))(2)TiCl(2), bis(pentamethylcyclopentadienyl) titanium dichloride (η(5)-C(5)(CH(3))(5))(2)TiCl(2) and dimethylsilylene-bridged ansa bis(cyclopentadienyl) titanium dichloride Si(CH(3))(2)(η(5)-C(5)H(5))(2)TiCl(2). Using MS, electron ionisation mass spectra of these compounds are presented within the context of the entire homologous series with one to five methyl groups on each cyclopentadienyl ligand. A dedicated NQR spectrometer was constructed for this study with a sensitivity sufficient to precisely determine the NQR resonant frequency of (35)Cl atoms using 3 g samples of these titanocenes. The observed frequencies are thus 11.784, 11.930 and 10.863 MHz at 298 K. The results demonstrate that NQR using a relatively simple apparatus can be used as a sensitive and cost effective probe into the molecular structure of organometallic chlorides, which complements the information inferred from the mass spectra.

  20. Miniaturized FT-IR spectrometer for industrial process measurements

    Science.gov (United States)

    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

  1. Application of 14N NQR to the study of piroxicam polymorphism.

    Science.gov (United States)

    Lavrič, Zoran; Pirnat, Janez; Lužnik, Janko; Seliger, Janez; Zagar, Veselko; Trontelj, Zvonko; Srčič, Stane

    2010-12-01

    A study was conducted to test the capability of the (14)N nuclear quadrupole resonance (NQR) method to discriminate qualitatively and quantitatively among different forms of piroxicam. Samples of commercial piroxicam form I and its monohydrate were obtained on the local market. Additionally, samples of form I and II were prepared by recrystallization in 1,2-dichloroethane and ethanol, respectively. DSC and FT-IR were employed as reference methods. A (14)N NQR spectrometer was used to measure samples of different forms and mixtures of piroxicam at 2587 and 3439  kHz. DSC and FT-IR clearly confirmed differences between the different piroxicam forms. Measurements of (14)N NQR signals of different forms of piroxicam at 2587  kHz detected only spectral peaks of form I. The dependence of (14)N NQR signal intensity on the concentration of form I in mixtures with the monohydrate showed a clear linear relationship at both measured frequencies, though the scattering of data was greater at 3439  kHz due to the lower S/N ratio. The (14)N NQR method has the potential to become an additional and important spectroscopic tool in the study of solid-state forms, not only of pure active pharmaceutical ingredients or excipients, but also of their mixtures. This ability lends the method to a possible successful utilization at different levels of pharmaceutical manufacturing and product quality control.

  2. High performance gamma-ray spectrometer for runaway electron studies on the FT-2 tokamak

    Science.gov (United States)

    Shevelev, A. E.; Khilkevitch, E. M.; Lashkul, S. I.; Rozhdestvensky, V. V.; Altukhov, A. B.; Chugunov, I. N.; Doinikov, D. N.; Esipov, L. A.; Gin, D. B.; Iliasova, M. V.; Naidenov, V. O.; Nersesyan, N. S.; Polunovsky, I. A.; Sidorov, A. V.; Kiptily, V. G.

    2016-09-01

    A gamma-ray spectrometer based on LaBr3(Ce) scintillator has been used for measurements of hard X-ray emission generated by runaway electrons in the FT-2 tokamak plasmas. Using of the fast LaBr3(Ce) has allowed extending count rate range of the spectrometer by a factor of 10. A developed digital processing algorithm of the detector signal recorded with a digitizer sampling rate of 250 MHz has provided a pulse height analysis at count rates up to 107 s-1. A spectrum deconvolution code DeGaSum has been applied for inferring the energy distribution of runaway electrons escaping from the plasma and interacting with materials of the FT-2 limiter in the vacuum chamber. The developed digital signal processing technique for LaBr3(Ce) spectrometer has allowed studying the evolution of runaways energy distribution in the FT-2 plasma discharges with time resolution of 1-5 ms.

  3. 14N NQR and phase transitions in tetracyanoquinodimethanide alkaline salts

    Science.gov (United States)

    Ambrosetti, R.; Angelone, R.; Colligiani, A.; Murgich, J.

    1983-12-01

    14N NQR lines of RbTCNQ and NaTCNQ polycrystalline samples, measured as a function of temperature, show small but sharp discontinuities at the regular-alternant phase transition (found respectively at 214 K and 346 K), together with the expected change in spectral multiplicity. No ν - lines were detected in NaTCNQ. Co-existence of phases, more marked in NaTCNQ, shows up in NQR data. The use of a pulsed, FT spectrometer yields estimates of T 1 relaxation time: it shows no discontinuity at the phase transition, is around 1 ms at room temperature for ν+ lines, more than 2 order of magnitudes larger for ν - lines, increases smoothly on decreasing temperature.

  4. Monitoring of the molecular structure of lubricant oil using a FT-Raman spectrometer prototype

    Science.gov (United States)

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

    2014-05-01

    The determination of the physical state of the lubricant materials in complex mechanical systems is highly critical from different points of view: operative, economical, environmental, etc. Furthermore, there are several parameters that a lubricant oil must meet for a proper performance inside a machine. The monitoring of these lubricants can represent a serious issue depending on the analytical approach applied. The molecular change of aging lubricant oils have been analyzed using an all-standard-components and self-designed FT-Raman spectrometer. This analytical tool allows the direct and clean study of the vibrational changes in the molecular structure of the oils without having direct contact with the samples and without extracting the sample from the machine in operation. The FT-Raman spectrometer prototype used in the analysis of the oil samples consist of a Michelson interferometer and a self-designed photon counter cooled down on a Peltier element arrangement. The light coupling has been accomplished by using a conventional 62.5/125μm multi-mode fiber coupler. The FT-Raman arrangement has been able to extract high resolution and frequency precise Raman spectra, comparable to those obtained with commercial FT-Raman systems, from the lubricant oil samples analyzed. The spectral information has helped to determine certain molecular changes in the initial phases of wearing of the oil samples. The proposed instrument prototype has no additional complex hardware components or costly software modules. The mechanical and thermal irregularities influencing the FT-Raman spectrometer have been removed mathematically by accurately evaluating the optical path difference of the Michelson interferometer. This has been achieved by producing an additional interference pattern signal with a λ= 632.8 nm helium-neon laser, which differs from the conventional zero-crossing sampling (also known as Connes advantage) commonly used by FT-devices. It enables the FT-Raman system to

  5. High performance gamma-ray spectrometer for runaway electron studies on the FT-2 tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Shevelev, A.E., E-mail: Shevelev@cycla.ioffe.ru [Ioffe Institute, Politekhnicheskaya 26, St. Petersburg 194021 (Russian Federation); Khilkevitch, E.M.; Lashkul, S.I.; Rozhdestvensky, V.V.; Altukhov, A.B.; Chugunov, I.N.; Doinikov, D.N.; Esipov, L.A.; Gin, D.B.; Iliasova, M.V.; Naidenov, V.O.; Nersesyan, N.S.; Polunovsky, I.A.; Sidorov, A.V. [Ioffe Institute, Politekhnicheskaya 26, St. Petersburg 194021 (Russian Federation); Kiptily, V.G. [CCFE, Culham Science Centre, Abingdon, Oxon X14 3DB (United Kingdom)

    2016-09-11

    A gamma-ray spectrometer based on LaBr{sub 3}(Ce) scintillator has been used for measurements of hard X-ray emission generated by runaway electrons in the FT-2 tokamak plasmas. Using of the fast LaBr{sub 3}(Ce) has allowed extending count rate range of the spectrometer by a factor of 10. A developed digital processing algorithm of the detector signal recorded with a digitizer sampling rate of 250 MHz has provided a pulse height analysis at count rates up to 10{sup 7} s{sup −1}. A spectrum deconvolution code DeGaSum has been applied for inferring the energy distribution of runaway electrons escaping from the plasma and interacting with materials of the FT-2 limiter in the vacuum chamber. The developed digital signal processing technique for LaBr{sub 3}(Ce) spectrometer has allowed studying the evolution of runaways energy distribution in the FT-2 plasma discharges with time resolution of 1–5 ms.

  6. Design of an FT-NIR spectrometer for online quality analysis of traditional Chinese medicine manufacturing process

    Science.gov (United States)

    Zhu, Ren; Wu, Lan; Wang, Shiming; Ye, Linhua; Ding, Zhihua

    2008-03-01

    As a fast, non-destructive analysis method, Fourier transform (FT) near-infrared (NIR) spectroscopy is very suitable and effective for online quality analysis of traditional Chinese medicine (TCM) manufacturing process. In this thesis, the theoretics of FT-NIRS was analyzed and an FT-NIR spectrometer with 4 cm -1 resolution in the 12500-5000 cm -1 frequency range was designed. The spectrometer was based on a Michelson interferometer with Bromine tungsten lamp as the NIR light source and InGaAs detector to collect the interference signal. Each element was designed and chosen to provide maximum sensitivity in the NIR spectral region. A fiber-optic flow cell system was used to realize online analysis of traditional Chinese medicine. The performance of the spectrometer was evaluated and the feasibility of using FT-NIR spectrometer to get absorption spectra of traditional Chinese medicine was demonstrated.

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

    Science.gov (United States)

    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.

  8. Measurement of single moving particle temperatures with an FT-IR spectrometer

    DEFF Research Database (Denmark)

    Clausen, Sønnik; Sørensen, L.H.

    1996-01-01

    A conventional scanning FT-IR spectrometer is used to measure the blackbody radiation through a rapidly moving pinhole in an experiment simulating a dying hot particle. The effects and errors from source movements are analyzed and verified through experiments. The importance of the scanning...... velocity, phase-correction method, and temperature variations during scanning is investigated. It is shown that a calibration of the system at one temperature is sufficient for accurate spectral radiance and temperature measurements throughout a broad temperature range. The temperature errors are reduced...... by a factor of 2-10 compared with results from a typical two-color pyrometer. A novel method is presented for measuring emission spectra from single moving particles passing the field of view of the spectrometer in a random manner....

  9. A magnetic 4π goniometer for Zeeman-split NQR

    Science.gov (United States)

    Nagarajan, V.; Weiden, Norbert; Wendel, Richard; Weiss, Alarich

    With the aid of three mutually perpendicular Helmholtz coils a 4π Zeeman goniometer is constructed for application in NQR spectroscopy. Details of the construction are given. The spectrometer is cheked by measuring the zero splitting cone of 35Cl NQR in a single crystal of NaClO 3 at room temperature. The precision of the goniometer is evaluated.

  10. Zeeman study of 35Cl NQR in tetrachlorocyclopentene-1,3-dione

    Science.gov (United States)

    Mano, K.; Sengupta, S.; Giezendanner, D.; Lucken, E. A. C.

    1983-01-01

    The 35Cl NQR Zeeman spectrum in a single crystal of tetrachlorocyclopentene-1,3-dione has been studied for the two lines, 38734.1 (H) and 35667.0 (L) KHz at 21°C by a pulsed FT NQR spectrometer equipped for automatic measurements. Each line yields 12 efgt's in a magnetic field. Their directional symmetry (three two-fold and four three-fold axes) indicates that the crystal system is cubic. This is confirmed by its X-ray powder pattern and inspection with the polarization microscope; space group Fd3 or Fm3, a = 21.910 Å, Z = 48, D c = 1.78, D o = 1.75 . The molecular structure and the molecular orientations in the unit cell are determined from the results. The η-values are 5.8 and 21.6% for H and L, respectively.

  11. Broad-band FT-ICR detection at the Penning trap mass spectrometer TRIGA-TRAP

    Energy Technology Data Exchange (ETDEWEB)

    Knuth, Konstantin; Eibach, Martin; Ketelaer, Jens; Ketter, Jochen; Sturm, Sven [Institut fuer Physik, Universitaet Mainz (Germany); Blaum, Klaus [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Physikalisches Institut, Universitaet Heidelberg Heidelberg (Germany); Block, Michael; Herfurth, Frank [GSI, Helmholtzzentrum fuer Schwerionenforschung, Darmstadt (Germany); Eberhardt, Klaus [Institut fuer Kernchemie, Universitaet Mainz (Germany); Nagy, Szilard [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Repp, Julia [Institut fuer Physik, Universitaet Mainz (Germany); Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Smorra, Christian [Physikalisches Institut, Universitaet Heidelberg Heidelberg (Germany); Institut fuer Kernchemie, Universitaet Mainz (Germany); Ulmer, Stefan [Institut fuer Physik, Universitaet Mainz (Germany); Physikalisches Institut, Universitaet Heidelberg Heidelberg (Germany)

    2009-07-01

    The double Penning trap mass spectrometer TRIGA-TRAP will perform high-precision mass measurements on exotic neutron-rich nuclides, which are produced via neutron-induced fission of actinide targets at the research reactor TRIGA Mainz. In order to determine which ion species are present in the ion bunch delivered to the Penning trap system, a non-destructive ion detection technique will be implemented in the cylindrical purification trap. This so called broad-band Fourier transform ion cyclotron resonance (FT-ICR) detection technique is based on the detection of image currents, induced by the ions in the trap electrodes. To this end, a new cryogenic low-noise broad-band amplifier is being designed and tested. With this system the identification of contaminations will be possible without the need to eject ions from the trap as usually done at other facilities. The setup as well as its present status are presented.

  12. FMN is covalently attached to a threonine residue in the NqrB and NqrC subunits of Na(+)-translocating NADH-quinone reductase from Vibrio alginolyticus.

    Science.gov (United States)

    Hayashi, M; Nakayama, Y; Yasui, M; Maeda, M; Furuishi, K; Unemoto, T

    2001-01-12

    The Na(+)-translocating NADH-quinone reductase (NQR) from Vibrio alginolyticus is composed of six subunits (NqrA to NqrF). We previously demonstrated that both NqrB and NqrC subunits contain a flavin cofactor covalently attached to a threonine residue. Fluorescent peptide fragments derived from the NqrB and NqrC subunits were applied to a matrix-assisted laser desorption ionization time-of-flight mass spectrometer, and covalently attached flavin was identified as FMN in both subunits. From post-source decay fragmentation analysis, it was concluded that FMN is attached by a phosphate group to Thr-235 in the NqrB subunit and to Thr-223 in the NqrC subunit. The phosphoester binding of FMN to a threonine residue reported here is a new type of flavin attachment to a polypeptide.

  13. (CH3)3CCOOSbCl4: Structure Determination by Zeeman Perturbed NQR

    Science.gov (United States)

    Garcia, Maria L. S.; Lucken, Edwin A. C.

    1986-02-01

    Zeeman perturbed 35Cl NQR, using a FT-NQR pulsed spectrometer. The four lines at zero-field, ν1 = 27.6468, ν2= 27.3070, ν3= 25.7341 and ν4= 25.3438 MHz yield eight EFG tensors in themagnetic field, related by a twofold symmetry element in the crystal. The correspondingasymmetry parameters are η1, = 0.134, η2 = 0.13, η3= 0.07, and η4 = 0.09. The molecular structurededuced from the relative orientations of the principal Z-axes of the EFG tensors confirms that thehigher quadrupole coupling constants are associated with the chlorine atoms in equatorial positions,relative to the plane of the organic ligand, as predicted from NQR powder studies. It is concludedthat the crystal structure is monoclinic with two (class m or 2) or four (class 2/m) moleculesper unit cell. The molecular packing is such that the planes formed by equatorial or axial chlorineatoms are approximately at right angles to their symmetry related images.

  14. Magnetic dipole interaction and line widths in NQR: 35Cl NQR spectrum of chloroform

    Science.gov (United States)

    Subramanian, V. Harihara; Narasimhan, P. T.

    35 Cl NQR spectra of CHC1 3 and CDCl 3 have been recorded at 77 K with an injection and phase-locked NQR spectrometer. The theoretical 35Cl NQR spectrum of CHC1 3 has been computed with the inclusion of H-C1 intramolecular magnetic dipole Interaction In the quadrupole Hamiltonian. It has been possible to obtain the H-C1 internuclear distance in the CHC1 3 molecule by assuming that contributions to 35Cl NQR line width from static electric effects and relaxation effects are the same in CHC1 3 and CDCl 3 and that the magnetic dipole interaction contribution to 35Cl NQR line width in CDCl 3 is negligible. The calculated H-C1 distance values are: 2.34 Å for the 'a' site and 2.49 Å for the 'b' site. These values may be compared with the x-ray value of 2.31 Å. It has also been possible to assign the observed NQR frequencies to the appropriate chlorine sites in the unit cell.

  15. NQR Studies of Atomic Arrangements and Chemical Bonding in Glasses

    Science.gov (United States)

    Lee, Donghoon; Gravina, S. J.; Bray, P. J.

    1990-04-01

    A very high sensitivity continuous wave NQR spectrometer was developed to detect pure NQR transitions at low frequencies (down to 200 kHz). A signal-to-noise ratio of more than 100 to 1 has been achieved at about 1.36 MHz for crystalline B 2 0 3 . Two large n B responses have been found in vitreous B 2 0 3 (NMR detected only one site) with linewidths of less than 30 kHz. 27 A1 NQR spectra were obtained for OC-A1203 (Corundum), the mineral andalusite (a form of A1203 • Si0 2), and a glass having the composition of anorthite (CaO • A1203 • 2Si0 2). A very high sensitivity continuous wave NQR spectrometer was developed to detect pure NQR transitions at low frequencies (down to 200 kHz). A signal-to-noise ratio of more than 100 to 1 has been achieved at about 1.36 MHz for crystalline B2O3 . Two large 11 B responses have been found in vitreous B2O3 (NMR detected only one site) with linewidths of less than 30 kHz. 27Al NQR spectra were obtained for α- Al2O3 (Corundum), the mineral andalusite (a form of Al2O3 · SiO2), and a glass having the composition of anorthite (CaO · Al2O3 ·2SiO2).

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

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

    2012-06-01

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

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

    Science.gov (United States)

    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.

  19. NQR studies on 2,5-dichlorophenol

    Science.gov (United States)

    Kasturi, Alapati; Venkatacharyulu, P.; Premaswarup, D.

    1990-11-01

    Nuclear quadrupole resonance (NQR) Zeeman effect studies were carried out on cylindrical single crystals of 2,5-dichlorophenol, using the two 35Cl-NQR frequencies. A self-quenched superregenerative NQR spectrometer was used, and the spectra were analysed ot obtain information on the nature of the crystalline unit cell. An analysis of the experimental data reveals that: (1) the results are in good agreement with the structural reports of Bavoux and Perrin; (2) the crystal unequivocally belongs to the monoclinic system; (3) there are two crystallographically equivalent but physically inequivalent directions for the principal field gradient axes for both the low- and high-frequency resonance lines; (4) as the number of physically inequivalent directions for each of the two resonance lines is two, the minimum number of molecules per unit cell is two; (5) the b axis (90°,90°) is identified as the symmetry axis; (6) the growth axis is slightly inclined to the c axis; (7) the asymmetry parameters obtained for the loci corresponding to the low-frequency line, which is hydrogen bonded, are greater than those for the high-frequency line, which is nonhydrogen bonded; (8) the double-bond character is greater for the hydrogen-bonded chlorine than for the non-hydrogen-bonded chlorine; (9) the ratios of the various bond characters estimated for both the low- and high-frequency resonance lines are 69:24:7 and 74:24:2.

  20. The measurement of in situ stress using NQR/NMR

    Science.gov (United States)

    Schempp, E.; Murdoch, J. B.; Klainer, S. M.

    1982-09-01

    The measurement of stress in rocks underground is a difficult but very important problem in mining engineering and in the design of underground waste repositories. The structural stability of any excavation is critically dependent on the stress distribution in the surrounding rock and its capability to bear the stress, which can build up to hundreds of atmospheres in deep mines. Because existing methods for the determination of stress have limitations, Lawrence Berkeley Laboratory (LBL) has been investigating the use of spectroscopic techniques - nuclear quadrupole resonance (NQR) and nuclear magnetic resonance (NMR) - for rapid in situ measurements of three-dimensional stress in both salt and hard rock. Efforts in the past year have been directed toward computer simulation of boreholes stress patterns and NQR lineshapes, laboratory measurements on salt and aluminosilicates, and construction of a state-of-the-art pulsed NQR spectrometer.

  1. NQR Study of the Structural Phase Transition in 1,2-Diphenylhydrazine

    Science.gov (United States)

    Matsuura, Hazime; Matsuzaki, Tomio; Fukazawa, Yuji; Abe, Yoshihito

    1982-12-01

    14N NQR lines in 1,2-diphenylhydrazine have been investigated between 4.2 K and 370 K by using a pulsed spectrometer. With increasing temperature, the number of resonance line in NQR spectra decreased from six lines to three lines above 115 K. The temperature dependence of resonance lines reveals that 1,2-diphenylhydrazine makes a second order structural phase transition around 115 K. An information about the molecular structure is also obtained.

  2. Quadrupole Coupling Parameters and Structural Aspects of Crystalline and Amorphous Solids by NMR and Nqr.

    Science.gov (United States)

    Mao, Degen

    Nuclear quadrupole interaction is very sensitive to the local electron distribution and chemical bondings. NMR and NQR techniques have been combined to obtain the quadrupole coupling constant ({Qcc}) and asymmetry parameter (eta) and extract structural information for several borate, gallate, and metavanadate compounds and glasses. ^{71}Ga and ^{69}Ga NMR has been used to study crystalline beta-Ga _2O_3 and several gallate glasses. Quadrupole parameters were acquired for GaO_6 and GaO_4 units in beta-Ga_2 O_3 by the computer simulation of the NMR powder patterns. A sensitive CW NQR spectrometer was built to detect NQR resonances below 2 MHz. The spectrometer includes a modified Robinson oscillator-detector, a new bi-symmetric square wave Zeeman modulator and a computerized data acquisition system. ^{51}V (I = 7/2) NQR resonances below 850 kHz have been detected for several metavanadates at both room temperature and liquid nitrogen temperature. Quadrupole parameters thus obtained are an order of magnitude more accurate than values obtained by previous NMR studies. For a spin 3/2 nucleus, the pure NQR frequency {Q_{cc}over 2}sqrt{1+{eta^2over 3}}is insufficient to determine either Q_{cc} or eta. However, two methods, Zeeman perturbed NQR powder pattern and ^{10}B NQR, can be employed to obtain both Q_{cc } and eta. An example is given for ^{11}B in CaO-B_2O_3. With a double coil tank circuit design, pure ^ {11}B NQR was used to determine the fraction of borons in BO_3 and BO _4 configurations in hydrated zinc borates. ^{11}B NMR and NQR were also used to study lead borate glasses. Small changes in Q_{cc} (less than 2%) and eta (less than 0.1) suggest that BO_3 units with non-bridging oxygens are not present in the lead borate glasses.

  3. Millimeter-Wave Spectroscopy for Analytical Chemistry: Thermal Evolution of Low Volatility Impurities and Detection with a Fourier Transform Molecular Rotational Resonance Spectrometer (tev Ft-Mrr

    Science.gov (United States)

    Harris, Brent; Fields, Shelby S.; Neill, Justin L.; Pulliam, Robin; Muckle, Matt; Pate, Brooks

    2016-06-01

    Recent advances in Fourier transform millimeter-wave spectroscopy techniques have renewed the application reach of molecular rotational spectroscopy for analytical chemistry. We present a sampling method for sub ppm analysis of low volatility impurities by thermal evolution from solid powders using a millimeter-wave Fourier transform molecular rotational resonance (FT-MRR) spectrometer for detection. This application of FT-MRR is relevant to the manufacturing of safe oral pharmaceuticals. Low volatility impurities can be challenging to detect at 1 ppm levels with chromatographic techniques. One such example of a potentially mutagenic impurity is acetamide (v.p. 1 Torr at 40 C, m.p. 80 C). We measured the pure reference spectrum of acetamide by flowing the sublimated vapor pressure of acetamide crystals through the FT-MRR spectrometer. The spectrometer lower detection level (LDL) for a broadband (> 20 GHz, 10 min.) spectrum is 300 nTorr, 30 pmol, or 2 ng. For a 50 mg powder, perfect sample transfer efficiency can yield a w/w % detection limit of 35 ppb. We extended the sampling method for the acetamide reference measurement to an acetaminophen sample spiked with 5000 ppm acetamide in order to test the sample transfer efficiency when liberated from an pharmaceutical powder. A spectral reference matching algorithm detected the presence of several impurities including acetaldehyde, acetic acid, and acetonitrile that evolved at the melting point of acetaminophen, demonstrating the capability of FT-MRR for identification without a routine chemical standard. The method detection limit (MDL) without further development is less than 10 ppm w/w %. Resolved FT-MRR mixture spectra will be presented with a description of sampling methods.

  4. Iodine NQR and Phase Transitions in [N(CH3)4]2 ZnI4

    Science.gov (United States)

    Pirnat, J.; Lužnik, J.; Trontelj, Z.

    1990-04-01

    Using a superregenerative NQR spectrometer, the temperature dependence of 127I NQR spectra in [N(CH3)4]2ZnI4 was measured between 167 and 335 K. The measurements confirm two known structural phase transitions at 219 and 257.5 K. The correspondence between the distinct regions of iodine NQR spectra and the crystal structure is discussed. The relation of [N(CH3)4]2ZnI4 to the incommensurate family with the general formula X2YZ4 and the high temperature (paraphase) crystal space group D162h (Pmcn) is studied.

  5. SQUID detected NMR and NQR. Superconducting Quantum Interference Device.

    Science.gov (United States)

    Augustine, M P; TonThat, D M; Clarke, J

    1998-03-01

    The dc Superconducting QUantum Interference Device (SQUID) is a sensitive detector of magnetic flux, with a typical flux noise of the order 1 muphi0 Hz(-1/2) at liquid helium temperatures. Here phi0 = h/2e is the flux quantum. In our NMR or NQR spectrometer, a niobium wire coil wrapped around the sample is coupled to a thin film superconducting coil deposited on the SQUID to form a flux transformer. With this untuned input circuit the SQUID measures the flux, rather than the rate of change of flux, and thus retains its high sensitivity down to arbitrarily low frequencies. This feature is exploited in a cw spectrometer that monitors the change in the static magnetization of a sample induced by radio frequency irradiation. Examples of this technique are the detection of NQR in 27Al in sapphire and 11B in boron nitride, and a level crossing technique to enhance the signal of 14N in peptides. Research is now focused on a SQUID-based spectrometer for pulsed NQR and NMR, which has a bandwidth of 0-5 MHz. This spectrometer is used with spin-echo techniques to measure the NQR longitudinal and transverse relaxation times of 14N in NH4ClO4, 63+/-6 ms and 22+/-2 ms, respectively. With the aid of two-frequency pulses to excite the 359 kHz and 714 kHz resonances in ruby simultaneously, it is possible to obtain a two-dimensional NQR spectrum. As a third example, the pulsed spectrometer is used to study NMR spectrum of 129Xe after polariza-tion with optically pumped Rb. The NMR line can be detected at frequencies as low as 200 Hz. At fields below about 2 mT the longitudinal relaxation time saturates at about 2000 s. Two recent experiments in other laboratories have extended these pulsed NMR techniques to higher temperatures and smaller samples. In the first, images were obtained of mineral oil floating on water at room temperature. In the second, a SQUID configured as a thin film gradiometer was used to detect NMR in a 50 microm particle of 195Pt at 6 mT and 4.2 K.

  6. Scientific Support for NQR Explosive Detection Development

    Science.gov (United States)

    2006-07-01

    Final 3. DATES COVERED (From - To) 8 March 2004 - 7 March 2006 4. TITLE AND SUBTITLE Scientific Support for NQR Explosive Detection Development...Laboratory (NRL) to improve explosive detection using nuclear quadrupole resonance ( NQR ) is summarized. The work includes studies of the effects...superconducting coils for explosive detection. Additional studies involving slowly rotating NQR measurements were also pursued. 15. SUBJECT TERMS Nuclear

  7. Comparing the analytical performances of Micro-NIR and FT-NIR spectrometers in the evaluation of acerola fruit quality, using PLS and SVM regression algorithms.

    Science.gov (United States)

    Malegori, Cristina; Nascimento Marques, Emanuel José; de Freitas, Sergio Tonetto; Pimentel, Maria Fernanda; Pasquini, Celio; Casiraghi, Ernestina

    2017-04-01

    The main goal of this study was to investigate the analytical performances of a state-of-the-art device, one of the smallest dispersion NIR spectrometers on the market (MicroNIR 1700), making a critical comparison with a benchtop FT-NIR spectrometer in the evaluation of the prediction accuracy. In particular, the aim of this study was to estimate in a non-destructive manner, titratable acidity and ascorbic acid content in acerola fruit during ripening, in a view of direct applicability in field of this new miniaturised handheld device. Acerola (Malpighia emarginata DC.) is a super-fruit characterised by a considerable amount of ascorbic acid, ranging from 1.0% to 4.5%. However, during ripening, acerola colour changes and the fruit may lose as much as half of its ascorbic acid content. Because the variability of chemical parameters followed a non-strictly linear profile, two different regression algorithms were compared: PLS and SVM. Regression models obtained with Micro-NIR spectra give better results using SVM algorithm, for both ascorbic acid and titratable acidity estimation. FT-NIR data give comparable results using both SVM and PLS algorithms, with lower errors for SVM regression. The prediction ability of the two instruments was statistically compared using the Passing-Bablok regression algorithm; the outcomes are critically discussed together with the regression models, showing the suitability of the portable Micro-NIR for in field monitoring of chemical parameters of interest in acerola fruits.

  8. Characterization of chemical constituents in Rhodiola Crenulate by high-performance liquid chromatography coupled with Fourier-transform ion cyclotron resonance mass spectrometer (HPLC-FT-ICR MS).

    Science.gov (United States)

    Han, Fei; Li, Yanting; Mao, Xinjuan; Xu, Rui; Yin, Ran

    2016-05-01

    In this work, an approach using high-performance liquid chromatography coupled with diode-array detection and Fourier-transform ion cyclotron resonance mass spectrometer (HPLC-FT-ICR MS) for the identification and profiling of chemical constituents in Rhodiola crenulata was developed for the first time. The chromatographic separation was achieved on an Inertsil ODS-3 column (150 mm × 4.6 mm,3 µm) using a gradient elution program, and the detection was performed on a Bruker Solarix 7.0 T mass spectrometer equipped with electrospray ionization source in both positive and negative modes. Under the optimized conditions, a total of 48 chemical compounds, including 26 alcohols and their glycosides, 12 flavonoids and their glycosides, 5 flavanols and gallic acid derivatives, 4 organic acids and 1 cyanogenic glycoside were identified or tentatively characterized. The results indicated that the developed HPLC-FT-ICR MS method with ultra-high sensitivity and resolution is suitable for identifying and characterizing the chemical constituents in R. crenulata. And it provides a helpful chemical basis for further research on R. crenulata. Copyright © 2016 John Wiley & Sons, Ltd.

  9. Automatically Tuned Probe Head System for Pulsed NQR Spectroscopy in Extreme Thermodynamic Conditions

    Science.gov (United States)

    Ostafin, Michał; Maćkowiak, Mariusz; Bojarski, Marek

    1994-02-01

    A complete N Q R probe-head system operating in the frequency ranges 0.5 -150 and 150- 300 MHz is described. The head is particularly suited for NQR experiments carried out at a remote location, for example in a low-temperature cryostat or high-pressure chamber. Moreover, the head system includes a microprocessor-controller for automated tuning of the probe to the operating frequency of the associated NQR spectrometer. The controller can be easily interfaced to a PC via standard serial port.

  10. Automated Nuclear Quadruple Resonance Spectrometer

    Directory of Open Access Journals (Sweden)

    IVANCHUK, M.

    2008-06-01

    Full Text Available Improvement of an autodyne Nuclear quadruple resonance spectrometer is offered. The change of frequency of oscillatory LC circuit of the spectrometer is carried out in two ways: by varicap and variable capacitor. A processor module for the capacitor and varicap control is developed. The unit allows to scan and measure the level and frequency of the NQR-signal. The unit is controlled by the personal computer.

  11. Automated Nuclear Quadruple Resonance Spectrometer

    OpenAIRE

    2008-01-01

    Improvement of an autodyne Nuclear quadruple resonance spectrometer is offered. The change of frequency of oscillatory LC circuit of the spectrometer is carried out in two ways: by varicap and variable capacitor. A processor module for the capacitor and varicap control is developed. The unit allows to scan and measure the level and frequency of the NQR-signal. The unit is controlled by the personal computer.

  12. Front-End Electron Transfer Dissociation Coupled to a 21 Tesla FT-ICR Mass Spectrometer for Intact Protein Sequence Analysis

    Science.gov (United States)

    Weisbrod, Chad R.; Kaiser, Nathan K.; Syka, John E. P.; Early, Lee; Mullen, Christopher; Dunyach, Jean-Jacques; English, A. Michelle; Anderson, Lissa C.; Blakney, Greg T.; Shabanowitz, Jeffrey; Hendrickson, Christopher L.; Marshall, Alan G.; Hunt, Donald F.

    2017-09-01

    High resolution mass spectrometry is a key technology for in-depth protein characterization. High-field Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) enables high-level interrogation of intact proteins in the most detail to date. However, an appropriate complement of fragmentation technologies must be paired with FTMS to provide comprehensive sequence coverage, as well as characterization of sequence variants, and post-translational modifications. Here we describe the integration of front-end electron transfer dissociation (FETD) with a custom-built 21 tesla FT-ICR mass spectrometer, which yields unprecedented sequence coverage for proteins ranging from 2.8 to 29 kDa, without the need for extensive spectral averaging (e.g., 60% sequence coverage for apo-myoglobin with four averaged acquisitions). The system is equipped with a multipole storage device separate from the ETD reaction device, which allows accumulation of multiple ETD fragment ion fills. Consequently, an optimally large product ion population is accumulated prior to transfer to the ICR cell for mass analysis, which improves mass spectral signal-to-noise ratio, dynamic range, and scan rate. We find a linear relationship between protein molecular weight and minimum number of ETD reaction fills to achieve optimum sequence coverage, thereby enabling more efficient use of instrument data acquisition time. Finally, real-time scaling of the number of ETD reactions fills during method-based acquisition is shown, and the implications for LC-MS/MS top-down analysis are discussed. [Figure not available: see fulltext.

  13. Mass measurements on neutron-deficient nuclides at SHIPTRAP and commissioning of a cryogenic narrow-band FT-ICR mass spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Ferrer Garcia, R.

    2007-07-01

    The dissertation presented here deals with high-precision Penning trap mass spectrometry on short-lived radionuclides. Owed to the ability of revealing all nucleonic interactions, mass measurements far off the line of {beta}-stability are expected to bring new insight to the current knowledge of nuclear properties and serve to test the predictive power of mass models and formulas. In nuclear astrophysics, atomic masses are fundamental parameters for the understanding of the synthesis of nuclei in the stellar environments. This thesis presents ten mass values of radionuclides around A=90 interspersed in the predicted rp-process pathway. Six of them have been experimentally determined for the first time. The measurements have been carried out at the Penning-trap mass spectrometer SHIPTRAP using the destructive time-of-flight ion-cyclotron-resonance (TOF-ICR) detection technique. Given the limited performance of the TOF-ICR detection when trying to investigate heavy/superheavy species with small production cross sections ({sigma} <1 {mu}b), a new detection system is found to be necessary. Thus, the second part of this thesis deals with the commissioning of a cryogenic double-Penning trap system for the application of a highly-sensitive, narrow-band Fourier-transform ion-cyclotron-resonance (FT-ICR) detection technique. With the non-destructive FT-ICR detection method a single singly-charged trapped ion will provide the required information to determine its mass. First off-line tests of a new detector system based on a channeltron with an attached conversion dynode, of a cryogenic pumping barrier, to guarantee ultra-high vacuum conditions during mass determination, and of the detection electronics for the required single-ion sensitivity are reported. (orig.)

  14. Optimized data analysis algorithm for on-site chemical identification using a hand-held attenuated total reflection Fourier transform infrared (ATR FT-IR) spectrometer.

    Science.gov (United States)

    Ron, Izhar; Zaltsman, Amalia; Kendler, Shai

    2013-12-01

    On-site identification of organic compounds in the presence of interfering materials using a field-portable attenuated total reflection Fourier transform infrared (ATR FT-IR) spectrometer is presented. Identification is based on an algorithm that compares the analyte's infrared absorption spectrum with the reference spectra. The comparison is performed at several predetermined frequencies, and a similarity value (distance) between the measured and the reference spectra is calculated either at each frequency individually, or, alternatively, the average distance for all frequencies is calculated. The examined frequencies are selected to give the best contrast between the target materials of interest. In this study, the algorithm was optimized to identify three common chemical warfare agents (CWAs): O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioic acid (VX), sarin (GB), and sulfur mustard (bis(2-chloroethyl) sulfide) (HD), in the presence of field-related interfering materials (fuels, water, and dust). Receiver operating characteristics analysis was performed in order to determine the probabilities for detection (PD) and for false alerts (PF). Challenging the algorithm with a set of data that contains mixtures of CWAs and interfering materials resulted in PD of 90% and PF of 0%, 0%, and 1% for VX, GB, and HD, respectively, using the average distance approach, which was found to be much more effective than analyzing each frequency individually. This finding was validated for all possible combinations of 2-7 peaks per material. It is suggested that this algorithm provides a reliable mean for the identification of a predetermined set of target analytes and interfering materials.

  15. The development of pure β-NQR techniques for measurements of nuclear ground state quadrupole moments in lithium isotopes

    Science.gov (United States)

    Voss, A.; Pearson, M. R.; Billowes, J.; Buchinger, F.; Chow, K. H.; Crawford, J. E.; Hossein, M. D.; Kiefl, R. F.; Levy, C. D. P.; MacFarlane, W. A.; Mané, E.; Morris, G. D.; Parolin, T. J.; Saadaoui, H.; Salman, Z.; Smadella, M.; Song, Q.; Wang, D.

    2011-09-01

    A β-NQR spectrometer becomes a powerful tool to study changes in nuclear ground state properties along isotopic chains when coupled to a laser excitation beamline to polarise the nuclei of interest. Recently, the β-NQR technique in a zero magnetic field has been applied for the first-time to measure ratios of static nuclear quadrupole moments of, Li. Preliminary results of the experiment determining the ratios Q9/Q8 and Q11/Q9 show agreement with present literature values with improved precision.

  16. Singularties of the shape of the nonresonance nutation spectra of NQR powders

    Science.gov (United States)

    Sinyavskii, N. Ya.; Shelukhina, S. F.

    1995-06-01

    The singularities of nutation NQR spectra for nuclei with spin J=1, 3/2 in the absence of resonance are considered for powders. It is shown that when determining the asymmetry parameter η from the frequency characteristics of the nutation spectrum one must take into account the frequency shift of the spectrometer relative to exact resonance. Structural studies of single crystals by nutation spectroscopy are demonstrated to be feasible.

  17. Low-Frequency NMR and Nqr with a DC SQUID Amplifier

    Science.gov (United States)

    Fan, Nong-Qiang

    A sensitive Fourier-transform spectrometer based on a dc SQUID (Superconducting QUantum Interference Device) has been developed for the direct detection of nuclear magnetic resonance (NMR) in zero applied magnetic field and pure nuclear quadrupole resonance (NQR) at low frequencies. The motivation to detect zero field NMR and NQR is to provide a new high resolution spectroscopy technique at frequencies below 200 kHz to study ultra-weak interactions in chemicals and materials. By comparing the sensitivity of a SQUID amplifier with that of a conventional semiconductor amplifier, it is shown that a SQUID amplifier is essential for the direct detection of low frequency resonant signals. The spectrometer has a frequency response extending from about 10 to 200 kHz, and a recovery time (after the magnetic pulse is removed) of about 50 mus. The spectrometer is used to detect NMR spectra from Pt and Cu metal powders in a magnetic field of 6 mtesla, and NQR spectra from ^2D in a tunneling methyl group and ^{14}N in rm NH_4ClO_4. Finally, the zero field NMR spectrum from a quantum tunneling methyl group is calculated.

  18. Enhanced Information Recovery in 2D On-and Off-Resonance Nutation NQR using the Maximum Entropy Method

    Science.gov (United States)

    Maćkowiak, Mariusz; Kątowski, Piotr

    1996-06-01

    Two-dimensional zero-field nutation NQR spectroscopy has been used to determine the full quadrupolar tensor of spin - 3/2 nuclei in serveral molecular crystals containing the 3 5 Cl and 7 5 As nuclei. The problems of reconstructing 2D-nutation NQR spectra using conventional methods and the advantages of using implementation of the maximum entropy method (MEM) are analyzed. It is shown that the replacement of conventional Fourier transform by an alternative data processing by MEM in 2D NQR spectroscopy leads to sensitivity improvement, reduction of instrumental artefacts and truncation errors, shortened data acquisition times and suppression of noise, while at the same time increasing the resolution. The effects of off-resonance irradiation in nutation experiments are demonstrated both experimentally and theoretically. It is shown that off-resonance nutation spectroscopy is a useful extension of the conventional on-resonance experiments, thus facilitating the determination of asymmetry parameters in multiple spectrum. The theoretical description of the off-resonance effects in 2D nutation NQR spectroscopy is given, and general exact formulas for the asymmetry parameter are obtained. In off-resonance conditions, the resolution of the nutation NQR spectrum decreases with the spectrometer offset. However, an enhanced resolution can be achieved by using the maximum entropy method in 2D-data reconstruction.

  19. Measurement of temperature and temperature gradient in millimeter samples by chlorine NQR

    Science.gov (United States)

    Lužnik, Janko; Pirnat, Janez; Trontelj, Zvonko

    2009-09-01

    A mini-thermometer based on the 35Cl nuclear quadrupole resonance (NQR) frequency temperature dependence in the chlorates KClO3 and NaClO3 was built and successfully tested by measuring temperature and temperature gradient at 77 K and higher in about 100 mm3 active volume of a mini Joule-Thomson refrigerator. In the design of the tank-circuit coil, an array of small coils connected in series enabled us (a) to achieve a suitable ratio of inductance to capacity in the NQR spectrometer input tank circuit, (b) to use a single crystal of KClO3 or NaClO3 (of 1-2 mm3 size) in one coil as a mini-thermometer with a resolution of 0.03 K and (c) to construct a system for measuring temperature gradients when the spatial coordinates of each chlorate single crystal within an individual coil are known.

  20. Nuclear electric quadrupole moment of 9Li using zero-field β-detected NQR

    Science.gov (United States)

    Voss, A.; Pearson, M. R.; Billowes, J.; Buchinger, F.; Chow, K. H.; Crawford, J. E.; Hossein, M. D.; Kiefl, R. F.; Levy, C. D. P.; MacFarlane, W. A.; Mané, E.; Morris, G. D.; Parolin, T. J.; Saadaoui, H.; Salman, Z.; Smadella, M.; Song, Q.; Wang, D.

    2011-07-01

    A β-detected nuclear quadrupole resonance (NQR) spectrometer becomes a powerful tool to study changes in nuclear ground-state properties along isotopic chains when coupled to a laser excitation beamline to polarize the nuclei of interest. Recently, the β-NQR technique in a zero magnetic field has been applied for the first time to measure the ratio of static nuclear quadrupole moments of 8, 9Li, Q9/Q8 = 0.966 75(9) denoted by Q8 for 8Li and Q9 for 9Li, respectively. This shows agreement with present literature values but with significantly improved precision. Based on the literature, the quadrupole moment for 8Li has been re-evaluated to be |Q8| = 32.6(5) mb. From this, the quadrupole moment for 9Li is calculated as |Q9| = 31.5(5) mb with the error being dominated by the error of Q8.

  1. 14 N NQR spectrum of sildenafil citrate

    Science.gov (United States)

    Stephenson, David; Singh, Nadia

    2015-04-01

    The 14N nuclear quadrupole resonance (NQR) spectrum of sildenafil citrate tablets has been recorded allowing the quadrupole coupling constants and asymmetry parameters of all six unique nitrogen atoms in its structure to be determined. A density function calculation gives results that are largely in agreement with the experimental values.

  2. NMR and NQR studies of quadrupolar effects in glasses and polycrystals with half-integer spins

    Science.gov (United States)

    Orengo-Aviles, Moises

    NMR and NQR techniques have been used in the present study to investigate glasses and polycrystalline compounds containing nuclei with half-integer spins such as: sp{11}B, sp{23}Na, sp{45}Sc, and sp{93}Nb. The low field ({˜}1.2{-}1.5 Tesla) continuous wave (CW) NMR experiments were performed using the Non-Adiabatic Superfast Passage (NASP) or the slow passage methods. A BRUKER MSL 300 pulsed NMR spectrometer was used for the high field (7.1 Tesla) studies. The CW NQR experiments at room and liquid nitrogen temperature were carried out on a home built Robinson-type spectrometer. Using pulsed NMR the sp{45}Sc response from the glass system CaO-Bsb2Osb3-Scsb2Osb3, yielded a first-order quadrupolar interaction with eta=0 and Qsb{cc}≈617 kHz. A new Sc site with Qsb{cc}=23.44 MHz and eta=0 was found in polycrystalline Scsb2Osb3 and it was confirmed by NQR. Employing the NASP method it was found that the fraction of four-coordinated (Nsb4) boron atoms in the alkali thioborate (Nasb2S-Bsb2Ssb3) glass system follows a 3x/(1 - x) relationship for x≤0.15, where x is the molar fraction of Nasb2S in the glass. For the NQR spectra the 10% Nasb2S content glass exhibited a broader NQR resonance than the NQR resonance for pure v-Bsb2Ssb3. The additional width was attributed to responses of BSsb3 units whose Qsb{cc} values differ somewhat from the BSsb3 units in the pure vitreous Bsb2Ssb3. The CW NASP method was used to study the sp{23}Na response in the Nasb2O*2SiOsb2 glass, heat treated in three ways: annealed, slow cooled and splat quenched. Subjecting the glass to rapid cooling will produce an increased range of values for the components of the electric field gradient (EFG), and, hence an increased range of values for Qsb{cc} and eta. This was observed for the slow cooled sample when compared with the annealed glass. The effect should be seen also from the slow cooled to the splat quenched sample, but this was not observed. Crystalline sodium disilicate was examined by both

  3. The continuous wave NQR spectrometer with equidistant frequency scale

    Directory of Open Access Journals (Sweden)

    Samila A. P.

    2010-10-01

    Full Text Available The phase binding frequency of marginal oscillator to frequency synthesizer which includes a phase detector, are used for linearization of the frequency sweep. For spectrum calibration the circuit is designed which forms «scale rule» of the frequency tags with an interval of 10 and 100 kHz.

  4. The continuous wave NQR spectrometer with equidistant frequency scale

    OpenAIRE

    2010-01-01

    The phase binding frequency of marginal oscillator to frequency synthesizer which includes a phase detector, are used for linearization of the frequency sweep. For spectrum calibration the circuit is designed which forms «scale rule» of the frequency tags with an interval of 10 and 100 kHz.

  5. PEANUT experiment in NQR spectroscopy for I=3/2.

    Science.gov (United States)

    Sinyavsky, Nikolay; Dolinenkov, Philip; Maćkowiak, Mariusz

    2012-01-01

    The experiment with phase inversion and phase-inverted echo-amplitude detected nutation (PEANUT) was introduced in the nuclear quadrupole resonance (NQR). Formulas were obtained describing the NQR (I=3/2) experiment. Exemplary experiments are provided confirming the predicted particularities of the PEANUT spectra in NQR Cl-35. It is proposed to apply the method for the purpose of determination the asymmetry parameter of the electric field gradient (EFG) tensor in powders with the help of the analysis of PEANUT interferograms. Application of two-dimensional PEANUT experiments, in which the nutation frequencies correlate with the resonance NQR frequencies, can substantially simplify the interpretation of complex spectra.

  6. Nanoscale NMR and NQR with Nitrogen Vacancy Centers

    Science.gov (United States)

    Urbach, Elana; Lovchinsky, Igor; Sanchez-Yamagishi, Javier; Choi, Soonwon; Bylinskii, Alexei; Dwyer, Bo; Andersen, Trond; Sushkov, Alex; Park, Hongkun; Lukin, Mikhail

    2016-05-01

    Nuclear quadrupole resonance (NQR) is a powerful tool which is used to detect quadrupolar interaction in nuclear spins with I > 1/2. Conventional NQR and NMR technology, however, rely on measuring magnetic fields from a macroscopic number of spins. Extending NMR and NQR techniques to the nanoscale could allow us to learn structural information about interesting materials and biomolecules. We present recent progress on using Nitrogen-Vacancy (NV) centers in diamond to perform room temperature nanoscale NMR and NQR spectroscopy on small numbers of nuclear spins in hexagonal boron nitride.

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

    Science.gov (United States)

    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.

  8. The Na+-translocating NADH:quinone oxidoreductase (Na+-NQR) from Vibrio cholerae enhances insertion of FeS in overproduced NqrF subunit.

    Science.gov (United States)

    Tao, Minli; Fritz, Günter; Steuber, Julia

    2008-01-01

    The Na+-translocating NADH:quinone oxidoreductase (Na+-NQR) from Vibrio cholerae is a membrane-bound, respiratory Na+ pump. Its NqrF subunit contains one FAD and a [2Fe-2S] cluster and catalyzes the initial oxidation of NADH. A soluble variant of NqrF lacking its hydrophobic, N-terminal helix (NqrF') was produced in V. cholerae wild type and nqr deletion strain. Under identical conditions of growth and induction, the yield of NqrF' increased by 30% in the presence of the Na+-NQR. FAD-containing NqrF' species with or without the FeS cluster were observed, indicating that assembly of the FeS center, but not insertion of the flavin cofactor, was limited during overproduction in V. cholerae. A comparison of these distinct NqrF' species with regard to specific NADH dehydrogenase activity, pH dependence of activity and thermal inactivation showed that NqrF' lacking the [2Fe-2S] cluster was less stable, partially unfolded, and therefore prone to proteolytic degradation in V. cholerae. We conclude that the overall yield of NqrF' critically depends on the amount of fully assembled, FeS-containing NqrF' in the V. cholerae host cells. The Na+-NQR is proposed to increase the stability of NqrF' by stimulating the maturation of FeS centers.

  9. NQR frequencies of anhydrous carbamazepine polymorphic phases

    CERN Document Server

    Bonin, C J; Pusiol, D J

    2010-01-01

    In this work we propose the Nuclear Quadrupole Resonance (NQR) technique as an analytical method suitable for polymorphism detection in active parts (or active principles) of pharmaceuticals with high pharmacological risk. Samples of powder carbamazepine (5H-dibenz(b,f)-azepine-5-carboxamide) are studied. In its anhydrous state, this compound presents at least three different polymorphic forms: form III, the commercial one, form II, and form I. Of these, only form III possesses desirable therapeutic effects. By using the NQR technique, it was possible to characterize two of the three polymorphic phases (I and III) for anhydrous carbamazepine in few minutes at room temperature, detecting the characteristic frequencies of 14N nuclei (I=1) present in their chemical composition and in the frequency range 2.820-3.935 MHz. For form II, characteristic lines were not detected within this range of frequencies. The lines detected for form III are centered at the frequencies \

  10. Development of β-NMR and β-NQR

    Institute of Scientific and Technical Information of China (English)

    ZHOU Dong-Mei(周冬梅); M. Mihara; M. Fukuda; K. Matsuta; T. Minamisono; ZHU Sheng-Yun(朱升云); ZHENG Yong-Nan(郑永男); ZHU Jia-Zheng(朱佳政); XU Yong-Jun(徐勇军); DU En-Peng(杜恩鹏); WANG Zhi-Qiang(王志强); Luo Hai-Long(骆海龙); YUAN Da-Qing(袁大庆); RONG Chao-Fan(容超凡)

    2003-01-01

    The β-NMR (nuclear magnetic resonance) and β-NQR (nuclear quadrupole resonance) technique and its experimental set-up have been developed for the first time in China. The lifetime, magnetic moment and spin polarization of 12B were determined. The experimental results show the reliability of this newly developed β-NMR andβ-NQR set-up.

  11. Study on NQR Detection of Targets Buried in Various Soils

    Institute of Scientific and Technical Information of China (English)

    WAN; Yu-qing; TIAN; Hua-yang; HE; Gao-kui; LIU; Hai-feng; JIN; Yu-heng

    2015-01-01

    The explosives detection technology based on nuclear quadrupole resonance(NQR)is by means of detection of specific NQR signal of the14 N nuclei.It detects the explosive itself,rather than the shape,density and other physical characteristics of the explosives,therefore has the

  12. Broadband quantitative NQR for authentication of vitamins and dietary supplements

    Science.gov (United States)

    Chen, Cheng; Zhang, Fengchao; Bhunia, Swarup; Mandal, Soumyajit

    2017-05-01

    We describe hardware, pulse sequences, and algorithms for nuclear quadrupole resonance (NQR) spectroscopy of medicines and dietary supplements. Medicine and food safety is a pressing problem that has drawn more and more attention. NQR is an ideal technique for authenticating these substances because it is a non-invasive method for chemical identification. We have recently developed a broadband NQR front-end that can excite and detect 14N NQR signals over a wide frequency range; its operating frequency can be rapidly set by software, while sensitivity is comparable to conventional narrowband front-ends over the entire range. This front-end improves the accuracy of authentication by enabling multiple-frequency experiments. We have also developed calibration and signal processing techniques to convert measured NQR signal amplitudes into nuclear spin densities, thus enabling its use as a quantitative technique. Experimental results from several samples are used to illustrate the proposed methods.

  13. NQR detection of explosive simulants using RF atomic magnetometers

    Science.gov (United States)

    Monti, Mark C.; Alexson, Dimitri A.; Okamitsu, Jeffrey K.

    2016-05-01

    Nuclear Quadrupole Resonance (NQR) is a highly selective spectroscopic method that can be used to detect and identify a number of chemicals of interest to the defense, national security, and law enforcement community. In the past, there have been several documented attempts to utilize NQR to detect nitrogen bearing explosives using induction sensors to detect the NQR RF signatures. We present here our work on the NQR detection of explosive simulants using optically pumped RF atomic magnetometers. RF atomic magnetometers can provide an order of magnitude (or more) improvement in sensitivity versus induction sensors and can enable mitigation of RF interference, which has classically has been a problem for conventional NQR using induction sensors. We present the theory of operation of optically pumped RF atomic magnetometers along with the result of laboratory work on the detection of explosive simulant material. An outline of ongoing work will also be presented along with a path for a fieldable detection system.

  14. Assignment of Cu NQR frequencies and Cu spin-spin relaxation in YBa 2Cu 3O 7-δ

    Science.gov (United States)

    Mali, M.; Roos, J.; Brinkmann, D.

    1988-06-01

    We have repeated and confirmed our previous assignment of the Cu NQR frequencies to the Cu sites 1 and 2 by measuring the intensities of the NQR signals at 31.5. and 22.05 MHz. The pulse spectrometer has been calibrated by means of the 19F NMR signal at the same frequencies. The lower Cu frequency is assigned to Cul. A point charge calculation of the electric field gradient at the Cu sites is in good agreement with experimental data. The ratio of the spin-lattice relaxation times of both Cu isotopes at either site has been determined. Unusual temperature dependences of the Cu spin-spin relaxation times have been measured.

  15. Pulsed spectrometer for nuclear quadrupole resonance for remote detection of nitrogen in explosives

    Science.gov (United States)

    Anferov, V. P.; Mozjoukhine, G. V.; Fisher, R.

    2000-04-01

    We describe a pulsed spectrometer for detection of nuclear quadrupole resonance on the nuclei of nitrogen N-14 with fast Fourier transform. The use of a multipulse sequence, four channel system for data registration and processing permits detection of the nuclear quadrupole resonance (NQR) signal in the presence of strong interference and the piezo effect. Using this spectrometer we registered the NQR signal from an explosive sample of 150 g (92% RDX) at a distance of 22 cm, and the time of detection was 81 s.

  16. NQR investigation and characterization of cocrystals and crystal polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Seliger, Janez, E-mail: janez.seliger@fmf.uni-lj.si; Zagar, Veselko [Jozef Stefan Institute (Slovenia); Asaji, Tetsuo [Nihon University, Department of Chemistry, College of Humanities and Sciences (Japan)

    2013-05-15

    The application of {sup 14}N NQR to the study of cocrystals and crystal polymorphs is reviewed. In ferroelectric and antiferroelectric organic cocrystals {sup 14}N NQR is used to determine proton position in an N-H...O hydrogen bond and proton displacement below T{sub C}. In cocrystal isonicitinamide - oxalic acid (2:1) {sup 14}N NQR is used to distinguish between two polymorphs and to determine the type of the hydrogen bond (N{sup -}...H-O). The difference in the {sup 14}N NQR spectra of cocrystal formers and cocrystal is investigated in case of carbamazepine, saccharin and carbamazepine - saccharin (1:1). The experimental resolution allows an unambiguous distinction between the {sup 14}N NQR spectrum of the cocrystal and the {sup 14}N NQR spectra of the cocrystal formers. The possibility of application of NQR and double resonance for the determination of the inhomogeneity of the sample and for the study of the life time of an unstable polymorph is discussed.

  17. Determination of the electric field gradient asymmetry from 2D nutation NQR spectra of 75As nuclei in oriented samples of As2Se3 semiconductor.

    Science.gov (United States)

    Korneva, I; Ostafin, M; Sinyavsky, N; Nogaj, B; Maćkowiak, M

    2007-05-01

    The method of two-dimensional nutation nuclear quadrupole resonance in time domain is used to study the chalcogenide semiconductor As(2)Se(3). In this system, the nuclear quadrupole resonance (NQR) resonance line width is as large as 10 MHz; therefore, the radiofrequency field produced by a pulsed NQR spectrometer can excite only a portion of the nuclear spins. The proposed method relies on polarizing the melted glass specimen in a strong magnetic field so that orientational disorder is partially removed. After hardening the sample is placed in a spectrometer r.f. coil in such a way that that the axes of sample polarization and r.f. coil coincide. We demonstrate the application of this method to determine eta in glassy As(2)Se(3).

  18. 14N NQR study of nicotinamide and related compounds.

    Science.gov (United States)

    Seliger, J; Zagar, V

    2008-01-01

    14N nuclear quadrupole resonance (NQR) frequencies have been measured in picolinamide, nicotinamide, isonicotinamide, 2,6-pyridine dicarboxamide, and acetamide by double resonance. The 14N NQR spectra in picolinamide, nicotinamide, isonicotinamide, and 2,6-pyridine dicarboxamide show the presence of two distinct nitrogen positions: the ring position with the quadrupole coupling constant about 4,5 MHz and the amide position with the quadrupole coupling constant about 2.6 MHz. The NQR data are related to the structure of the investigated compounds and to the N--H...O hydrogen bonds.

  19. {sup 14}N NQR in the tetrazole family

    Energy Technology Data Exchange (ETDEWEB)

    Pirnat, Janez, E-mail: janez.pirnat@fmf.uni-lj.si [Institute of Mathematics, Physics and Mechanics, Ljubljana (Slovenia); Luznik, Janko; Jazbinsek, Vojko [Institute of Mathematics, Physics and Mechanics, Ljubljana (Slovenia); Zagar, Veselko; Seliger, Janez [Jozef Stefan Institute, Ljubljana (Slovenia); Klapoetke, Thomas M. [Department of Chemistry, Ludwig-Maximilians University, Munich (Germany); Trontelj, Zvonko [Institute of Mathematics, Physics and Mechanics, Ljubljana (Slovenia)

    2009-10-16

    {sup 14}N NQR frequencies and spin-lattice relaxation times were measured in technologically important 5-aminotetrazole and 5-aminotetrazole monohydrate at different temperatures between 77 K and 300 K. Five NQR triplets {nu}{sub +}, {nu}{sub -} and {nu}{sub 0} were found for the five inequivalent nitrogen atoms in each compound between 0.7 MHz and 4 MHz. Carr-Purcell based multipulse sequences were used to accumulate quadrupole echo signals before the FFT analysis. Assignment of the frequencies to atomic positions was made and the results are analysed in relation to the molecular chemical bonds and possible H-bonds in the crystal structures. The new NQR frequencies are reasonably related to the previously published NQR spectrum of the third family member, 1H-tetrazole.

  20. NQR Characteristics of an RDX Plastic Explosives Simulant.

    Science.gov (United States)

    Turecek, J; Schwitter, B; Miljak, D; Stancl, M

    2012-12-01

    For reliable detection of explosives, a combination of methods integrated within a single measurement platform may increase detection performance. However, the efficient field testing of such measurement platforms requires the use of inexplosive simulants that are detectable by a wide range of methods. Physical parameters such as simulant density, elemental composition and crystalline structure must closely match those of the target explosive. The highly discriminating bulk detection characteristics of nuclear quadrupole resonance (NQR) especially constrain simulant design. This paper describes the development of an inexplosive RDX simulant suited to a wide range of measurement methods, including NQR. Measurements are presented that confirm an RDX NQR response from the simulant. The potential use of the simulant for field testing a prototype handheld NQR-based RDX detector is analyzed. Only modest changes in prototype operation during field testing would be required to account for the use of simulant rather than real explosive.

  1. Measurement of temperature and temperature gradient in millimeter samples by chlorine NQR

    Energy Technology Data Exchange (ETDEWEB)

    Luznik, Janko; Pirnat, Janez; Trontelj, Zvonko [Institute of Mathematics, Physics and Mechanics, Ljubljana (Slovenia)

    2009-09-15

    A mini-thermometer based on the {sup 35}Cl nuclear quadrupole resonance (NQR) frequency temperature dependence in the chlorates KClO{sub 3} and NaClO{sub 3} was built and successfully tested by measuring temperature and temperature gradient at 77 K and higher in about 100 mm{sup 3} active volume of a mini Joule-Thomson refrigerator. In the design of the tank-circuit coil, an array of small coils connected in series enabled us (a) to achieve a suitable ratio of inductance to capacity in the NQR spectrometer input tank circuit, (b) to use a single crystal of KClO{sub 3} or NaClO{sub 3} (of 1-2 mm{sup 3} size) in one coil as a mini-thermometer with a resolution of 0.03 K and (c) to construct a system for measuring temperature gradients when the spatial coordinates of each chlorate single crystal within an individual coil are known. (orig.)

  2. Radio-frequency tunable atomic magnetometer for detection of solid-state NQR

    Science.gov (United States)

    Lee, S.-K.; Sauer, K. L.; Seltzer, S. J.; Alem, O.; Romalis, M. V.

    2007-06-01

    We constructed a potassium atomic magnetometer which resonantly detects rf magnetic fields with subfemtotesla sensitivity. The resonance frequency is set by the Zeeman resonance of the potassium atoms in a static magnetic field applied to the magnetometer cell. Strong optical pumping of the potassium atoms into a stretched state reduces spin-exchange broadening of the Zeeman resonance, resulting in relatively small linewidth of about 200 Hz (half-width at half-maximum). The magnetometer was used to detect ^14N NQR signal from powdered ammonium nitrate at 423 kHz, with sensitivity an order of magnitude higher than with a conventional room temperature pickup coil with comparable geometry. The demonstrated sensitivity of 0.24 fT/Hz^1/2 can be improved by several means, including use of higher power lasers for pumping and probing. Our technique can potentially be used to develop a mobile, open-access NQR spectrometer for detection of nitrogen-containing solids of interest in security applications.

  3. 81Br NQR for Uncoordinated Br ions in trans-[CoBr2(en)2][H5O2]Br2 and trans-[CoBr2(en)2] [D5O2]Br2

    Science.gov (United States)

    Honda, H.; Sasane, A.; Miyagi, K.; Ishikawa, A.; Mori, Y.

    1994-02-01

    The temperature dependence of the 81Br NQR frequencies (vD) for uncoordinated Br- ions in trans-[CoBr2(en)2] [D5O2]Br2(D) has been determined by a continuous-wave spectrometer. vD amounted to 16.200 MHz at 273 K. This is lower by 418 kHz than the 81Br NQR frequency (vH) for trans-[CoBr2 (en2] [H5O2 ]Br2 (H). The frequency difference (Δv = vH -vD) remained almost constant in the temperature range studied. A shortening of the O-H bond length caused by deuteration could explain the magnitude and the sign of Av on the basis of a point charge model calculation. The compounds D and H yielded 81Br NQR lines in the range 110-320 K and 90-343 K, respectively. As to the 59Co NQR frequencies (7/2 - 5/2), the observed isotope frequency shifts (Δv1 = v1H - v1D) between D and H were smaller than 5 kHz. Below 160 K, 59Co resonances were only available by pulsed experiments. 59Co NQR spin-lattice relaxation times T1Q of 0.54 ms at 194 K and 4.8 s at 77 K for H have been observed.

  4. Numerical simulation of NQR/NMR: Applications in quantum computing.

    Science.gov (United States)

    Possa, Denimar; Gaudio, Anderson C; Freitas, Jair C C

    2011-04-01

    A numerical simulation program able to simulate nuclear quadrupole resonance (NQR) as well as nuclear magnetic resonance (NMR) experiments is presented, written using the Mathematica package, aiming especially applications in quantum computing. The program makes use of the interaction picture to compute the effect of the relevant nuclear spin interactions, without any assumption about the relative size of each interaction. This makes the program flexible and versatile, being useful in a wide range of experimental situations, going from NQR (at zero or under small applied magnetic field) to high-field NMR experiments. Some conditions specifically required for quantum computing applications are implemented in the program, such as the possibility of use of elliptically polarized radiofrequency and the inclusion of first- and second-order terms in the average Hamiltonian expansion. A number of examples dealing with simple NQR and quadrupole-perturbed NMR experiments are presented, along with the proposal of experiments to create quantum pseudopure states and logic gates using NQR. The program and the various application examples are freely available through the link http://www.profanderson.net/files/nmr_nqr.php.

  5. NQR study of chalcogenide glasses Ge-As-Se.

    Science.gov (United States)

    Glotova, Olga; Korneva, Irina; Sinyavsky, Nikolay; Ostafin, Michal; Nogaj, Boleslaw

    2011-07-01

    A three-component Ge-As-Se system is studied by the nuclear quadrupole resonance (NQR) method on (75)As nuclei and by the nutation NQR spectroscopy. The NQR (75)As spectra of the glasses Ge(0.021) As(0.375) Se(0.604), Ge(0.043) As(0.348) Se(0.609) and Ge(0.068) As(0.318) Se(0.614) reveal broad lines with two peaks assigned to the main structural unit of As(2)Se(3). With increasing average coordination number ( ̅r), the spectrum signals are shifted towards higher frequencies. At ̅r > 2.54, the spectrum becomes complex, which is a consequence of formation of more complex molecular structures in the glasses of high content of germanium. At fixed frequencies the asymmetry parameter η of the samples studied is determined.

  6. Two-dimensional NQR using ultra-broadband electronics

    Science.gov (United States)

    Mandal, S.; Song, Y.-Q.

    2014-03-01

    We have recently developed an ultra-broadband instrument that can effectively excite and detect NMR and NQR signals over a wide frequency range. Our current system operates between 100 kHz and 3.2 MHz using an un-tuned sample coil. The major benefits of this instrument compared to conventional NQR/NMR systems include increased robustness, ease of use (in particular for multi-frequency experiments), and elimination of the need for tuning adjustments in the hardware. Here we describe its use for performing two-dimensional (2D) scans, which allow improved interpretation of complex NQR spectra by detecting the connected resonances. Our method relies on population transfers between the three energy levels of spin-1 nuclei (such as 14N) by using multi-frequency excitation and a single RF coil. Experimental results on pure samples and mixtures are also presented.

  7. Rapid detection of arsenic minerals using portable broadband NQR

    Science.gov (United States)

    Lehmann-Horn, J. A.; Miljak, D. G.; O'Dell, L. A.; Yong, R.; Bastow, T. J.

    2014-10-01

    The remote real-time detection of specific arsenic species would significantly benefit in minerals processing to mitigate the release of arsenic into aquatic environments and aid in selective mining. At present, there are no technologies available to detect arsenic minerals in bulk volumes outside of laboratories. Here we report on the first room-temperature broadband 75As nuclear quadrupole resonance (NQR) detection of common and abundant arsenic ores in the Earth crust using a large sample (0.78 L) volume prototype sensor. Broadband excitation aids in detection of natural minerals with low crystallinity. We briefly discuss how the proposed NQR detector could be employed in mining operations.

  8. (75)As NQR studies on FeAs2.

    Science.gov (United States)

    Lehmann-Horn, J A; Yong, R; Miljak, D G; Bastow, T J

    2015-10-01

    (75)As NQR spectra and relaxation times of synthetic and natural FeAs2 samples have been studied at variable static magnetic field and temperature. FeAs2 is a well understood diamagnetic semiconductor and occurs as the natural mineral lollingite in selected ore deposits. We observed a spin-spin relaxation time enhancement of up to five in synthetic powders in the presence of a weak external static magnetic field. The effect is of interest with regard to signal-to-noise ratio improvement for materials characterization applications where broad NQR absorption lines are excited with wideband pulse sequences.

  9. Recording 2-D Nutation NQR Spectra by Random Sampling Method.

    Science.gov (United States)

    Glotova, Olga; Sinyavsky, Nikolaj; Jadzyn, Maciej; Ostafin, Michal; Nogaj, Boleslaw

    2010-10-01

    The method of random sampling was introduced for the first time in the nutation nuclear quadrupole resonance (NQR) spectroscopy where the nutation spectra show characteristic singularities in the form of shoulders. The analytic formulae for complex two-dimensional (2-D) nutation NQR spectra (I = 3/2) were obtained and the condition for resolving the spectral singularities for small values of an asymmetry parameter η was determined. Our results show that the method of random sampling of a nutation interferogram allows significant reduction of time required to perform a 2-D nutation experiment and does not worsen the spectral resolution.

  10. {sup 35}Cl NQR in glassy crystal, 3-chlorothiophene

    Energy Technology Data Exchange (ETDEWEB)

    Fujimori, H., E-mail: fujimori@chs.nihon-u.ac.jp; Kaneko, T.; Asaji, T. [Nihon University, Department of Chemistry, College of Humanities and Sciences (Japan)

    2008-01-15

    {sup 35}Cl NQR measurements were carried out between 77 and 209 K for 3-chlorothiophene, which has a glass transition in a stable crystalline state. An NQR signal with full widths of about 100 kHz at half maximum was observed in this temperature range. The spin-lattice relaxation time T{sub 1} was measured at the peak frequencies. The activation energy {Delta}{epsilon}{sub a} obtained from the results of the T{sub 1} measurements showed a good agreement with those estimated from calorimetric measurements.

  11. Single crystal zeeman effect studies on 35Cl NQR lines of 2,6-dichlorophenol

    Science.gov (United States)

    Prasad, N. V. L. N.; Venkatacharyulu, P.; Premaswarup, D.

    1987-10-01

    Zeeman effect studies on the two 35Cl NQR lines in cylindrical single crystals of 2,6-dichlorophenol were carried out using a self-quenched super-regenerative NQR spectrometer to obtain information on the nature of the crystalline unit cell and the effect of hydrogen bonding on the electric field gradient tensor. Analysis of the experimental data reveals: (1) the results are in good agreement with those reported from X-ray studies; (2) the crystal is unequivocally identified as belonging to the orthorhombic system; (3) there are two crystallographically equivalent and four physically nonequivalent directions for the principal field gradients for both the low and high frequency resonance lines; (4) the directions of the crystalline a, b, c axes are uniquely identified as (90°, 0°), (0°, -), and (90°, 90°); (5) the b-axis is identified as the growth axis; (6) there are a minimum of four molecules per unit cell, the four molecules lie in different planes, which are, however, connected by symmetry operations; (7)_there exists a weak intramolecular hydrogen bonding in the crystal; (8) the asymmetry parameters for the loci corresponding to the low frequency resonance line, which is affected by hydrogen bonding, are less than the asymmetry parameters of the loci corresponding to the high frequency resonance line, which is not affected by hydrogen bonding; (9) the single bond and ionic bond characters for the hish frequency line are less than that of the low frequency line, while the double bond character for the low frequency line is less than that of the high frequency line and (10) the small deviation between the single bond and double bond characters of the two resonance lines is attributed to the existence of weak hydrogen bonding in the crystal.

  12. Pulse Sequence Shaper For Radiospectroscopy And Relaxation Methods In NQR

    Directory of Open Access Journals (Sweden)

    Bobalo Yuriy

    2015-09-01

    Full Text Available A pulse sequence shaper for the pursuance of the research using a wide spectrum of radiospectroscopy and relaxation methods in NQR is proposed. The distinctive feature of this product is its implementation with the application of a multi-functional programmable frequency synthesizer suitable for high-speed amplitude and phase manipulations.

  13. {sup 14}N NQR spectrum of sildenafil citrate

    Energy Technology Data Exchange (ETDEWEB)

    Stephenson, David, E-mail: david.stephenson@sta.uwi.edu; Singh, Nadia [University of the West Indies, Chemistry Department (Trinidad and Tobago)

    2015-04-15

    The {sup 14}N nuclear quadrupole resonance (NQR) spectrum of sildenafil citrate tablets has been recorded allowing the quadrupole coupling constants and asymmetry parameters of all six unique nitrogen atoms in its structure to be determined. A density function calculation gives results that are largely in agreement with the experimental values.

  14. Low-frequency nuclear magnetic resonance and nuclear quadrupole resonance spectrometer based on a dc superconducting quantum interference device

    Science.gov (United States)

    Fan, N. Q.; Clarke, John

    1991-06-01

    A sensitive spectrometer, based on a dc superconducting quantum interference device, for the direct detection of low-frequency pulsed nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR), is described. The frequency response extends from about 10 to 200 kHz, and the recovery time after the magnetic pulse is removed is typically 50 μs. As examples, NMR spectra are shown from Pt and Cu metal powders in a magnetic field of 6 mT, and NQR spectra are shown from 2D in a tunneling methyl group and 14N in NH4ClO4.

  15. The single NqrB and NqrC subunits in the Na(+)-translocating NADH: quinone oxidoreductase (Na(+)-NQR) from Vibrio cholerae each carry one covalently attached FMN.

    Science.gov (United States)

    Casutt, Marco S; Schlosser, Andreas; Buckel, Wolfgang; Steuber, Julia

    2012-10-01

    The Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) is the prototype of a novel class of flavoproteins carrying a riboflavin phosphate bound to serine or threonine by a phosphodiester bond to the ribityl side chain. This membrane-bound, respiratory complex also contains one non-covalently bound FAD, one non-covalently bound riboflavin, ubiquinone-8 and a [2Fe-2S] cluster. Here, we report the quantitative analysis of the full set of flavin cofactors in the Na(+)-NQR and characterize the mode of linkage of the riboflavin phosphate to the membrane-bound NqrB and NqrC subunits. Release of the flavin by β-elimination and analysis of the cofactor demonstrates that the phosphate group is attached at the 5'-position of the ribityl as in authentic FMN and that the Na(+)-NQR contains approximately 1.7mol covalently bound FMN per mol non-covalently bound FAD. Therefore, each of the single NqrB and NqrC subunits in the Na(+)-NQR carries a single FMN. Elimination of the phosphodiester bond yields a dehydro-2-aminobutyrate residue, which is modified with β-mercaptoethanol by Michael addition. Proteolytic digestion followed by mass determination of peptide fragments reveals exclusive modification of threonine residues, which carry FMN in the native enzyme. The described reactions allow quantification and localization of the covalently attached FMNs in the Na(+)-NQR and in related proteins belonging to the Rhodobacter nitrogen fixation (RNF) family of enzymes. This article is part of a Special Issue entitled: 17th European Bioenergetics Conference (EBEC 2012).

  16. Monolithic spectrometer

    Science.gov (United States)

    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.

  17. 14N NQR and relaxation in ammonium nitrate

    Science.gov (United States)

    Stephenson, David

    2015-04-01

    The complete 14N nuclear quadrupole resonance (NQR) spectrum of ammonium nitrate is presented recorded using two double resonance techniques - double contact cross relaxation and zero field NQR. The spectra gave the quadrupole coupling constant (Qcc) and asymmetry parameter ( η) values for the nitro of 611 kHz, 0.229 and that for the ammonium nitrogen of 242 kHz, 0.835. The three relaxation transition probabilities have been determined for both the nitro and ammonium nitrogen atoms. The bi-exponential relaxation times (T 1) were measured at 295 K. The values for nitro are 16.9 s and 10.5 s and that of the ammonium are 23.0 s and 16.4 s.

  18. {sup 14}N NQR and relaxation in ammonium nitrate

    Energy Technology Data Exchange (ETDEWEB)

    Stephenson, David, E-mail: david.stephenson@sta.uwi.edu [University of the West Indies, Chemistry Department (Trinidad and Tobago)

    2015-04-15

    The complete {sup 14}N nuclear quadrupole resonance (NQR) spectrum of ammonium nitrate is presented recorded using two double resonance techniques – double contact cross relaxation and zero field NQR. The spectra gave the quadrupole coupling constant (Qcc) and asymmetry parameter (η) values for the nitro of 611 kHz, 0.229 and that for the ammonium nitrogen of 242 kHz, 0.835. The three relaxation transition probabilities have been determined for both the nitro and ammonium nitrogen atoms. The bi-exponential relaxation times (T {sub 1}) were measured at 295 K. The values for nitro are 16.9 s and 10.5 s and that of the ammonium are 23.0 s and 16.4 s.

  19. Comparative experimental analysis of composite pulses in 14N NQR.

    Science.gov (United States)

    Mikhaltsevitch, V T; Rudakov, T N; Flexman, J H; Hayes, P A; Chisholm, W P

    2004-01-01

    Experimental results of comparing composite pulses in nitrogen-14 NQR, that are analogous to common 90 degrees RF pulses in powder, are presented. All tested pulses have been taken from publications in journals. Comparative diagrams of the measurement results for induction signals and echo signals are presented. The results of the measurements demonstrate that the best outcomes are achieved when the composite pulse (45)0(95)180(164)0 is used.

  20. NQR Spin Diffusion in an Inhomogeneous Internal Field

    Energy Technology Data Exchange (ETDEWEB)

    Furman, Gregory B., E-mail: gregoryf@bgu.ac.il; Goren, Shaul D. [Ben Gurion University, Physics Department (Israel)

    2004-12-15

    The theory of NQR spin diffusion is extended to the case of spin lattice relaxation and spin diffusion in an inhomogeneous field. Two coupled equations describing the mutual relaxation and the spin diffusion of the nuclear magnetization and dipolar energy were obtained by using the method of nonequilibrium state operator. The equations were solved for short and long times approximation corresponding to the direct and diffusion relaxation regimes.

  1. NMR and NQR study of the thermodynamically stable quasicrystals

    Energy Technology Data Exchange (ETDEWEB)

    Shastri, Ananda [Iowa State Univ., Ames, IA (United States)

    1995-02-10

    27Al and 61,65Cu NMR measurements are reported for powder samples of stable AlCuFe and AlCuRu icosahedral quasicrystals and their crystalline approximants, and for a AlPdMn single grain quasicrystal. Furthermore, 27Al NQR spectra at 4.2 K have been observed in the AlCuFe and AlCuRu samples. From the quadrupole perturbed NMR spectra at different magnetic fields, and from the zero field NQR spectra, a wide distribution of local electric field gradient (EFG) tensor components and principal axis system orientations was found at the Al site. A model EFG calculation based on a 1/1 AlCuFe approximant was successful in explaining the observed NQR spectra. It is concluded that the average local gradient is largely determined by the p-electron wave function at the Al site, while the width of the distribution is due to the lattice contribution to the EFG. Comparison of 63Cu NMR with 27Al NMR shows that the EFG distribution at the two sites is similar, but that the electronic contribution to the EFG is considerably smaller at the Cu site, in agreement with a more s-type wave function of the conduction electrons.

  2. Calculations of multipulse sequence in NQR of spins 32.

    Science.gov (United States)

    Odin, C

    1999-12-01

    The general formalism of the interaction representation with respect to an operator which is its own inverse is developed and applied to pure NQR of spins I = 32. Under the assumption of no relaxation and no dipolar coupling, it is shown that the calculation of the response to pure NQR multipulse sequences can be performed with the same concepts used in high field NMR, such as coherence pathways. All the tools and mathematical expressions to predict the time evolution of the signal created by a pure NQR multipulse sequence are presented explicitly. It takes into account the off-resonance irradiation as well as the angular dependence of the excitation and detection for every value of the electric field gradient asymmetry parameter. Particular attention is devoted to the powder average, which is performed via a probability function derived analytically for the first time, leading to a drastic reduction of simulation times. The theory is illustrated by the study of the optimization and excitation bandwidths of one- to three-pulse sequences and compared to experimental results on Chloranil. We show that the three-pulse "stimulated echo" sequence gives a more uniform excitation profile than the traditional two-pulse echo sequence for powder samples. Thus, the "stimulated echo" sequence could be useful to cover a large spectrum when the experiment duration, or the signal to noise ratio, are not critical parameters. Analytical expressions for the nutation spectra obtained by one or two-pulse sequences are also derived for the first time.

  3. Correlation spectrometer

    Science.gov (United States)

    Sinclair, Michael B.; Pfeifer, Kent B.; Flemming, Jeb H.; Jones, Gary D.; Tigges, Chris P.

    2010-04-13

    A correlation spectrometer can detect a large number of gaseous compounds, or chemical species, with a species-specific mask wheel. In this mode, the spectrometer is optimized for the direct measurement of individual target compounds. Additionally, the spectrometer can measure the transmission spectrum from a given sample of gas. In this mode, infrared light is passed through a gas sample and the infrared transmission signature of the gasses present is recorded and measured using Hadamard encoding techniques. The spectrometer can detect the transmission or emission spectra in any system where multiple species are present in a generally known volume.

  4. Magnetic resonance spectrometer with a dc SQUID detector

    Science.gov (United States)

    Connor, C.; Chang, J.; Pines, A.

    1990-03-01

    We describe a dc superconducting quantum interference device (SQUID) based magnetic resonance spectrometer particularly suited to measurements in the frequency range of 100 kHz to several megahertz. Results are presented for nuclear quadrupole resonance (NQR) of boron-11 in boron nitride at 4.2 K, yielding ωQ =1467±2 kHz. We also present a direct measurement of the methyl group tunneling frequency, ωt =210±10 kHz, of propionic acid in low field, at 4.2 K.

  5. Multidimensional spectrometer

    Science.gov (United States)

    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.

  6. NMR and Nqr Study of Atomic Order in Alkali Borate Glasses.

    Science.gov (United States)

    Gravina, Samuel John

    A modified Robinson oscillator circuit was built for the detection of nuclear quadrupole resonance (NQR) in the 200 to 10,000 kHz region. The circuit demonstrates near ideal performance with the detected noise limited only by the sample temperature. The use of computer controlled data acquisition and a carefully designed sample probe allows for the use of an integrating time constant of up to 6 hours. This spectrometer has been used to detect ^{10}B and ^{11 }B NQR in lithium and sodium borate glasses and crystals. In pure boron oxide glass two distinct boron sites are found. By comparing this experiment with previous NMR and Raman spectroscopy studies, one of the sites, which comprises 85% of the total boron, can be attributed to boron atoms in boroxol rings. As sodium is added to the glass the abundance of boroxol rings decreases. At 20 mol% sodium oxide less than 2% of the boron atoms are found in boroxol rings. The dipole-dipole interaction between lithium cations and four-coordinated boron atoms (B_4 units) has been measured. It is found that every B_4 unit has one lithium cation next to it at an average distance of 2.82 A. A comparison with lithium borate crystals shows that diborate groups do not occur in significant quantities. Both high field and low field NMR studies of the boron quadrupole interaction in a B_4 unit also show that diborate groups are not found in the glass. A ^{23}Na and ^6Li NMR MASS study of lithium and sodium borate glasses shows that ^{23 }Na chemical shifts can distinguish sodium cations bound to non-bridging oxygens from sodium cations bound to bridging oxygens. The chemical shifts measured in lithium-sodium borate glasses are identical to those measured in lithium borate or sodium borate glasses, indicating similar alkali-oxygen coordination. A significant narrowing of the ^6Li NMR spectrum in a mixed alkali glass can be understood as a decrease in the entropy of the lithium cations. This result is consistent with the weak

  7. A Fourier transform Raman spectrometer with visible laser excitation

    CERN Document Server

    Dzsaber, S; Bernáth, B; Gyüre, B; Fehér, T; Kramberger, C; Pichler, T; Simon, F

    2014-01-01

    We present the development and performance of a Fourier transformation (FT) based Raman spectrometer working with visible laser (532 nm) excitation. It is generally thought that FT-Raman spectrometers are not viable in the visible range where shot-noise limits the detector performance and therein they are outperformed by grating based, dispersive ones. We show that contrary to this common belief, the recent advances of high-performance interference filters makes the FT-Raman design a valid alternative to dispersive Raman spectrometers for samples which do not luminesce. We critically compare the performance of our spectrometer to two dispersive ones: a home-built single channel and a state-of-the-art CCD based instruments. We demonstrate a similar or even better sensitivity than the CCD based dispersive spectrometer particularly when the laser power density is considered. The instrument possesses all the known advantages of the FT principle of spectral accuracy, high throughput, and economic design. We also d...

  8. Downregulation of Na(+)-NQR complex is essential for Vibrio alginolyticus in resistance to balofloxacin.

    Science.gov (United States)

    Li, Peipei; Liu, Xianjie; Li, Hui; Peng, Xuan-Xian

    2012-05-17

    Increasingly isolated frequency of antibiotic-resistant V. alginolyticus strains in clinic and aquaculture has been reported, but the mechanisms of V. alginolyticus antibiotic resistance are largely absent. In the present study, native/SDS-PAGE based proteomics, which may provide information on protein-protein interaction, was utilized to investigate differential proteins of V. alginolyticus in resistance to balofloxacin. Ten proteins were altered, in which V12G01_04671, V12G01_00457, V12G01_15927, V12G01_15240, NqrA (spot 26), and NqrF (spot 30) were downregulated, while V12G01_22043, TolC, V12G01_15130, V12G01_19297 were upregulated. Importantly, the two components of Na(+)-NQR complex, NqrA and NqrF, were vertically lined and was further investigated. Western blotting assay indicated that downregulation of the two proteins contrasted sharply with upregulation of a control protein TolC, which was consistent with the result obtained from 2-DE gel analysis. Furthermore, overexpression of NqrA, NqrF and TolC resulted in decrease and elevation of bacterial survival ability in medium with balofloxacin, respectively. These results indicate that downregulation of Na(+)-NQR complex is essential for V. alginolyticus resistance to balofloxacin. This is the first report on the role of Na(+)-NQR complex in antibiotic resistance. This finding highlights the way to an understanding of antibiotic-resistant mechanisms in content of metabolic regulation.

  9. An NQR study of the polymorphism of triphenylchloromethane.

    Science.gov (United States)

    Brunetti, A H

    2004-01-01

    This work is a study of the polymorphic transformations of triphenylchloromethane (TPCM) as well as the structure and dynamics of this molecular solid. Crystalline TPCM has been studied by a variety of techniques and many of its physical properties have been characterized. Previous crystallographic studies have reported the existence of two crystalline phases. Phase II, stable above 372 K, is trigonal with space group P3; and Z = 6. The compound associates pairwise (halogen-to-halogen and triphenylmethyl-to-triphenylmethyl) and linearly with all carbon-halogen bonds aligned with C3 and S6 axes of the lattice. Below 372 K, a triclinic modification (phase III) is found (P1;, Z = 10) where the molecules are also aligned pairwise with close Cl cdots, three dots, centered Cl interactions. However, the C-Cl bonds were no longer parallel. On the other hand, DTA studies have also reported a phase transition at 381 K (to phase I) that can been obtained from slow evaporation of pentane or ether solutions. Crystallographic information about these phases has not been obtained in the literature. Five NQR lines have been observed from liquid nitrogen temperature to 372 K in good agreement with phase III that has Z = 10. Above 372 K, three lines are observed which are related to phase II. Any effort to observe phase I through NQR failed; phase II remains until the sample is melted. Instead, if phase II is cooled down, a second-order phase transition to a new phase at 259 K is observed through NQR studies. The temperature dependence of experimental data in the phase transition region is well explained assuming the transitions occur when molecules in the crystal lattice change their direction uniformly with a change in temperature and the liberational modes, coupled in an anharmonic way with the uniform mode, change their frequencies in such a way that entropy compensates the unfavorable potential energy increase due to the uniform angular tilt.

  10. Cu NQR study of the stripe phase local structure in the lanthanum cuprates

    Science.gov (United States)

    Teitel'baum; Buchner; de Gronckel H

    2000-03-27

    Using Cu nuclear quadrupole resonance (NQR) in Eu-doped La2-xSrxCuO4 we find the evidence of the pinned stripe phase at 1.3 K for 0. 08NQR line shape reveals three inequivalent Cu positions: (i) sites in the charged stripe, (ii) nonmagnetic sites outside the stripes, and (iii) sites with a magnetic moment of 0.29&mgr;(B) in the antiferromagnetically correlated regions. A dramatic change of the NQR signal for x>0.18 correlating with the onset of bulk superconductivity corresponds to the depinning of the stripe phase.

  11. Structural and dynamic characterization of solid furosemide polymorphs by NQR and NMR methods

    Science.gov (United States)

    Wolfenson, A.; Pérez, S. C.; Zuriaga, Mariano J.; Garnero, Claudia; Miranda, J. Abraham; Longhi, Marcela; Faudone, S. N.

    2015-11-01

    The temperature dependence of NQR parameters and proton spin-lattice relaxation times of furosemide in forms 1 and 2 are reported. The NQR line shape shows that form 2 is disordered, even at low temperatures and reorientation of the SO2NH2 group between conformers has been detected above 120 K. Through T1H measurements a transition of form 2 to the high temperature phase of furosemide is observed around 405 K. The high temperature phase is characterized by one NQR line indicating Z‧ = 1 in this phase. Proton transfer and NH2 jumps in form 1 are also observed through T1Q measurements.

  12. (14)N NQR, relaxation and molecular dynamics of the explosive TNT.

    Science.gov (United States)

    Smith, John A S; Rowe, Michael D; Althoefer, Kaspar; Peirson, Neil F; Barras, Jamie

    2015-10-01

    Multiple pulse sequences are widely used for signal enhancement in NQR detection applications. Since the various (14)N NQR relaxation times, signal decay times and frequency of each NQR line have a major influence on detection sequence performance, it is important to characterise these parameters and their temperature variation, as fully as possible. In this paper we discuss such measurements for a number of the ν+ and ν- NQR lines of monoclinic and orthorhombic TNT and relate the temperature variation results to molecular dynamics. The temperature variation of the (14)N spin-lattice relaxation times T1 is interpreted as due to hindered rotation of the NO2 group about the C-NO2 bond with an activation energy of 89 kJ mol(-1) for the ortho and para groups of monoclinic TNT and 70 kJ mol(-1) for the para group of orthorhombic TNT.

  13. A versatile computer-controlled pulsed nuclear quadrupole resonance spectrometer

    Science.gov (United States)

    Fisher, Gregory; MacNamara, Ernesto; Santini, Robert E.; Raftery, Daniel

    1999-12-01

    A new, pulsed nuclear quadrupole resonance (NQR) spectrometer capable of performing a variety of pulsed and swept experiments is described. The spectrometer features phase locked, superheterodyne detection using a commercial spectrum analyzer and a fully automatic, computer-controlled tuning and matching network. The tuning and matching network employs stepper motors which turn high power air gap capacitors in a "moving grid" optimization strategy to minimize the reflected power from a directional coupler. In the duplexer circuit, digitally controlled relays are used to switch different lengths of coax cable appropriate for the different radio frequencies. A home-built pulse programmer card controls the timing of radio frequency pulses sent to the probe, while data acquisition and control software is written in Microsoft Quick Basic. Spin-echo acquisition experiments are typically used to acquire the data, although a variety of pulse sequences can be employed. Scan times range from one to several hours depending upon the step resolution and the spectral range required for each experiment. Pure NQR spectra of NaNO2 and 3-aminopyridine are discussed.

  14. Increasing 14N NQR signal by 1H-14N level crossing with small magnetic fields.

    Science.gov (United States)

    Thurber, Kent R; Sauer, Karen L; Buess, Michael L; Klug, Christopher A; Miller, Joel B

    2005-11-01

    NQR detection of materials, such as TNT, is hindered by the low signal-to-noise ratio at low NQR frequencies. Sweeping small (0-26 mT) magnetic fields to shift the (1)H NMR frequency relative to the (14)N NQR frequencies can provide a significant increase of the (14)N NQR signal-to-noise ratio. Three effects of (1)H-(14)N level crossing are demonstrated in diglycine hydrochloride and TNT. These effects are (1) transferring (1)H polarization to one or more of the (14)N transitions, including the use of an adiabatic flip of the (1)H polarization during the field sweep, (2) shortening the effective (14)N T(1) by the interaction of (1)H with the (14)N transitions, (3) "level transfer" effect where the third (14)N (spin 1) energy level or other (14)N sites with different NQR frequency are used as a reservoir of polarization which is transferred to the measured (14)N transition by the (1)H. The (14)N NQR signal-to-noise ratio can be increased by a factor of 2.5 for one (14)N site in diglycine hydrochloride (and 2.2 in TNT), even though the maximum (1)H frequency used in this work, 111 6 kHz, is only 30% larger than the measured (14)N frequencies (834 kHz for diglycine hydrochloride and 843 kHz for TNT).

  15. Spectrometer gun

    Science.gov (United States)

    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.

  16. A general numerical analysis of time-domain NQR experiments.

    Science.gov (United States)

    Harel, Elad; Cho, Herman

    2006-12-01

    We introduce a general numerical approach for solving the Liouville equation of an isolated quadrupolar nuclide that can be used to analyze the unitary dynamics of time-domain NQR experiments. A numerical treatment is necessitated by the dimensionality of the Liouville space, which precludes analytical, closed form solutions for I > 3/2. Accurate simulations of experimental nutation curves, forbidden transition intensities, powder and single crystal spectra, and off-resonance irradiation dynamics can be computed with this method. We also examine the validity of perturbative approximations where the signal intensity of a transition is proportional to the transition moment between the eigenstates of the system, thus providing a simple basis for determining selection rules. Our method allows us to calculate spectra for all values of the asymmetry parameter, eta, and sample orientations relative to the coil axis. We conclude by demonstrating the methodology for calculating the response of the quadrupole system to amplitude- and frequency-modulated pulses.

  17. Cross-relaxation in multiple pulse NQR spin-locking

    Energy Technology Data Exchange (ETDEWEB)

    Beltjukov, P. A.; Kibrik, G. E. [Perm State University, Physics Department (Russian Federation); Furman, G. B., E-mail: gregoryf@bgu.ac.il; Goren, S. D. [Ben Gurion University, Physics Department (Israel)

    2008-01-15

    The experimental and theoretical NQR multiple-pulse spin locking study of cross-relaxation process in solids containing nuclei of two different sorts I > 1/2 and S = 1/2 coupled by the dipole-dipole interactions and influenced by an external magnetic field. Two coupled equations for the inverse spin temperatures of the both spin systems describing the mutual spin lattice relaxation and the cross-relaxation were obtained using the method of the nonequilibrium state operator. It is shown that the relaxation process is realized with non-exponential time dependence describing by a sum of two exponents. The cross relaxation time is calculated as a function of the multiple-pulse field parameters which agree with the experimental data. The calculated magnetization cross relaxation time vs the strength of the applied magnetic field agrees well with the obtained experimental data.

  18. Localization and function of the membrane-bound riboflavin in the Na+-translocating NADH:quinone oxidoreductase (Na+-NQR) from Vibrio cholerae.

    Science.gov (United States)

    Casutt, Marco S; Huber, Tamara; Brunisholz, René; Tao, Minli; Fritz, Günter; Steuber, Julia

    2010-08-27

    The sodium ion-translocating NADH:quinone oxidoreductase (Na(+)-NQR) from the human pathogen Vibrio cholerae is a respiratory membrane protein complex that couples the oxidation of NADH to the transport of Na(+) across the bacterial membrane. The Na(+)-NQR comprises the six subunits NqrABCDEF, but the stoichiometry and arrangement of these subunits are unknown. Redox-active cofactors are FAD and a 2Fe-2S cluster on NqrF, covalently attached FMNs on NqrB and NqrC, and riboflavin and ubiquinone-8 with unknown localization in the complex. By analyzing the cofactor content and NADH oxidation activity of subcomplexes of the Na(+)-NQR lacking individual subunits, the riboflavin cofactor was unequivocally assigned to the membrane-bound NqrB subunit. Quantitative analysis of the N-terminal amino acids of the holo-complex revealed that NqrB is present in a single copy in the holo-complex. It is concluded that the hydrophobic NqrB harbors one riboflavin in addition to its covalently attached FMN. The catalytic role of two flavins in subunit NqrB during the reduction of ubiquinone to ubiquinol by the Na(+)-NQR is discussed.

  19. The C-Cl bonds in trichloroethylidene trichlorolactic ester, Cl3CCHOCOCHOCCl3. A 35Cl-NQR single crystal study

    Science.gov (United States)

    Hashimoto, M.; Nagarajan, V.; Weiden, Norbert; Weiss, Alarich

    1983-01-01

    By single crystal 35Cl-NQR with a 4π Zeeman spectrometer, the six independent 35Cl-nuclear quadrupole coupling tensors in trichloroethylidene trichlorolactic ester (chloralide) Cl3CCHOCOCHOCC13 have been studied at T=21 °C. The directions of the electric field gradient (EFG) tensor components have been determined. The main axes φzz are within ±0.5° parallel to the C-Cl bound directions. Very small asymmetry parameters in the range 0.005≤η≤0.053 are characteristic for the EFG tensors of Cl bond to carbon in aliphatic systems, and the six nuclear quadrupole coupling constants are found in the range 76.053≤e2qQh-1/MHz≤78.790. The orientations of the principal axes φxx and φyy is explained as due to intramolecular interactions likely of through space origin.

  20. The Spectrometer

    Science.gov (United States)

    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…

  1. The GRAVITY spectrometers: optical qualification

    Science.gov (United States)

    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

  2. A computational NQR study on the hydrogen-bonded lattice of cytosine-5-acetic acid.

    Science.gov (United States)

    Mirzaei, Mahmoud; Hadipour, Nasser L

    2008-04-15

    A computational study at the level of density functional theory (DFT) employing 6-311++G** standard basis set was carried out to evaluate nuclear quadrupole resonance (NQR) spectroscopy parameters in cytosine-5-acetic acid (C5AA). Since the electric field gradient (EFG) tensors are very sensitive to the electrostatic environment at the sites of quadruple nuclei, the most possible interacting molecules with the target one were considered in a five-molecule model system of C5AA using X-ray coordinates transforming. The hydrogen atoms positions were optimized and two model systems of original and H-optimized C5AA were considered in NQR calculations. The calculated EFG tensors at the sites of (17)O, (14)N, and (2)H nuclei were converted to their experimentally measurable parameters, quadrupole coupling constants and asymmetry parameters. The evaluated NQR parameters reveal that the nuclei in original and H-optimized systems contribute to different hydrogen bonding (HB) interaction. The comparison of calculated parameters between optimized isolated gas-phase and crystalline monomer also shows the relationship between the structural deformation and NQR parameters in C5AA. The basis set superposition error (BSSE) calculations yielded no significant errors for employed basis set in the evaluation of NQR parameters. All the calculations were performed by Gaussian 98 package of program.

  3. Direct current superconducting quantum interference device spectrometer for pulsed nuclear magnetic resonance and nuclear quadrupole resonance at frequencies up to 5 MHz

    Science.gov (United States)

    TonThat, Dinh M.; Clarke, John

    1996-08-01

    A spectrometer based on a dc superconducting quantum interference device (SQUID) has been developed for the direct detection of nuclear magnetic resonance (NMR) or nuclear quadrupole resonance (NQR) at frequencies up to 5 MHz. The sample is coupled to the input coil of the niobium-based SQUID via a nonresonant superconducting circuit. The flux locked loop involves the direct offset integration technique with additional positive feedback in which the output of the SQUID is coupled directly to a low-noise preamplifier. Precession of the nuclear quadrupole spins is induced by a magnetic field pulse with the feedback circuit disabled; subsequently, flux locked operation is restored and the SQUID amplifies the signal produced by the nuclear free induction signal. The spectrometer has been used to detect 27Al NQR signals in ruby (Al2O3[Cr3+]) at 359 and 714 kHz.

  4. Oxidant-induced formation of a neutral flavosemiquinone in the Na+-translocating NADH:Quinone oxidoreductase (Na+-NQR) from Vibrio cholerae.

    Science.gov (United States)

    Tao, Minli; Casutt, Marco S; Fritz, Günter; Steuber, Julia

    2008-01-01

    The Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) from the human pathogen Vibrio cholerae is a respiratory flavo-FeS complex composed of the six subunits NqrA-F. The Na(+)-NQR was produced as His(6)-tagged protein by homologous expression in V. cholerae. The isolated complex contained near-stoichiometric amounts of non-covalently bound FAD (0.78 mol/mol Na(+)-NQR) and riboflavin (0.70 mol/mol Na(+)-NQR), catalyzed NADH-driven Na(+) transport (40 nmol Na(+)min(-1) mg(-1)), and was inhibited by 2-n-heptyl-4-hydroxyquinoline-N-oxide. EPR spectroscopy showed that Na(+)-NQR as isolated contained very low amounts of a neutral flavosemiquinone (10(-3) mol/mol Na(+)-NQR). Reduction with NADH resulted in the formation of an anionic flavosemiquinone (0.10 mol/mol Na(+)-NQR). Subsequent oxidation of the Na(+)-NQR with ubiquinone-1 or O(2) led to the formation of a neutral flavosemiquinone (0.24 mol/mol Na(+)-NQR). We propose that the Na(+)-NQR is fully oxidized in its resting state, and discuss putative schemes of NADH-triggered redox transitions.

  5. MASS SPECTROMETER

    Science.gov (United States)

    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.

  6. Two-dimensional nutation NQR broad-line spectra in oriented samples

    Energy Technology Data Exchange (ETDEWEB)

    Sinyavsky, N.; Korneva, I. [Baltic State Academy, Kaliningrad (Russian Federation); Ostafin, M.; Nogaj, B. [Dept. of Physics, Adam Mickiewicz Univ., Poznan (Poland); Mackowiak, M. [Inst. of Molecular Physics, Polish Academy of Sciences, Poznan (Poland)

    2006-09-15

    The NQR nutation method to determine the electric field gradient asymmetry parameter {eta} in systems, where the resonance line is so broad that the radio frequency field can excite only a portion of the nuclear spins, is presented. In this situation, the recently developed spectroscopic methods are not applicable. Two-dimensional nutation NQR spectra of oriented powders are calculated and used to determine {eta} at particular frequencies along a broad NQR line. The proposed method is useful for single crystals, oriented powders, glasses, and disordered systems even for small values of the asymmetry parameter. Therefore it can be used to evaluate fluctuations in {eta} and the quadrupole coupling constant e{sup 2}qQ due to inhomogeneities. We demonstrate the application of this method to oriented chalcogenide semiconducting glasses. (orig.)

  7. A correlation study of quinoline derivatives and their pharmaceutical behavior by ab initio calculated NQR parameters.

    Science.gov (United States)

    Rafiee, Marjan A; Hadipour, Nasser L; Naderi-manesh, Hossein

    2004-03-01

    In this paper, ab initio calculated NQR parameters for some quinoline-containing derivatives are presented. The calculations are carried out in a search for the relationships between the charge distribution of these compounds and their ability to interact with haematin. On the basis of NQR parameters, pi-electron density on the nitrogen atom of the quinoline ring plays a dominant role in determining the ability of quinolines to interact with haematin. This point was confirmed with investigation of Fe+3 cation-pi quinoline ring interactions in 2- and 4-aminoquinoline. However, our results do not show any preference for those carbon atoms of the quinoline ring which previous reports have noted. In order to calculate the NQR parameters, the electric field gradient (EFG) should be evaluated at the site of a quadrupolar nucleus in each compound. EFGs are calculated by the Gaussian 98 program using the B3LYP/6-31 G* level of theory.

  8. NQR study of pressure induced superconductivity in CeCu{sub 2}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Fujiwara, K.; Okazaki, Y.; Hata, Y.; Miyoshi, K.; Takeuchi, J. [Department of Materials Science, Shimane University, Matsue 690-8504 (Japan); Kobayashi, T.C. [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Geibel, C.; Steglich, F. [Max Planck Institute for Chemical Physics of Solids, Nothnitzer Strase 40, 01187 Dresden (Germany)

    2010-03-15

    We have measured nuclear quadrupole resonance (NQR) for {sup 63}Cu nuclei under high pressure up to 4.8 GPa. A linear increase in NQR frequency {sup 63} {nu}{sub Q} of {sup 63}Cu nuclei was observed below 3 GPa. However, {sup 63} {nu}{sub Q} deviates gradually from the linear relation above 3.5 GPa. The downward deviation is associated with a change of valence and consistent with the results of band calculations with the structural parameters under pressure. Antiferromagnetic (AFM) spin fluctuations are drastically suppressed with increasing pressure, whereas T{sub c} increases from 0.7 K at ambient pressure to 1.64 K at 4.2 GPa. We have found that bulk superconductivity suddenly disappears at 4.8 GPa accompanied with a rapid decrease in the density of states at the Fermi level. These are indenter pressure cells for NQR measurements. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  9. {sup 14}N NQR study of selected 1,4-benzoquinonedioximes

    Energy Technology Data Exchange (ETDEWEB)

    Singh, N., E-mail: nadiabeepath@hotmail.com; Stephenson, D., E-mail: david.stephenson@sta.uwi.edu [University of the West Indies, Chemistry Department (Trinidad and Tobago)

    2010-04-15

    The {sup 14}N NQR frequencies of selected 1,4-benzoquinonedioximes were measured using cross relaxation double resonance. As the number of substituents increase, a significant shift in the NQR values is observed. Comparison of unsubstituted and tri-substituted 1,4-benzoquinonedioximes shows that the quadrupole coupling constant ({chi}) increases by about 1000 kHz and the asymmetry parameter ({eta}) decreases from Almost-Equal-To 0.7 to 0.3 respectively. Ab-initio calculations show that for the unsubstituted compound hydrogen bonding between oxime groups and pi-ring stacking is possible which cannot be accommodated for in heavily methyl substituted dioximes and this results in distinct NQR parameters.

  10. Optimised NQR pulse technique for the effective detection of Heroin Base.

    Science.gov (United States)

    Rudakov, T N; Hayes, P A; Flexman, J H

    2008-03-01

    The nuclear quadrupole resonance (NQR) method has been applied to Heroin Base (HB) to find an optimised multi-pulse technique for effective detection of HB. Experimental results of applying the proposed spin-locking multi-pulse (SLMP) technique to nitrogen-14 NQR in this sample are presented and convincingly demonstrate as a path towards efficient detection. A detection using a sequence of this character could be achieved over real-world scan volumes for screening of goods. All experiments were carried out at room temperature.

  11. Study of {sup 14}N NQR response to SORC pulse sequence

    Energy Technology Data Exchange (ETDEWEB)

    Konnai, A., E-mail: konnai@nmri.go.jp; Odano, N. [National Maritime Research Institute, Department of Navigation and System Engineering (Japan); Asaji, T. [Nihon University, Department of Chemistry, College of Humanities and Sciences (Japan)

    2008-01-15

    The behavior of nuclear quadrupole resonance (NQR) signals between RF pulses of the strong off-resonance comb (SORC) as well as the spin-locking spin-echo (SLSE) pulse sequences was studied as for {sup 14}N NQR line {nu}{sub +} of dimethylnitramine (CH{sub 3}){sub 2}NNO{sub 2} at 77 K. The periodic variation of the signal amplitude observed by using SORC pulse sequence could be reasonably explained by the theoretical expression reported in the literature.

  12. Measurement of temperature and temperature gradient in millimeter samples by chlorine NQR

    OpenAIRE

    2015-01-01

    A mini-thermometer based on the ▫$^{35}Cl$▫ nuclear quadrupole resonance (NQR) frequency temperature dependence in the chlorates KClO▫$_3$▫ and NaClO▫$_3$▫ was built and successfully tested by measuring temperature and temperature gradient at 77 K and higher in about 100 mm▫$^3$▫ active volume of a mini Joule-Thomson refrigerator. In the design of the tank-circuit coil, an array of small coils connected in series enabled us (a) to achieve a suitable ratio of inductance to capacity in the NQR ...

  13. Broadband echo sequence using a pi composite pulse for the pure NQR of a spin I = 32 powder sample

    Science.gov (United States)

    Odin

    2000-04-01

    This work presents a numerical approach to optimizing sequences with composite pulses for the pure NQR of a spin I = 32 powder sample. The calculations are based on a formalism developed in a previous paper, which allows a fast powder-averaging procedure to be implemented. The framework of the Cayley-Klein matrices to describe space rotations by 2 x 2 unitary and unimodular complex matrices is used to calculate the pulse propagators. The object of such a study is to design a high-performance echo sequence composed of a single preparation pulse and a three-pulse composite transfer pulse. We mean a sequence leading to a large excitation bandwidth with a good signal-to-noise ratio, a flat excitation profile near the irradiation frequency, and a good linearity of the phase as a function of frequency offset. Such a composite echo sequence is intended to give a better excitation profile than the classical Hahn (θ)-tau-(2θ) echo sequence. It is argued that in pure NQR of a powder sample, the sequence must be optimized as a whole since both the excitation and the reception of the signal depend on the relative orientation of the crystallites with respect to the coil axis. To our knowledge, this is the first time such a global approach is presented. An extensive numerical study of the composite echo sequence described above is performed in this article. The key of the discrimination between the sequences lies in using the first five reduced moments of the excitation profile as well as an estimator of the phase linearity. Based on such information, we suggest that the echo sequence that best fulfills our criterion is (1)(0)-tau-(0.35)(0)(2.1)(pi)(0.35)(0), the pulse angles omega(RF)t(p) being in radians. The subscripts are the relative pulse phases. We outlined the way to implement the spin echo mapping method to reconstruct large spectra with this sequence, and it is shown that it reduces the acquisition time by a factor of 1.7 if compared to the classical Hahn echo. Some

  14. Computer Spectrometers

    Science.gov (United States)

    Dattani, Nikesh S.

    2017-06-01

    Ideally, the cataloguing of spectroscopic linelists would not demand laborious and expensive experiments. Whatever an experiment might achieve, the same information would be attainable by running a calculation on a computer. Kolos and Wolniewicz were the first to demonstrate that calculations on a computer can outperform even the most sophisticated molecular spectroscopic experiments of the time, when their 1964 calculations of the dissociation energies of H_2 and D_{2} were found to be more than 1 cm^{-1} larger than the best experiments by Gerhard Herzberg, suggesting the experiment violated a strict variational principle. As explained in his Nobel Lecture, it took 5 more years for Herzberg to perform an experiment which caught up to the accuracy of the 1964 calculations. Today, numerical solutions to the Schrödinger equation, supplemented with relativistic and higher-order quantum electrodynamics (QED) corrections can provide ro-vibrational spectra for molecules that we strongly believe to be correct, even in the absence of experimental data. Why do we believe these calculated spectra are correct if we do not have experiments against which to test them? All evidence seen so far suggests that corrections due to gravity or other forces are not needed for a computer simulated QED spectrum of ro-vibrational energy transitions to be correct at the precision of typical spectrometers. Therefore a computer-generated spectrum can be considered to be as good as one coming from a more conventional spectrometer, and this has been shown to be true not just for the H_2 energies back in 1964, but now also for several other molecules. So are we at the stage where we can launch an array of calculations, each with just the atomic number changed in the input file, to reproduce the NIST energy level databases? Not quite. But I will show that for the 6e^- molecule Li_2, we have reproduced the vibrational spacings to within 0.001 cm^{-1} of the experimental spectrum, and I will

  15. NQR Study of the Heavy-Fermion Pu-115 Superconductors

    Science.gov (United States)

    Koutroulakis, G.; Yasuoka, H.; Tobash, P. H.; Mitchell, J. N.; Bauer, E. D.; Thompson, J. D.

    2014-03-01

    We present 115In nuclear quadrupolar resonance (NQR) measurements on the heavy-fermion superconductors Pu MIn5 (M=Co, Rh; Tc=2.5K, 1.6K, respectively), in the temperature range 0 . 29 K <= T <= 100 K . From the identified spectral lines, we deduce the quadrupolar parameters for the two inequivalent In sites, which are found to be qualitatively similar to those for other Ce- and Pu-115s. The quadrupolar frequency νQ varies with temperature in the normal state as per the empirical formula for conventional metals. As superconductivity develops, however, νQ exhibits a sharp, albeit small shift, which is a key prediction of the theory of composite superconducting (SC) pairing. The temperature variation of the nuclear spin-lattice relaxation rate T1- 1 delineates distinctive regimes of dynamic behavior. An excess of strong in-plane antiferromagnetic spin fluctuations is observed in the vicinity of Tc, which are believed to be playing a central role in the formation of the SC condensate. Analysis of the T1- 1 data in the SC state suggests that these compounds are strong-coupling d-wave superconductors.

  16. The transient processes in multi-pulse nitrogen-14 NQR.

    Science.gov (United States)

    Mikhaltsevitch, V T; Rudakov, T N

    2003-12-01

    It has been demonstrated that transient processes, observed in a single crystal of NaNO2 acted upon by pulse sequences MW-2 and MW-4 and their modifications with 180 degrees flip angle of the pulses (Solid State Nucl. Magn. Resonance 10 (1997) 63; Sov. Phys.-JETP 88(5) (1999) 1580), which manifest themselves in the oscillating form of the NQR signals envelope, can be explained in the frames of a two-particle model. It has been proved that the nature of echo signals in the effective field of multi-pulse sequences received by the inversion of the phase of the sequence pulses or by introducing an additional 180 degrees pulse is connected with re-focusing of accumulated digressions of the flip angle from the ideal 180 degrees pulse. Experimental results of observing single and multiple echoes in a number of powdered nitrogenated substances in the effective field of various sequences at room temperature have been presented.

  17. Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations.

    Science.gov (United States)

    Nikolaev, Eugene N; Kostyukevich, Yury I; Vladimirov, Gleb N

    2016-01-01

    Fourier transform ion cyclotron resonance (FT ICR) mass spectrometer offers highest resolving power and mass accuracy among all types of mass spectrometers. Its unique analytical characteristics made FT ICR important tool for proteomics, metabolomics, petroleomics, and investigation of complex mixtures. Signal acquisition in FT ICR MS takes long time (up to minutes). During this time ion-ion interaction considerably affects ion motion and result in decreasing of the resolving power. Understanding of those effects required complicated theory and supercomputer simulations but culminated in the invention of the ion trap with dynamic harmonization which demonstrated the highest resolving power ever achieved. In this review we summarize latest achievements in theory and simulation of FT ICR mass spectrometers.

  18. Genomic plasticity of the rrn-nqrF intergenic segment in the Chlamydiaceae

    NARCIS (Netherlands)

    Liu, Zhi; Rank, Roger; Kaltenboeck, Bernhard; Magnino, Simone; Dean, Deborah; Burall, Laurel; Plaut, Roger D.; Read, Timothy D.; Myers, Garry; Bavoil, Patrik M.

    2007-01-01

    In Chlamydiaceae, the nucleotide sequence between the 5S rRNA gene and the gene for subunit F of the Na+-translocating NADH-quinone reductase (nqrF or dmpP) has varied lengths and gene contents. We analyzed this site in 45 Chlamydiaceae strains having diverse geographical and pathological origins an

  19. Genomic plasticity of the rrn-nqrF intergenic segment in the Chlamydiaceae

    NARCIS (Netherlands)

    Liu, Zhi; Rank, Roger; Kaltenboeck, Bernhard; Magnino, Simone; Dean, Deborah; Burall, Laurel; Plaut, Roger D.; Read, Timothy D.; Myers, Garry; Bavoil, Patrik M.

    2007-01-01

    In Chlamydiaceae, the nucleotide sequence between the 5S rRNA gene and the gene for subunit F of the Na+-translocating NADH-quinone reductase (nqrF or dmpP) has varied lengths and gene contents. We analyzed this site in 45 Chlamydiaceae strains having diverse geographical and pathological origins an

  20. 75As, 63Cu NMR and NQR characterization of selected arsenic minerals.

    Science.gov (United States)

    Lehmann-Horn, J A; Miljak, D G; Bastow, T J

    2013-01-01

    The direct measurement and identification of solid state arsenic phases using (75)As NMR is made difficult by the simultaneous conditions of large quadrupole moment and low coordination symmetry in many compounds. However, specific arsenic minerals can efficiently be detected and discriminated via nuclear quadrupolar resonance (NQR). We report on the first NMR and NQR measurements in the natural minerals enargite (Cu3AsS4), niccolite (NiAs), arsenopyrite (FeAsS) and loellingite (FeAs2). The NQR frequencies have been determined from both high-field NMR powder patterns and via zero-field frequency sweeps. Density functional theory (DFT) based ab initio calculations support the experimental results. The compounds studied here are common in terms of the known set of As-containing minerals. They are sometimes encountered in the context of base metal or gold mining. The study represents a significant addition to the list of arsenic minerals that can now be detected with NQR techniques.

  1. 35Cl NQR spectra of certain chlorine-containing chromium compounds

    Science.gov (United States)

    Kuznetsov, S. I.; Bryukhova, E. V.; Semin, G. K.

    2015-03-01

    The coordination of chlorobenzene to Cr(CO)3 and ClC6H5Cr+ fragments is shown to result in a considerable rise in the NQR frequency of chlorine atoms. The field constant in (chlorobenzene)chromium tricarbonyl was found to grow markedly, relative to pure chlorobenzene.

  2. Spin 3/2 Zeeman perturbed NQR in the presence of slow sample rotation.

    Science.gov (United States)

    Panguluri, R P; Suits, B H

    2006-09-01

    Theoretical and experimental results are presented for the case of Zeeman perturbed nuclear quadrupole resonance (NQR) using spin-3/2 nuclei with a small Zeeman interaction, gammaB0, while the sample is very slowly rotated. It is found that the decay envelope for a simple two-pulse echo measurement can be strongly affected even though the sample may rotate only a few degrees or less during the course of the measurement. To lowest order the decay envelope can be described using a one dimensional function of the product of gammaB0, the rotation rate, and the square of the pulse spacing. Aside from an indirect and weak dependence on the quadrupole asymmetry parameter, eta, the result is independent of the NQR frequency. Identical results are expected for a stationary sample in a small rotating magnetic field. The effect seen here may be used to advantage to measure rotational motion, for example of particles in fluids, or may be an additional complication for some Zeeman perturbed NQR measurements, including some NQR detection and imaging methods.

  3. Zeeman shift--a tool for assignment of 14N NQR lines of nonequivalent 14N atoms in powder samples.

    Science.gov (United States)

    Luznik, J; Jazbinsek, V; Pirnat, J; Seliger, J; Trontelj, Z

    2011-09-01

    The use of Zeeman perturbed 14N nuclear quadrupole resonance (NQR) to determine the ν+ and ν-14N lines in polycrystalline samples with several nonequivalent nitrogen atoms was investigated. The 14N NQR line shift due to a weak external Zeeman magnetic field was calculated, assuming isotropic distribution of EFG tensor directions. We calculated the broad line distribution of the ν+ and ν- line shifts and experimentally confirmed the calculated Zeeman field dependence of singularities (NQR peaks) in cyclotrimethylenetrinitramine (RDX) and aminotetrazole monohydrate (ATMH). The calculated and measured frequency shifts agreed well. The proposed measurement method enabled determination of which 14N NQR lines in ATMH belong to ν+ and which to ν- transitions.

  4. 14N NQR study of polymorphism and hydrogen bonding in molecular complex isonicotinamide-oxalic acid (2:1).

    Science.gov (United States)

    Seliger, J; Žagar, V

    2010-11-18

    The complete (14)N nuclear quadrupole resonance (NQR) spectra have been measured in the two polymorphic crystalline phases of the molecular complex isonicotinamide-oxalic acid (2:1) by nuclear quadrupole double resonance. The observed NQR frequencies, quadrupole coupling constants, and asymmetry parameters (η) have been assigned to the two nitrogen positions (ring and amide) in a molecule on the basis of the intensity and multiplicity of the double resonance signals. The NQR data for the ring nitrogen in both polymorphic phases deviate from the correlation relations observed in substituted pyridines. This deviation is analyzed in a model, where it is assumed that an additional electric charge on the nitrogen atom changes the NQR parameters. The model suggests that this additional electric charge is negative so that the N···H-O hydrogen bond seem to be partially ionic, of the type N(-)···H-O.

  5. FT-IR and FT-NIR Raman spectroscopy in biomedical research

    Science.gov (United States)

    Naumann, D.

    1998-06-01

    FT-IR and FT-NIR Raman spectra of intact microbial, plant animal or human cells, tissues, and body fluids are highly specific, fingerprint-like signatures which can be used to discriminate between diverse microbial species and strains, characterize growth-dependent phenomena and cell-drug interactions, and differentiate between various disease states. The spectral information potentially useful for biomedical characterizations may be distributed over the entire infrared region of the electromagnetic spectrum, i.e. over the near-, mid-, and far-infrared. It is therefore a key problem how the characteristic vibrational spectroscopic information can be systematically extracted from the infrared spectra of complex biological samples. In this report these questions are addressed by applying factor and cluster analysis treating the classification problem of microbial infrared spectra as a model task. Particularly interesting applications arise by means of a light microscope coupled to the FT-IR spectrometer. FT-IR spectra of single microcolonies of less than 40 μm in diameter can be obtained from colony replica applying a stamping technique that transfers the different, spatially separated microcolonies from the culture plate to a special IR-sample holder. Using a computer controlled x,y-stage together with mapping and video techniques, the fundamental tasks of microbiological analysis, namely detection, enumeration, and differentiation of micro-organisms can be integrated in one single apparatus. Since high quality, essentially fluorescence free Raman spectra may now be obtained in relatively short time intervals on previously intractable biological specimens, FT-IR and NIR-FT-Raman spectroscopy can be used in tandem to characterize biological samples. This approach seems to open up new horizons for biomedical characterizations of complex biological systems.

  6. Teknologiløft

    DEFF Research Database (Denmark)

    Wickmann, Jane; Fertin, Claus; Hansen, Hans Nørgaard;

    virksomhedsledere og medarbejdere oplever i forhold til at kunne agere på de udfordringer, man møder i en globaliseret, teknologiorienteret økonomi. Vi har bedt mennesker, som har udfordringerne med teknologiløft inde på livet, om at fortælle deres historie, redegøre for gode og dårlige erfaringer, inspirere og...

  7. The conformational changes induced by ubiquinone binding in the Na+-pumping NADH:ubiquinone oxidoreductase (Na+-NQR) are kinetically controlled by conserved glycines 140 and 141 of the NqrB subunit.

    Science.gov (United States)

    Strickland, Madeleine; Juárez, Oscar; Neehaul, Yashvin; Cook, Darcie A; Barquera, Blanca; Hellwig, Petra

    2014-08-22

    Na(+)-pumping NADH:ubiquinone oxidoreductase (Na(+)-NQR) is responsible for maintaining a sodium gradient across the inner bacterial membrane. This respiratory enzyme, which couples sodium pumping to the electron transfer between NADH and ubiquinone, is not present in eukaryotes and as such could be a target for antibiotics. In this paper it is shown that the site of ubiquinone reduction is conformationally coupled to the NqrB subunit, which also hosts the final cofactor in the electron transport chain, riboflavin. Previous work showed that mutations in conserved NqrB glycine residues 140 and 141 affect ubiquinone reduction and the proper functioning of the sodium pump. Surprisingly, these mutants did not affect the dissociation constant of ubiquinone or its analog HQNO (2-n-heptyl-4-hydroxyquinoline N-oxide) from Na(+)-NQR, which indicates that these residues do not participate directly in the ubiquinone binding site but probably control its accessibility. Indeed, redox-induced difference spectroscopy showed that these mutations prevented the conformational change involved in ubiquinone binding but did not modify the signals corresponding to bound ubiquinone. Moreover, data are presented that demonstrate the NqrA subunit is able to bind ubiquinone but with a low non-catalytically relevant affinity. It is also suggested that Na(+)-NQR contains a single catalytic ubiquinone binding site and a second site that can bind ubiquinone but is not active.

  8. Riboflavin is an active redox cofactor in the Na+-pumping NADH: quinone oxidoreductase (Na+-NQR) from Vibrio cholerae.

    Science.gov (United States)

    Juárez, Oscar; Nilges, Mark J; Gillespie, Portia; Cotton, Jennifer; Barquera, Blanca

    2008-11-28

    Here we present new evidence that riboflavin is present as one of four flavins in Na+-NQR. In particular, we present conclusive evidence that the source of the neutral radical is not one of the FMNs and that riboflavin is the center that gives rise to the neutral flavosemiquinone. The riboflavin is a bona fide redox cofactor and is likely to be the last redox carrier of the enzyme, from which electrons are donated to quinone. We have constructed a double mutant that lacks both covalently bound FMN cofactors (NqrB-T236Y/NqrC-T225Y) and have studied this mutant together with the two single mutants (NqrB-T236Y and NqrC-T225Y) and a mutant that lacks the noncovalently bound FAD in NqrF (NqrF-S246A). The double mutant contains riboflavin and FAD in a 0.6:1 ratio, as the only flavins in the enzyme; noncovalently bound flavins were detected. In the oxidized form, the double mutant exhibits an EPR signal consistent with a neutral flavosemiquinone radical, which is abolished on reduction of the enzyme. The same radical can be observed in the FAD deletion mutant. Furthermore, when the oxidized enzyme reacts with ubiquinol (the reduced form of the usual electron acceptor) in a process that reverses the physiological direction of the electron flow, a single kinetic phase is observed. The kinetic difference spectrum of this process is consistent with one-electron reduction of a neutral flavosemiquinone. The presence of riboflavin in the role of a redox cofactor is thus far unique to Na+-NQR.

  9. Development of Miniature Spectrometers

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhi-guo

    2007-01-01

    Spectrometer is an essential and necessary optical element used for measuring the chemical components and content of the matter.The development of miniature spectrometers can be traced back to 1980s.The development state and different manufacturing methods of micro-spectrometers are presented.Finally,we analyze the miniaturization trend of spectrometers.Some groundwork for the scientific research is offered by introducing micro-spectrometers development.

  10. I: Low Frequency NMR and NQR Using a dc SQUID. II: Variable-temperature 13C CP/MAS of Organometallics

    Energy Technology Data Exchange (ETDEWEB)

    Ziegeweid, Marcia A. [Univ. of California, Berkeley, CA (United States)

    1995-11-01

    NMR and NQR at low frequencies are difficult prospects due to small nuclear spin polarization. Furthermore, the sensitivity of the inductive pickup circuitry of standard spectrometers is reduced as the frequency is lowered. I have used a cw-SQUID (Superconducting Quantum Interference Device) spectrometer, which has no such frequency dependence, to study the local atomic environment of 14N via the quadrupolar interaction. Because 14N has spin I = 1 and a 0-6 MHz frequency range, it is not possible to obtain well-resolved spectra in high magnetic fields. I have used a technique to observe 14N NQR resonances via their effect on neighboring protons mediated by the heteronuclear dipolar interaction to study peptides and narcotics. The sensitivity of the SQUID is not enough to measure low-frequency surface (or other low spin density) systems. The application of spin-polarized xenon has been previously used to enhance polarization in conventional NMR experiments. Because xenon only polarizes spins with which it is in contact, it is surface selective. While differences in chemical shifts between surface and bulk spins are not large, it is expected that the differences in quadrupole coupling constant should be very large due to the drastic change of the electric field gradient surrounding spins at the surface. With this in mind, I have taken preliminary steps to measure SQUID detected polarization transfer from Xe to another spin species at 4.2 K and in small magnetic fields (<50 G). In this regime, the spin-lattice relaxation of xenon is dependent on the applied magnetic field. The results of our efforts to characterize the relaxation of xenon are presented. The final section describes the solid-state variable-temperature (VT) one- and two-dimensional 13C cross polarization (CP)/magic angle spinning (MAS) NMR of Hf(η5-C5H5)21-C5H5)2, Zr

  11. I: Low Frequency NMR and NQR Using a dc SQUID. II: Variable-temperature 13C CP/MAS of Organometallics

    Energy Technology Data Exchange (ETDEWEB)

    Ziegeweid, M.A.

    1995-11-29

    NMR and NQR at low frequencies are difficult prospects due to small nuclear spin polarization. Furthermore, the sensitivity'of the inductive pickup circuitry of standard spectrometers is reduced as the frequency is lowered. I have used a cw-SQUID (Superconducting QUantum Interference Device) spectrometer, which has no such frequency dependence, to study the local atomic environment of {sup 14}N via the quadrupolar interaction. Because {sup 14}N has spin I = 1 and a 0-6 MHz frequency range, it is not possible to obtain well-resolved spectra in high magnetic fields. I have used a technique to observe {sup 14}N NQR resonances via their effect on neighboring protons mediated by the heteronuclear dipolar interaction to study peptides and narcotics. The sensitivity of the SQUID is not enough to measure low-frequency surface (or other low spin density) systems. The application of spin-polarized xenon has been previously used to enhance polarization in conventional NMR experiments. Because xenon only polarizes spins with which it is in contact, it is surface selective. While differences in chemical shifts between surface and bulk spins are not large, it is expected that the differences in quadrupole coupling constant should be very large due to the drastic change of the electric field gradient surrounding spins at the surface. With this in mind, I have taken preliminary steps to measure SQUID detected polarization transfer from Xe to another spin species at 4.2 K and in small magnetic fields (<50 G). In this regime, the spin-lattice relaxation of xenon is dependent on the applied magnetic field. The results of our efforts to characterize the relaxation of xenon are presented. The final section describes the solid-state variable-temperature (VT) one- and two-dimensional {sup 13}C cross polarization (CP)/magic angle spinning (MAS) NMR of Hf({eta}{sup 5}-C{sub 5}H{sub 5}){sub 2}({eta}{sup 1}-C{sub 5}H{sub 5}){sub 2}, Zr({eta}{sup 5}-C{sub 5}H{sub 5}){sub 3}({eta}{sup 1

  12. DC SQUID Spectrometers for Nuclear Quadrupole and Low-Field Nuclear Magnetic Resonance Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    TonThat, Dinh M. [Univ. of California, Berkeley, CA (United States)

    1998-04-01

    The dc Superconducting Quantum Interference Device (SQUJD) is a very sensitive detector of magnetic flux, with a typical flux noise of the order of 1 μΦ0Hz-1/2 at liquid helium temperature (Φ0=h/2e). This inherent flux sensitivity of the SQUID is used in a spectrometer for the detection of nuclear magnetic resonance (NMR.)and nuclear quadruple resonance (NQR). The processing magnetic field from the nuclear spins is coupled to the SQUID by mean of a flux transformer. The SQUID NMR spectrometer is used to measure the longitudinal relaxation time T1 of solid 129Xe at 4.2 K down to 0.1 mT.

  13. Structure-activity study of thiazides by magnetic resonance methods (NQR, NMR, EPR) and DFT calculations.

    Science.gov (United States)

    Latosińska, J N

    2005-01-01

    The paper presents a comprehensive analysis of the relationship between the electronic structure of thiazides and their biological activity. The compounds of interest were studied in solid state by the resonance methods nuclear quadrupole resonance (NQR), nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) and quantum chemistry (ab inito and DFT) methods. Detailed parallel analysis of the spectroscopic parameters such as quadrupole coupling constant (QCC) NQR chemical shift (delta), chemical shift anisotropy (CSA), asymmetry parameter (eta), NMR and hyperfine coupling constant (A), EPR was performed and the electronic effects (polarisation and delocalisation) were revealed and compared. Biological activity of thiazides has been found to depend on many factors, but mainly on the physico-chemical properties whose assessment was possible on the basis of electron density determination in the molecules performed by experimental and theoretical methods.

  14. Nitrogen-14 nuclear quadrupole resonance (NQR): dramatic sensitivity enhancement by large and fast temperature lowering.

    Science.gov (United States)

    Ferrari, Maude; Retournard, Alain; Canet, Daniel

    2007-10-01

    We have observed that, when going rapidly from ambient temperature down to liquid nitrogen temperature, the nitrogen-14 NQR signal (for transitions involving the m=0 spin state, nitrogen-14 being a quadrupolar nucleus of spin I=1) is increased by a factor of ca. 10(2). While Boltzmann statistics cannot explain this enhancement, the strong temperature dependence of the quadrupolar interaction is very likely to be at the origin of this phenomenon. Indeed, the quadrupolar Hamiltonian becomes time dependent and is prone to induce transitions toward the spin state associated with m=0. Its binding and slow relaxing properties result in a durable increased population and consequently in an increased intensity of NQR lines originating from the state m=0.

  15. Cross-polarisation method for improvement of 14N NQR signal detectability.

    Science.gov (United States)

    Rudakov, T N; Hayes, P A

    2006-11-01

    This is a study of the cross-polarization effects in the case of 14N quadrupolar spin-system with a long spin-lattice relaxation time. Two important benefits of the cross-polarization technique were demonstrated for PETN: (i) a polarization transfer resulting in increased NQR single shot signal response and (ii) a dynamic reduction in recovery time of the NQR system allowing scan repetition on a much shorter timescale. It was proved that this technique can reduce the optimal waiting time between pulse sequences up to 60 times through a significant reduction of the relaxation time of the quadrupolar spin-system. All experiments were carried out at room temperature using spin-locking multi-pulse sequences and small external magnetic field.

  16. 75As-NQR study of the hybridization gap semiconductor CeOs4As12

    Science.gov (United States)

    Yogi, M.; Higa, N.; Niki, H.; Kawata, T.; Sekine, C.

    2016-02-01

    We performed an 75As nuclear quadrupole resonance (NQR) measurement on CeOs4As12. The 75As-NQR spectrum shape demonstrates that the Ce-site filling fraction of our high-pressure synthesized sample is close to unity. A presence of the c — f hybridization gap is confirmed from the temperature dependence of the nuclear spin-lattice relaxation rate 1/T1. An increase of 1/T1 below ∼3 K indicates a development of the spin fluctuations. The 1/T1 for CeOs4As12 shows similar behavior as that for CeOs4Sb12 with different magnitude of the c — f hybridization gap. An absence of phase transition in CeOs4As12 may be caused by the increase of the c — f hybridization, which increases the gap magnitude and reduces the residual density of state inside the gap.

  17. NQR application to the study of hydrogen dynamics in hydrogen-bonded molecular dimers

    Science.gov (United States)

    Asaji, Tetsuo

    2016-12-01

    The temperature dependences of 1H NMR as well as 35Cl NQR spin-lattice relaxation times T 1 were investigated in order to study the hydrogen transfer dynamics in carboxylic acid dimers in 3,5-dichloro- and 2,6-dichlorobenzoic acids. The asymmetry energy A/ k B and the activation energy V/ k B for the hydrogen transfer were estimated to be 240 K and 900 K, and 840 K and 2500 K, respectively, for these compounds. In spite of a large asymmetric potential the quantum nature of hydrogen transfer is recognized in the slope of the temperature dependence of T 1 on the low-temperature side of the T 1 minimum. The NQR T 1 measurements was revealed to be a good probe for the hydrogen transfer dynamics.

  18. Pressure and temperature dependence of the chlorine NQR in caesium and sodium chlorates.

    Science.gov (United States)

    Ramesh, K P; Suresh, K S; Raghavendra Rao, C; Ramakrishna, J

    2008-06-01

    The (35)Cl nuclear quadrupole resonance (NQR) frequencies (nu(Q)) in caesium and sodium chlorates were measured as a function of temperature, from 77 to 300 K at different pressures up to 5.1 kbar, and the data were analysed to estimate the volume dependence of the electric field gradient (EFG), torsional frequency and also the contributions to the NQR frequency from static and dynamic effects. The variation of spin-lattice relaxation time with pressure at different temperatures was studied in the case of sodium chlorate and at room temperature in case of caesium chlorate. The pressure dependence of the spin-lattice relaxation time (T(1)) suggests that the relaxation is mainly due to the torsional motions.

  19. A NQR study of CeOs{sub 2}Al{sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    KATO, Harukazu; TAKESAKA, Tomoaki; Kobayashi, Riki; NISHIOKA, Takashi; MATSUMURA, Masahiro [Faculty of Science, Kochi University, Kochi 780-8520 (Japan); TOKUNAGA, Yo; KAMBE, Shinsaku, E-mail: katoharu@kochi-u.ac.jp [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

    2011-01-01

    NQR measurements have been carried out for the Al nuclei in CeOs{sub 2}Al{sub 10}, which shows a mysterious transition at T{sub 0} = 29 K. Some of the NQR lines split into two lines below T{sub 0}, reflecting by symmetry lowering which occurs in the ordered state. The spin-lattice relaxation rate 1/T{sub 1} does not show a linear temperature dependence in the ordered state, but reaches a constant value with the temperature down to zero kelvin. This implies that the present compound has no density of states at the Fermi energy. These results are compared with those reported on CeRu{sub 2}Al{sub 10}.

  20. Establishment of β-NMR and β-NQR Setup at CIAE

    Institute of Scientific and Technical Information of China (English)

    M.Mihara; M.Fukuda; K.Matsuta; T.; Minamisono

    2002-01-01

    β-NMR and β-NQR technique is the nuclear magnetic resonance and nuclear quadrupole resonancetechnique that makes use of unstable β-emitting nuclei as the detection probe. The β-NMR and β-NQRtechnique is an indispensable experimental method in nuclear physics, particle physics and condensedmatter physics. It is used to study the nuclear structure and properties and the microstructure and

  1. {sup 35}Cl NQR spectra of group 1 and silver dichloromethanesulfonates

    Energy Technology Data Exchange (ETDEWEB)

    Gillette, Gabriel; Wulfsberg, Gary, E-mail: gwulfsbe@mtsu.edu [Middle Tennessee State University, Department of Chemistry (United States)

    2008-01-15

    The dichloromethanesulfonates of silver and other +1-charged cations, M{sup +} (Cl{sub 2}CHSO{sub 3}{sup -}) (M = Ag, Tl, Li, Na, K, Rb, Cs) were synthesized and studied by {sup 35}Cl NQR. Dichloromethanesulfonic acid was prepared by the methanolysis of dichloromethanesulfonyl chloride, and was then neutralized with the carbonates of the +1-charged cations to produce the corresponding dichloromethanesulfonate salt. This NQR study completed the investigation of the chloroacetates and chloromethanesulfonates of silver, Ag{sup +} (Cl{sub x}CH{sub 3-x}SO{sub 3}{sup -}) and Ag{sup +}(Cl{sub x}CH{sub 3-x}CO{sub 2}{sup -}), and suggests (1) that the ability of organochlorine atoms to coordinate to silver decreases as the number of electron-withdrawing groups (Cl, SO{sub 3}{sup -}, CO{sub 2}{sup -}) attached to the carbon atom increases; (2) that the unusually large NQR spectral width found among M{sup +} (Cl{sub 2}CHCO{sub 2}{sup +}) salts is not present among M{sup +} (Cl{sub 2}CHSO{sub 3}{sup +}) salts, and therefore is not generally characteristic of the dichloromethyl group in salts.

  2. A SSS Spectrometer

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The SSS spectrometer, so called simple scintillation spectrometer, is made by BTI (Bubble Technology Industries). The spectrometer can be used in the neutron energy range from 4.0 to 17 MeV. The SSS includes two sections: A probe and an analyzer module

  3. Correlation between proton transfer and (35)Cl NQR frequency as well as molecular geometry of chloranilic acid in co-crystals with some organic bases.

    Science.gov (United States)

    Asaji, Tetsuo; Seliger, Janez; Zagar, Veselko; Ishida, Hiroyuki

    2010-07-01

    Proton transfer in hydrogen-bonded organic co-crystals of chloranilic acid with some organic bases was investigated by nuclear quadrupole resonance (NQR) spectroscopy. The (35)Cl NQR frequencies of chloranilic acid molecule as well as (14)N NQR frequencies of the organic base molecule were measured with the conventional pulse methods as well as double-resonance methods, respectively. The extent of proton transfer in the O...H...N hydrogen bond was estimated from Townes-Dailey analysis of the (14)N NQR parameters. The (35)Cl NQR frequency and molecular geometry of chloranilic acid are correlated to the extent of proton transfer in the protonation process of the organic base molecule. It is shown that the hydrogen bond affects the pi-electron system of chloranilic acid. Geometry dependence of the O...H...N hydrogen bond, i.e. the H-N valence bond order versus the hydrogen-bond geometry correlation is also discussed.

  4. Atomic Beam Laser Spectrometer for In-field Isotopic Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Alonso [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Actinide Analytical Chemistry Group

    2016-06-22

    This is a powerpoint presentation for the DTRA quarterly program review that goes into detail about the atomic beam laser spectrometer for in-field isotopic analysis. The project goals are the following: analysis of post-detonation debris, determination of U and Pu isotopic composition, and fieldable prototype: < 2ft3, < 1000W.

  5. Vacuum Ultraviolet Photodissociation and Fourier Transform–Ion Cyclotron Resonance (FT-ICR) Mass Spectrometry: Revisited

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, Jared B.; Robinson, Errol W.; Pasa-Tolic, Ljiljana

    2016-02-16

    We revisited the implementation of UVPD within the ICR cell of a FT-ICR mass spectrometer. UVPD performance characteristics were examined in the context of recent developments in the understanding of UVPD and in-cell tandem mass spectrometry. Efficient UVPD and photo-ECD of a model peptide and small protein within the ICR cell of a FT-ICR mass spectrometer are accomplished through appropriate modulation of laser pulse timing relative to ion magnetron motion and the potential applied to an ion optical element that photons impinge on. It is shown that UVPD yields efficient and extensive fragmentation resulting in excellent sequence coverage for model peptide and protein cations.

  6. FT-Raman spectroscopy study of human breast tissue

    Science.gov (United States)

    Bitar Carter, Renata A.; Martin, Airton A.; Netto, Mario M.; Soares, Fernando A.

    2004-07-01

    Optical spectroscopy has been extensively studied as a potential in vivo diagnostic tool to provide information about the chemical and morphologic structure of tissue. Raman Spectroscpy is an inelastic scattering process that can provide a wealth of spectral features that can be related to the specific molecular structure of the sample. This article reports results of an in vitro study of the FT-Raman human breast tissue spectra. An Nd:YAG laser at 1064nm was used as the excitation source in the FT-Raman Spectrometer. The neoplastic human breast samples, both Fibroadenoma and ICD, were obtained during therapeutical routine medical procedures required by the primary disease, and the non-diseased human tissue was obtained in plastic surgery. No sample preparation was needed for the FT-Raman spectra collection. The FT-Raman spectra were recorded from normal, benign (Fibroadenomas) and malignant (IDC-Intraductal Carcinoma) samples, adding up 51 different areas. The main spectral differences of a typical FT-Raman spectra of a Normal (Non-diseased), Fibroadenoma, and Infiltrating Ductal Carcinoma (IDC) breast tissue at the interval of 600 to 1800cm-1, which may differentiate diagnostically the sample, were found in the bands of 1230 to 1295cm-1, 1440 to 1460 cm-1 and 1650 to 1680 cm-1, assigned to the vibrational bands of the carbohydrate-amide III, proteins and lipids, and carbohydrate-amide I, respectively.

  7. The sodium pumping NADH:quinone oxidoreductase (Na⁺-NQR), a unique redox-driven ion pump.

    Science.gov (United States)

    Barquera, Blanca

    2014-08-01

    The Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) is a unique Na(+) pumping respiratory complex found only in prokaryotes, that plays a key role in the metabolism of marine and pathogenic bacteria, including Vibrio cholerae and other human pathogens. Na(+)-NQR is the main entrance for reducing equivalents into the respiratory chain of these bacteria, catalyzing the oxidation of NADH and the reduction of quinone, the free energy of this redox reaction drives the selective translocation of Na(+) across the cell membrane, which energizes key cellular processes. In this review we summarize the unique properties of Na(+)-NQR in terms of its redox cofactor composition, electron transfer reactions and a possible mechanism of coupling and pumping.

  8. The weakly coordinating trichloromethanesulfonate anion: NQR comparison of its coordinating abilities via oxygen with those of the chloroacetate ions.

    Science.gov (United States)

    Wulfsberg, Gary; Cochran, Michael; Wilcox, Jamie; Koritsanszky, Tibor; Jackson, Debra Jones; Howard, James C

    2004-03-22

    Ionic and covalent derivatives of the chlorine analogue of the nonbasic, weakly coordinating triflate ion, Cl3CSO3(-) or "trichlate" ion, have been prepared and compared with the corresponding more strongly coordinated chloroacetates, Cl(x)CH(3-x)CO(2)M (x = 1-3), using 35Cl NQR (nuclear quadrupole resonance) spectroscopy. The (35)Cl NQR frequencies of all types of derivatives are sensitive to the nature of the metal ion or Lewis acid and are most sensitive in the case of monochloroacetates. In covalent (including zirconocene) derivatives, the average NQR frequencies fall as the Pauling electronegativity of M falls. The results for ionic derivatives contrast with previous results for ionic hexachlorometalates: the average (35)Cl NQR frequencies drop sharply as the ionic radius of the group 1 cation increases. Ab initio Gaussian 98 computations at the B3LYP/6-311++G(3df,3pd) level on isolated XCH2CO2M (M = Li, Na, K; X = F, Cl) molecules duplicate this trend, showing increasing polarization of the C-Cl bond and smaller electric field gradients for larger group 1 ions; the relevance of this to the solid state polymerization of chloroacetates (Herzberg, O.; Epple, M. Eur. J. Inorg. Chem. 2001, 1395-1406) is discussed. We have prepared the dihydrate and monohydrate of trichlic acid, Cl3CSO3H. Although trichlates have the highest average NQR frequencies of any of these salts, the NQR frequencies of trichlic acid dihydrate are anomalously lower than those of trichloroacetic acid, which suggests that it is a strong acid, ionized in the solid state to H5O2+ and Cl3CSO3(-) ions.

  9. Weakly coordinating anions: crystallographic and NQR studies of halogen-metal bonding in silver, thallium, sodium, and potassium halomethanesulfonates.

    Science.gov (United States)

    Wulfsberg, Gary; Parks, Katherine D; Rutherford, Richard; Jackson, Debra Jones; Jones, Frank E; Derrick, Dana; Ilsley, William; Strauss, Steven H; Miller, Susie M; Anderson, Oren P; Babushkina, T A; Gushchin, S I; Kravchenko, E A; Morgunov, V G

    2002-04-22

    35Cl, (79,81)Br, and (127)I NQR (nuclear quadrupole resonance) spectroscopy in conjunction with X-ray crystallography is potentially one of the best ways of characterizing secondary bonding of metal cations such as Ag(+) to halogen donor atoms on the surfaces of very weakly coordinating anions. We have determined the X-ray crystal structure of Ag(O(3)SCH(2)Cl) (a = 13.241(3) A; b = 7.544(2) A; c = 4.925(2) A; orthorhombic; space group Pnma; Z = 4) and compared it with the known structure of Ag(O(3)SCH(2)Br) (Charbonnier, F.; Faure, R.; Loiseleur, H. Acta Crystallogr., Sect. B 1978, 34, 3598-3601). The halogen atom in each is apical (three-coordinate), being weakly coordinated to two silver ions. (127)I NQR studies on Ag(O(3)SCH(2)I) show the expected NQR consequences of three-coordination of iodine: substantially reduced NQR frequencies nu(1) and nu(2) and a fairly small NQR asymmetry parameter eta. The reduction of the halogen NQR frequency of the coordinating halogen atom in Ag(O(3)SCH(2)X) becomes more substantial in the series X = Cl < Br < I, indicating that the coordination to Ag(+) strengthens in this series, as expected from hard-soft acid-base principles. The numbers of electrons donated by the organic iodine atom to Ag(+) have been estimated; these indicate that the bonding to the cation is weak but not insignificant. We have not found any evidence for the bonding of these organohalogen atoms to another soft-acid metal ion, thallium. A scheme for recycling of thallium halide wastes is included.

  10. Spherical grating spectrometers

    Science.gov (United States)

    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.

  11. $f(T)$ gravitational baryogenesis

    CERN Document Server

    Oikonomou, V K

    2016-01-01

    We investigate the gravitational baryogenesis mechanism in a universe governed by $f(T)$ gravity. We consider two possible baryogenesis terms, and we calculate the resulting baryon-to-entropy ratio in the case where the background cosmology is determined by either simple teleparallel gravity or by three specific, viable, $f(T)$ models. As we show, $f(T)$ gravity can provide a baryogenesis mechanism in agreement with observations. Reversely, one can use the observed value of baryon-to-entropy ratio in order to constrain the various models.

  12. Weakly first-order behavior in ferromagnetic transition of UCoGe revealed by {sup 59}Co-NQR studies

    Energy Technology Data Exchange (ETDEWEB)

    Hattori, T., E-mail: t.hattori@scphys.kyoto-u.ac.j [Department of Physics, Graduate School of Science, Kyoto University, Kyoto 606-802 (Japan); Ishida, K.; Nakai, Y. [Department of Physics, Graduate School of Science, Kyoto University, Kyoto 606-802 (Japan); Ohta, T.; Deguchi, K.; Sato, N.K. [Department of Physics, Graduate School of Science, Nagoya University, Nagoya 464-8602 (Japan); Satoh, I. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2010-12-15

    We have performed {sup 59}Co nuclear quadrupole resonance (NQR) measurements on ferromagnetic (FM) superconductor UCoGe, in which ferromagnetism occurs at T{sub Curie} {approx} 2.5 K. By measuring NQR spectrum at various temperatures, we investigated the development of local magnetic moment around T{sub Curie}, and suggest that FM transition possesses weakly first-order character. This first-order behavior is consistent with the theoretical prediction that the low temperature FM transition in itinerant magnets is generically of first-order.

  13. Broadband Echo Sequence Using a π Composite Pulse for the Pure NQR of a Spin I = {3}/{2} Powder Sample

    Science.gov (United States)

    Odin, Christophe

    2000-04-01

    This work presents a numerical approach to optimizing sequences with composite pulses for the pure NQR of a spin I = {3}/{2} powder sample. The calculations are based on a formalism developed in a previous paper, which allows a fast powder-averaging procedure to be implemented. The framework of the Cayley-Klein matrices to describe space rotations by 2 × 2 unitary and unimodular complex matrices is used to calculate the pulse propagators. The object of such a study is to design a high-performance echo sequence composed of a single preparation pulse and a three-pulse composite transfer pulse. We mean a sequence leading to a large excitation bandwidth with a good signal-to-noise ratio, a flat excitation profile near the irradiation frequency, and a good linearity of the phase as a function of frequency offset. Such a composite echo sequence is intended to give a better excitation profile than the classical Hahn (θ)-τ-(2θ) echo sequence. It is argued that in pure NQR of a powder sample, the sequence must be optimized as a whole since both the excitation and the reception of the signal depend on the relative orientation of the crystallites with respect to the coil axis. To our knowledge, this is the first time such a global approach is presented. An extensive numerical study of the composite echo sequence described above is performed in this article. The key of the discrimination between the sequences lies in using the first five reduced moments of the excitation profile as well as an estimator of the phase linearity. Based on such information, we suggest that the echo sequence that best fulfills our criterion is (1)0-τ-(0.35)0(2.1)π(0.35)0, the pulse angles ωRFtp being in radians. The subscripts are the relative pulse phases. We outlined the way to implement the spin echo mapping method to reconstruct large spectra with this sequence, and it is shown that it reduces the acquisition time by a factor of 1.7 if compared to the classical Hahn echo. Some other

  14. Inhibition of the sodium-translocating NADH-ubiquinone oxidoreductase [Na+-NQR] decreases cholera toxin production in Vibrio cholerae O1 at the late exponential growth phase.

    Science.gov (United States)

    Minato, Yusuke; Fassio, Sara R; Reddekopp, Rylan L; Häse, Claudia C

    2014-01-01

    Two virulence factors produced by Vibrio cholerae, cholera toxin (CT) and toxin-corregulated pilus (TCP), are indispensable for cholera infection. ToxT is the central regulatory protein involved in activation of CT and TCP expression. We previously reported that lack of a respiration-linked sodium-translocating NADH-ubiquinone oxidoreductase (Na(+)-NQR) significantly increases toxT transcription. In this study, we further characterized this link and found that Na(+)-NQR affects toxT expression only at the early-log growth phase, whereas lack of Na(+)-NQR decreases CT production after the mid-log growth phase. Such decreased CT production was independent of toxT and ctxB transcription. Supplementing a respiratory substrate, l-lactate, into the growth media restored CT production in the nqrA-F mutant, suggesting that decreased CT production in the Na(+)-NQR mutant is dependent on electron transport chain (ETC) activity. This notion was supported by the observations that two chemical inhibitors, a Na(+)-NQR specific inhibitor 2-n-Heptyl-4-hydroxyquinoline N-oxide (HQNO) and a succinate dehydrogenase (SDH) inhibitor, thenoyltrifluoroacetone (TTFA), strongly inhibited CT production in both classical and El Tor biotype strains of V. cholerae. Accordingly, we propose the main respiratory enzyme of V. cholerae, as a potential drug target to treat cholera because human mitochondria do not contain Na(+)-NQR orthologs. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. 35Cl NQR frequency and spin lattice relaxation time in 3,4-dichlorophenol as a function of pressure and temperature.

    Science.gov (United States)

    Ramu, L; Ramesh, K P; Chandramani, R

    2013-01-01

    The pressure dependences of (35)Cl nuclear quadrupole resonance (NQR) frequency, temperature and pressure variation of spin lattice relaxation time (T(1)) were investigated in 3,4-dichlorophenol. T(1) was measured in the temperature range 77-300 K. Furthermore, the NQR frequency and T(1) for these compounds were measured as a function of pressure up to 5 kbar at 300 K. The temperature dependence of the average torsional lifetimes of the molecules and the transition probabilities W(1) and W(2) for the Δm = ±1 and Δm = ±2 transitions were also obtained. A nonlinear variation of NQR frequency with pressure has been observed and the pressure coefficients were observed to be positive. A thermodynamic analysis of the data was carried out to determine the constant volume temperature coefficients of the NQR frequency. An attempt is made to compare the torsional frequencies evaluated from NQR data with those obtained by IR spectra. On selecting the appropriate mode from IR spectra, a good agreement with torsional frequency obtained from NQR data is observed. The previously mentioned approach is a good illustration of the supplementary nature of the data from IR studies, in relation to NQR studies of compounds in solid state.

  16. Roles of the sodium-translocating NADH:quinone oxidoreductase (Na+-NQR) on vibrio cholerae metabolism, motility and osmotic stress resistance.

    Science.gov (United States)

    Minato, Yusuke; Fassio, Sara R; Kirkwood, Jay S; Halang, Petra; Quinn, Matthew J; Faulkner, Wyatt J; Aagesen, Alisha M; Steuber, Julia; Stevens, Jan F; Häse, Claudia C

    2014-01-01

    The Na+ translocating NADH:quinone oxidoreductase (Na+-NQR) is a unique respiratory enzyme catalyzing the electron transfer from NADH to quinone coupled with the translocation of sodium ions across the membrane. Typically, Vibrio spp., including Vibrio cholerae, have this enzyme but lack the proton-pumping NADH:ubiquinone oxidoreductase (Complex I). Thus, Na+-NQR should significantly contribute to multiple aspects of V. cholerae physiology; however, no detailed characterization of this aspect has been reported so far. In this study, we broadly investigated the effects of loss of Na+-NQR on V. cholerae physiology by using Phenotype Microarray (Biolog), transcriptome and metabolomics analyses. We found that the V. cholerae ΔnqrA-F mutant showed multiple defects in metabolism detected by Phenotype Microarray. Transcriptome analysis revealed that the V. cholerae ΔnqrA-F mutant up-regulates 31 genes and down-regulates 55 genes in both early and mid-growth phases. The most up-regulated genes included the cadA and cadB genes, encoding a lysine decarboxylase and a lysine/cadaverine antiporter, respectively. Increased CadAB activity was further suggested by the metabolomics analysis. The down-regulated genes include sialic acid catabolism genes. Metabolomic analysis also suggested increased reductive pathway of TCA cycle and decreased purine metabolism in the V. cholerae ΔnqrA-F mutant. Lack of Na+-NQR did not affect any of the Na+ pumping-related phenotypes of V. cholerae suggesting that other secondary Na+ pump(s) can compensate for Na+ pumping activity of Na+-NQR. Overall, our study provides important insights into the contribution of Na+-NQR to V. cholerae physiology.

  17. Roles of the sodium-translocating NADH:quinone oxidoreductase (Na+-NQR on vibrio cholerae metabolism, motility and osmotic stress resistance.

    Directory of Open Access Journals (Sweden)

    Yusuke Minato

    Full Text Available The Na+ translocating NADH:quinone oxidoreductase (Na+-NQR is a unique respiratory enzyme catalyzing the electron transfer from NADH to quinone coupled with the translocation of sodium ions across the membrane. Typically, Vibrio spp., including Vibrio cholerae, have this enzyme but lack the proton-pumping NADH:ubiquinone oxidoreductase (Complex I. Thus, Na+-NQR should significantly contribute to multiple aspects of V. cholerae physiology; however, no detailed characterization of this aspect has been reported so far. In this study, we broadly investigated the effects of loss of Na+-NQR on V. cholerae physiology by using Phenotype Microarray (Biolog, transcriptome and metabolomics analyses. We found that the V. cholerae ΔnqrA-F mutant showed multiple defects in metabolism detected by Phenotype Microarray. Transcriptome analysis revealed that the V. cholerae ΔnqrA-F mutant up-regulates 31 genes and down-regulates 55 genes in both early and mid-growth phases. The most up-regulated genes included the cadA and cadB genes, encoding a lysine decarboxylase and a lysine/cadaverine antiporter, respectively. Increased CadAB activity was further suggested by the metabolomics analysis. The down-regulated genes include sialic acid catabolism genes. Metabolomic analysis also suggested increased reductive pathway of TCA cycle and decreased purine metabolism in the V. cholerae ΔnqrA-F mutant. Lack of Na+-NQR did not affect any of the Na+ pumping-related phenotypes of V. cholerae suggesting that other secondary Na+ pump(s can compensate for Na+ pumping activity of Na+-NQR. Overall, our study provides important insights into the contribution of Na+-NQR to V. cholerae physiology.

  18. Unconventional superconductivity in PuRhGa{sub 5}: Ga NMR/NQR study

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, H. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan)]. E-mail: sakai.hironori@jaea.go.jp; Tokunaga, Y. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Fujimoto, T. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Kambe, S. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Walstedt, R.E. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Yasuoka, H. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Aoki, D. [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Homma, Y. [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Yamamoto, E. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Nakamura, A. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Shiokawa, Y. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Nakajima, K. [Department of Nuclear Energy System, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Arai, Y. [Department of Nuclear Energy System, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Matsuda, T.D. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Haga, Y. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Onuki, Y. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan)

    2006-05-01

    {sup 69,71}Ga NMR/NQR studies have been performed on a single crystal of the transuranium superconductor PuRhGa{sub 5} with T{sub c}{approx}9K. The spin-lattice relaxation rate 1/T{sub 1} reveals that PuRhGa{sub 5} is an unconventional superconductor having an anisotropic superconducting gap. Moreover, Korringa behavior (1/T{sub 1}T=const.) is observed in the normal state below {approx}30K. This result suggests that the superconductivity sets in after the formation of a Fermi liquid state in this compound.

  19. NQR lineshape study of the local properties of disorder in solids

    CERN Document Server

    Song, S K; Noh, T H; Park, Y M; Jeon, I; Seo, Y M; Kang, K H

    2000-01-01

    Nuclear quadrupole resonance line spectra were analyzed in terms of the local structural order for a variety of inhomogeneities in solids. The application of the results of our analysis to a few different types of disorder selected from previous NQR studies helps give general insights for the understanding of the local properties of disorder in solids. The characteristics of the line spectra being specific to the molecular mixed solutions could be well understood by carrying out the spectral analyses in conjunction with the systematic classification of the local field inhomogeneity according to the structural isomorphism or heteromorphism

  20. The nuclear quadrupole moment mesured with Nuclear Quadrupole Resonance NQR : Principle and definition

    CERN Document Server

    Belfkir, Mohamed

    2016-01-01

    The nuclear quadruple moment is a fundamental character associated to the nuclei, this moment is related to the not purely spherical distribution in the nuclei, indeed its measure allows us to survey the geometric deformation of the nuclei of its spherical shape. The measurement methods of the quadruple moment is to study the electrical energy hyperfine interaction between the quadruple moment and the electric field gradient due to atomics electrons, one of the methods is the nuclear quadruple resonance NQR which is observed at the transitions between energy levels splits by the effect of the quadruple interaction and induced by a radio frequency field.

  1. Analysis of temperature dependence of {sup 35}Cl-NQR frequency in 2,4-D herbicide (2,4-dichlorophenoxy acetic acid); Analiza temperaturowej zaleznosci czestosci {sup 35}Cl-NQR w herbicydzie 2,4-D (kwas dichlorofenoksyoctowy)

    Energy Technology Data Exchange (ETDEWEB)

    Mazurek, P.; Ostafin, M.; Kasprzak, J.; Nogaj, B. [Inst. Fizyki, Uniwersytet A. Mickiewicza, Poznan (Poland)

    1994-12-31

    Biological activity of herbicide depends on electronic structure and molecule dynamics. The former parameter has been investigated by means of NQR spectra on {sup 35}Cl nuclei of 2,4-dichlorophenoxy acetic acid. The analysis of temperature dependency of observed frequency has been done. 12 refs, 3 figs, 1 tab.

  2. 93Nb- and 27Al-NMR/NQR studies of the praseodymium based PrNb2Al20

    Science.gov (United States)

    Kubo, Tetsuro; Kotegawa, Hisashi; Tou, Hideki; Higashinaka, Ryuji; Nakama, Akihiro; Aoki, Yuji; Sato, Hideyuki

    2015-03-01

    We report a study of 93Nb- and 27Al-nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) in a praseodymium based compound PrNb2Al20. The observed NMR line at around 3 T and 30 K shows a superposition of typical powder patterns of one Nb signal and at least two Al signals. 93Nb-NMR line could be reproduced by using the previously reported NQR frequency νQ ≊ 1.8MHz and asymmetry parameter η ≊ 0 [Kubo T et al 2014 JPS Conf. Proc. 3 012031]. From 27Al-NMR/NQR, NQR parameters are obtained to be νQ,A ≊ 1.53 MHz, and ηA ≊ 0.20 for the site A, and νQ,B ≊ 2.28 MHz, and ηB ≊ 0.17 for the site B. By comparing this result with the previous 27Al-NMR study of PrT2Al20 (T = Ti, V) [Tokunaga Y et al 2013 Phys. Rev. B 88 085124], these two Al site are assigned to the two of three crystallographycally inequivalent Al sites.

  3. Measurement of in-situ stress in salt and rock using NQR techniques

    Energy Technology Data Exchange (ETDEWEB)

    Schempp, E.; Hirschfeld, T.; Klainer, S.

    1980-12-01

    A discussion of how stress and strain affect the quantities which can be measured in an NQR experiment shows that, for stresses of the magnitude to be expected at depths up to about 10,000 feet, quadrupole coupling constants will fall in the range of 1 to 10 kHz for both the sodium and chloride ions in NaCl. The most promising system involves pulsed nuclear double resonance detection; and alterative is to observe the quadrupolar splitting of the NMR signal. Choices to be made in the measurement and mapping techniques are discussed. The well-known perturbation of the homogenous stress field in the neighborhood of a borehole is shown to be advantageous from the point of view of obtaining directional information on the stress. Construction and operation of a borehole stress sensor are considered. The NQR technique seems feasible for measuring the magnitude and direction of underground stress with a resolution of about 25 psi, or 2.5% at 1000 psi. Downhole instrumentation suitable for in-situ determinations of stress appears within the state of the art. Additional tasks required on the project are identified.

  4. Correlation between NQR parameters and residue size of aliphatic amino acids and their dimers.

    Science.gov (United States)

    Ghaderi, Ali Reza; Sabzyan, Hassan; Hadipour, Nasser L

    2006-03-01

    Nuclear quadrupole coupling constants (NQCC), chi, and asymmetry parameters, eta, of 2D, 14N and 17O nuclei have been calculated for aliphatic amino acids and their dimers using MP2/6-311++G** method to shed some light on the differences between the structural parameters in the aliphatic amino acids and their dimers. For this purpose, electric field gradient (EFG) at the sites of quadrupolar nuclei have been calculated and evaluated for each compound. A correlation is observed between the calculated NQCC parameters and the conformational structures of the compounds, showing that extraction of structural data from the NQR spectra might be promising. Our results showed that 17O NQCC of terminal carboxylic acid and 14N NQCC of the terminal amino groups are, respectively, the least and the most sensitive parameters to the variation of the size of the residue. It is found also that conformation of R (i.e. values of the dihedral angles) plays a very effective role in the determination of the values of the calculated NQCC parameters. Sensitivity of the NQR parameters to the changes in the conformational structure is significantly greater (nearly 20-fold) than that to the changes in the other structural parameters such as bond lengths.

  5. Pseudogap Behavior in Fully Filled Skutterudite YbFe4Sb12 Detected by Sb NQR

    Science.gov (United States)

    Magishi, Ko-ichi; Watanabe, Ryo; Hisada, Akihiko; Saito, Takahito; Koyama, Kuniyuki; Saito, Takashi; Higashinaka, Ryuji; Aoki, Yuji; Sato, Hideyuki

    2014-08-01

    We report the results of 121,123Sb-nuclear quadrupole resonance (NQR) measurements on the fully filled skutterudite YbFe4Sb12 synthesized under high pressure, and compare them with those for an Yb-deficient sample synthesized under ambient pressure in order to elucidate the intrinsic behavior and the effects of the Yb-site filling fraction on magnetic properties. The NQR spectra for the fully filled sample remain narrow down to 1.5 K, indicating no sign of a phase transition, in contrast to the results of the Yb-deficient sample. The nuclear spin-lattice relaxation rate divided by temperature, 1/T1T, is composed of two terms as 1/T1T = (1/T1T)χ + (1/T1T)PG. The first term (1/T1T)χ is scaled to the magnetic susceptibility, which is similar to the behavior of nearly ferromagnetic metals. The pseudogap behavior, related to the second term (1/T1T)PG, is consistent with the optical conductivity measurements, and is a characteristic of the filled skutterudites with a divalent filler ion.

  6. Zero-field NMR and NQR measurements of the antiferromagnet URhIn5

    Science.gov (United States)

    Sakai, H.; Kambe, S.; Tokunaga, Y.; Matsumoto, Y.; Tateiwa, N.; Haga, Y.; Fisk, Z.

    2013-07-01

    The antiferromagnet URhIn5 with the Néel temperature TN=98 K has been investigated by nuclear magnetic/quadrupole resonance (NMR/NQR). 115In-NQR spectra in the paramagnetic state give the respective electrical field gradient parameters for the locally tetragonal and orthorhombic In(1) and In(2) sites. In the antiferromagnetic state at 4.5 K, 115In-NMR spectra in the zero external field indicate a commensurate antiferromagnetic structure. The internal field at In(1) sites is found to be zero and that at In(2) sites is 21.1 kOe at 4.5 K. The temperature (T) dependence of the nuclear relaxation rates 1/T1 in the paramagnetic state shows a distinct site dependence: Korringa-type constant (T1T)-1 behavior below ˜150 K for In(1) sites and a divergent behavior of 1/T1 toward TN for In(2). The plausible antiferromagnetic structure is discussed based on these observations.

  7. Ru-NQR Study for Novel Phase Transition in CeRu2Al10

    Science.gov (United States)

    Matsumura, Masahiro; Tomita, Naoya; Matsuoka, Junichirou; Kishimoto, Yasuki; Kato, Harukazu; Kitagawa, Kentaro; Nishioka, Takashi; Tanida, Hiroshi; Sera, Masafumi

    2014-10-01

    We have performed Ru-NQR measurements on CeRu2Al10 exhibiting novel phase transition at an abnormally high temperature T0 = 27.3 K and on NdRu2Al10 with a magnetic transition temperature Tm = 2.4 K as a reference RKKY system. The splitting of the NQR line due to internal fields below T0 shows a mean-field-like monotonic increase, indicating no change in the magnetic structure below T0. The internal field strength is one order larger than those at Al sites in CeRu2Al10, and is comparable to that at the Ru site in NdRu2Al10 despite the sevenfold smaller magnitude of the 4f moment, being indicative of an enhanced conduction electron polarization at the Ru site. One of the causes of the high T0 might be the enhanced exchange coupling through the Ce-Ru-Ce path mediated by the enhanced conduction electron polarization. Being similar to that in the Al site, the nuclear spin-lattice relaxation rate 1/T1 shows a gap-like decrease below T0 without enhancement owing to a critical slowing down at T0, in contrast to the mean field 2nd-order transition.

  8. Application Of Density Matrix Methods To Quadrupolar Spins In Solid State Nmr And Nqr

    CERN Document Server

    Ageev, S Z

    1997-01-01

    Spin dynamics in solid state NMR and NQR are studied using spin density matrix theory. First, the response of spin 7/2 subject to the first order quadrupolar interaction, excited by one and two pulse sequences is examined. Specific pulse sequences with appropriate phase cycling designed for detection of MQ coherences developed during the first pulse are calculated analytically. The results are applied to the determination of quadrupolar parameters and true chemical shifts utilizing a 1D nutation experiment. Solomon echoes under soft pulse excitation are also considered for spin 7/2. Second, analytical solutions of off-resonance nutation line intensities for spin 3/2 are presented. The first order quadrupolar interaction is retained during the pulse. The third case puts forward a new theory of composite pulses in NQR. Shaped pulses are also considered. The calculation is valid for a non-zero asymmetry parameter and arbitrary orientation of the rf field. The results are generalized for half integer spins of mag...

  9. TNT detection with 14N NQR: multipulse sequences and matched filter.

    Science.gov (United States)

    Gregorovic, Alan; Apih, Tomaz

    2009-06-01

    Nuclear quadrupole resonance (NQR) has a distinct potential to verify the presence of nitrogen bearing substances based on the unequivocal signatures of their spectra. Therefore, this technique is especially suitable for remote detection of illicit substances and explosives. Unfortunately, the inherent signal-to-noise of the most abundant explosive trinitrotoluene (TNT) is very low. Here we present an NQR method with improved sensitivity for estimation of the probability of TNT presence in the investigated object. The method consists of a spin-lock spin-echo (SLSE) multipulse sequence for signal excitation and a time domain matched filter for signal detection. We find that the signal-to-noise increases by shortening the pulse spacings, even though this means a decrease in spectral resolution. In our case, the decrease of the pulse spacings from the typical 2 ms to 540 micros resulted in an increase of the signal-to-noise by 14 dB. A theory describing this enhancement is presented and compared to experimental results on TNT. Issues related to temperature and polymorphism variations are also discussed.

  10. A mutation in Na(+)-NQR uncouples electron flow from Na(+) translocation in the presence of K(+).

    Science.gov (United States)

    Shea, Michael E; Mezic, Katherine G; Juárez, Oscar; Barquera, Blanca

    2015-01-20

    The sodium-pumping NADH:ubiquinone oxidoreductase (Na(+)-NQR) is a bacterial respiratory enzyme that obtains energy from the redox reaction between NADH and ubiquinone and uses this energy to create an electrochemical Na(+) gradient across the cell membrane. A number of acidic residues in transmembrane helices have been shown to be important for Na(+) translocation. One of these, Asp-397 in the NqrB subunit, is a key residue for Na(+) uptake and binding. In this study, we show that when this residue is replaced with asparagine, the enzyme acquires a new sensitivity to K(+); in the mutant, K(+) both activates the redox reaction and uncouples it from the ion translocation reaction. In the wild-type enzyme, Na(+) (or Li(+)) accelerates turnover while K(+) alone does not activate. In the NqrB-D397N mutant, K(+) accelerates the same internal electron transfer step (2Fe-2S → FMNC) that is accelerated by Na(+). This is the same step that is inhibited in mutants in which Na(+) uptake is blocked. NqrB-D397N is able to translocate Na(+) and Li(+), but when K(+) is introduced, no ion translocation is observed, regardless of whether Na(+) or Li(+) is present. Thus, this mutant, when it turns over in the presence of K(+), is the first, and currently the only, example of an uncoupled Na(+)-NQR. The fact the redox reaction and ion pumping become decoupled from each other only in the presence of K(+) provides a switch that promises to be a useful experimental tool.

  11. {sup 105}Pd NQR study on NpPd{sub 5}Al{sub 2} and CePd{sub 5}Al{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Chudo, H; Sakai, H; Tokunaga, Y; Kambe, S; Haga, Y; Matsuda, T D; Yasuoka, H [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai-mura, Ibaraki, 319-1195 (Japan); Aoki, D; Homma, Y [Institute for Material Research, Tohoku University, Oarai, Ibaraki, 311-1313 (Japan); Nakano, Y; Honda, F; Settai, R [Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043 (Japan); Onuki, Y, E-mail: chudo.hiroyuki@jaea.go.j

    2010-01-15

    We report the results of {sup 105}Pd NQR experiments on NpPd{sub 5}Al{sub 2} and CePd{sub 5}Al{sub 2}. In the normal state at 6 K, the {sup 105}Pd NQR spectrum consists of four lines in both systems. These lines can be assigned to two sets of {+-}1/2 {r_reversible} {+-}3/2 and {+-}3/2 {r_reversible} {+-}5/2 NQR transitions arising from two crystallographically inequivalent Pd sites. From the analysis of the {sup 105}Pd NQR spectrum the nuclear quadrupole frequency {nu}{sub Q}, asymmetry parameter {eta} and electric field gradient V{sub zz} have been deduced.

  12. The SAGE spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Pakarinen, J.; Papadakis, P. [University of Liverpool, Department of Physics, Oliver Lodge Laboratory, Liverpool (United Kingdom); University of Jyvaeskylae, Department of Physics, Jyvaeskylae (Finland); Sorri, J.; Greenlees, P.T.; Jones, P.; Julin, R.; Konki, J.; Rahkila, P.; Sandzelius, M. [University of Jyvaeskylae, Department of Physics, Jyvaeskylae (Finland); Herzberg, R.D.; Butler, P.A.; Cox, D.M.; Cresswell, J.R.; Mistry, A.; Page, R.D.; Parr, E.; Sampson, J.; Seddon, D.A.; Thornhill, J.; Wells, D. [University of Liverpool, Department of Physics, Oliver Lodge Laboratory, Liverpool (United Kingdom); Coleman-Smith, P.J.; Lazarus, I.H.; Letts, S.C.; Pucknell, V.F.E.; Simpson, J. [STFC Daresbury Laboratory, Warrington (United Kingdom)

    2014-03-15

    The SAGE spectrometer has been constructed for in-beam nuclear structure studies. SAGE combines a Ge-detector array and an electron spectrometer for detection of γ-rays and internal conversion electrons, respectively, and allows simultaneous observation of both electrons and γ-rays emitted from excited nuclei. SAGE is set up in the Accelerator Laboratory of the University of Jyvaeskylae and works in conjunction with the RITU gas-filled recoil separator and the GREAT focal-plane spectrometer allowing the use of the recoil-decay tagging method. (orig.)

  13. Improved Mass Spectrometer Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Improved Mass Spectrometer project will develop system requirements and analyze the path to space qualification.   The results of this project...

  14. Fourier Transform Spectrometer System

    Science.gov (United States)

    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.

  15. An electronically tuned wideband probehead for NQR spectroscopy in the VHF range

    Science.gov (United States)

    Scharfetter, Hermann

    2016-10-01

    Nuclear quadrupole resonance spectroscopy is an analytical method which allows to characterize materials which contain quadrupolar nuclei, i.e. nuclei with spin ⩾1. The measurement technology is similar to that of NMR except that no static magnetic field is necessary. In contrast to NMR, however, it is frequently necessary to scan spectra with a very large bandwidth with a span of several tens of % of the central frequency so as to localize unknown peaks. Standard NMR probeheads which are typically constructed as resonators must be tuned and matched to comparatively narrow bands and must thus be re-tuned and re-matched very frequently when scanning over a whole NQR spectrum. At low frequencies up to few MHz dedicated circuits without the need for tuning and matching have been developed, but many quadrupole nuclei have transitions in the VHF range between several tens of MHz up to several hundreds of MHz. Currently available commercial NQR probeheads employ stepper motors for setting mechanically tuneable capacitors in standard NMR resonators. These yield high quality factors (Q) and thus high SNR but are relatively large and clumsy and do not allow for fast frequency sweeps. This article presents a new concept for a NQR probehead which combines a previously published no-tune no-match wideband concept for the transmit (TX) pulse with an electronically tuneable receive (RX) part employing varactor diodes. The prototype coil provides a TX frequency range of 57 MHz with a center frequency of 97.5 MHz with a return loss of ⩽-15 dB. During RX the resonator is tuned and matched automatically to the right frequency via control voltages which are read out from a previously generated lookup table, thus providing high SNR. The control voltages which bias the varactors settle very fast and allow for hopping to the next frequency point in the spectrum within less than 100 μs. Experiments with a test sample of ZnBr2 proved the feasibility of the method.

  16. Three-dimensional high-inductance birdcage coil for NQR applications.

    Science.gov (United States)

    Peshkovsky, A S; Cerioni, L; Osan, T M; Avdievich, N I; Pusiol, D J

    2006-09-01

    A birdcage coil capable of operating simultaneously and independently in three orthogonal dimensions has been developed. A co-rotational end-ring mode producing an RF field in the longitudinal direction was utilized in addition to the two common transverse orthogonal modes. Two conductor turns were used for each of the coil's windows, increasing its inductance by a factor of four, thereby, making the coil suitable for low-frequency applications. Two or three-frequency detection can be easily carried out with this device. Orthogonality of the coil's channels allows arbitrarily close frequency positioning of each resonant mode, potentially useful in wide-line NQR studies, in which simultaneous excitation/detection of signals from three adjacent regions of a single wide line can be performed. The coil's performance was evaluated using a three-dimensional scheme, in which a circularly polarized experiment was combined with a linearly polarized measurement at another frequency, resulting in SNR improvement by 55%.

  17. A new dedicated {beta}-NMR/{beta}-NQR setup for LISE-GANIL

    Energy Technology Data Exchange (ETDEWEB)

    De Rydt, M., E-mail: marieke.derydt@fys.kuleuven.b [Instituut voor Kern- en Stralingsfysica, K.U. Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Lozeva, R.; Vermeulen, N. [Instituut voor Kern- en Stralingsfysica, K.U. Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Oliveira Santos, F. de; Grevy, S. [Grand Accelerateur National d' Ions Lourds (GANIL), CEA/DSM-CNRS/IN2P3, B.P. 55027, F-14076 Caen Cedex 5 (France); Himpe, P. [Instituut voor Kern- en Stralingsfysica, K.U. Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Stoedel, C.; Thomas, J.C. [Grand Accelerateur National d' Ions Lourds (GANIL), CEA/DSM-CNRS/IN2P3, B.P. 55027, F-14076 Caen Cedex 5 (France); Vingerhoets, P.; Neyens, G. [Instituut voor Kern- en Stralingsfysica, K.U. Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium)

    2009-12-21

    A new {beta}-NMR/{beta}-NQR setup is developed to study nuclear magnetic dipole moments and electric quadrupole moments at the LISE fragment separator at GANIL. Two key elements make the new design very powerful: the homogeneous magnet and the strong radio-frequency amplifier. The combination of both makes it possible to examine a broad spectrum of magnetic dipole and electric quadrupole moments. Several factors have an influence on the detection efficiency and on the sensitivity of the setup to observe a resonant change in the {beta}-asymmetry: the thickness and the tilting angle of the implantation crystal, the material in the vacuum chamber, the applied magnetic field and the Q{sub b}eta-value of the decaying nuclei. A detailed study of these effects is made using a dedicated GEANT4 Monte Carlo simulation code.

  18. Ionic Model of Some Aspects of Cu NQR Spectra in Superconducting Oxides

    Science.gov (United States)

    Shimizu, Tadashi

    1993-02-01

    We apply an ionic model to explain the pressure and the temperature dependences of copper nuclear quadrupole frequency νQ in superconducting oxides. The pressure and the temperature dependences of νQ can, for the most part, be explained only by the change in the lattice spacing. It has also been shown that the origin of large difference in the 63Cu NQR line width between crystallographically different copper sites in YBa2Cu3O6.5 can be explained in the same model. The result of the present study suggests that the Sternheimer antishielding factor γ∞ is certainly effective in the case of ionic model, although a negligibly small value has been argued from viewpoint of the band calculation.

  19. A micromachined mass spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Petzold, G.; Siebert, P.; Mueller, J. [Technische Univ. Hamburg-Harburg, Hamburg (Germany). Dept. of Microsystemtechnology

    2001-07-01

    This paper presents the concept, the processing and the simulated and measured characteristics of a miniaturised mass spectrometer, with dimensions of approximately only a few cm{sup 3}. The mass spectrometer consists of three main parts to be manufactured by micro structuring: an electron source, an ionisation chamber including accelerating and focusing units and a mass analyser with detector. Its fabrication is based on techniques used in micro-system processing and in particular anisotropic etching, thin film deposition, electroplating, and anodic bonding. The aim of the concept for this micro mass spectrometer is not only to scale down a macroscopic system but it also takes advantage of the added features of a micro system, i.e. a high Knudsen number of about 3 at a pressure of a few Pascal, and high field strengths at a relatively low voltage. Therefore, the demands on the vacuum systems and the electrical circuits are much more simple compared to a macroscopic mass spectrometer. In the presented design of the micro mass spectrometer the resolution is in the range of 10 to 20 at a sensitivity of several tens of ppm. (orig.)

  20. Fermi FT2 Spacecraft Pointing Files

    Data.gov (United States)

    National Aeronautics and Space Administration — This utility permits you to download the most current version of the spacecraft (FT2) file predicting the LAT's pointing for a given mission week. The FT2 file is a...

  1. First-principles study of {sup 75}As NQR in arsenic-chalcogenide compounds

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, Arthur H [Air Force Research Laboratory, AFRL/RVSE, Kirtland AFB, NM 87117-5776 (United States); Taylor, P C [Department of Physics, Colorado School of Mines, Golden, CO 80401 (United States); Campbell, Kristy A [Department of Electrical and Computer Engineering, Boise State University, Boise, ID 83725 (United States); Pineda, Andrew C [Department of Electrical and Computer Engineering, University of New Mexico, Albuquerque, NM 87131-0001 (United States)

    2011-02-09

    We present a theoretical study of the nuclear quadrupole interaction, {nu}{sub Q}, of {sup 75}As in crystalline and amorphous materials containing sulfur and selenium, and compare them with experiment. We studied a combination of hydrogen-terminated molecular clusters and periodic cells at various levels of quantum chemical theory. The results show clearly that the standard density functional theory (DFT) approximations, LDA and GGA, underestimate the nuclear quadrupole (NQR) interaction systematically, while Hartree-Fock theory overestimates it to an even greater degree. However, various levels of configuration interaction and the B3LYP hybrid exchange-correlation functional, which includes some exact exchange, give very good quantitative agreement for As bonded only to the chalcogen species. As-As bonds require highly converged basis sets. We have performed a systematic study of the effect of local distortions around an arsenic atom on {nu}{sub Q} and {eta}. Using a simple, semiclassical model, we have combined our total energy results with our NQR calculations to predict {nu}{sub Q} lineshapes for bond angle and bond length distortions. Our predictions for lineshape, including first and second moments, are in excellent agreement with the results of Su et al for a-As{sub 2}S{sub 3}, a-As{sub 2}Se{sub 3} and a-AsSe. We offer new insight into the distortions that led to this inhomogeneous broadening. Our results show clearly that, for trivalent arsenic atoms with zero or one arsenic nearest neighbor, symmetric bond stretching is the predominant contributor to the {nu}{sub Q} linewidth. However, in the presence of two arsenic nearest neighbors, distortions of the As-As-As apex angle dominates and, in fact, leads to a much larger second moment, in agreement with experiment.

  2. First-principles study of (75)As NQR in arsenic-chalcogenide compounds.

    Science.gov (United States)

    Edwards, Arthur H; Taylor, P C; Campbell, Kristy A; Pineda, Andrew C

    2011-02-09

    We present a theoretical study of the nuclear quadrupole interaction, ν(Q), of (75)As in crystalline and amorphous materials containing sulfur and selenium, and compare them with experiment. We studied a combination of hydrogen-terminated molecular clusters and periodic cells at various levels of quantum chemical theory. The results show clearly that the standard density functional theory (DFT) approximations, LDA and GGA, underestimate the nuclear quadrupole (NQR) interaction systematically, while Hartree-Fock theory overestimates it to an even greater degree. However, various levels of configuration interaction and the B3LYP hybrid exchange-correlation functional, which includes some exact exchange, give very good quantitative agreement for As bonded only to the chalcogen species. As-As bonds require highly converged basis sets. We have performed a systematic study of the effect of local distortions around an arsenic atom on ν(Q) and η. Using a simple, semiclassical model, we have combined our total energy results with our NQR calculations to predict ν(Q) lineshapes for bond angle and bond length distortions. Our predictions for lineshape, including first and second moments, are in excellent agreement with the results of Su et al for a-As(2)S(3), a-As(2)Se(3) and a-AsSe. We offer new insight into the distortions that led to this inhomogeneous broadening. Our results show clearly that, for trivalent arsenic atoms with zero or one arsenic nearest neighbor, symmetric bond stretching is the predominant contributor to the ν(Q) linewidth. However, in the presence of two arsenic nearest neighbors, distortions of the As-As-As apex angle dominates and, in fact, leads to a much larger second moment, in agreement with experiment.

  3. Zero-field NMR and NQR studies of magnetically ordered state in charge-ordered EuPtP

    Science.gov (United States)

    Koyama, T.; Maruyama, T.; Ueda, K.; Mito, T.; Mitsuda, A.; Umeda, M.; Sugishima, M.; Wada, H.

    2015-03-01

    EuPtP undergoes two valence transitions and has two kinds of valence states of Eu ions at low temperatures. In the charge-ordered state, this compound shows an antiferromagnetic order ascribed to magnetic divalent Eu ions. We investigated the antiferromagnetically ordered state of EuPtP by nuclear magnetic resonance (NMR) measurement and nuclear quadrupole resonance (NQR) measurement in a zero external magnetic field. The observed 153Eu NMR signals of a magnetic divalent state and Eu,153151 NQR signals of a nonmagnetic trivalent state clearly demonstrate that the spins order in the hexagonal basal plane and the internal magnetic field is not canceled out, even at the Eu3 + layers which are in the middle of magnetic Eu2 + layers. In addition, the observation of 31P and 195Pt NMR spectra allowed us to discuss a possible magnetic structure. We also evaluated the nuclear quadrupole frequencies for both Eu2 + and Eu3 + ion states.

  4. Electronic structure and biological activity of chosen DDT-type insecticides studied by 35Cl-NQR.

    Science.gov (United States)

    Jadzyn, Maciej; Nogaj, Bolesław

    2009-02-01

    A correlation between the electronic structure and biological activity of chosen dichlorodiphenyltrichloroethane (DDT)-type insecticides: 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane, 1,1-dichloro-2,2-bis(4-chlorophenyl)ethane, 2,2-bis(p-chlorophenyl)-1,1-dichloroethylene, 2,2-bis(4-chlorophenyl)ethanoic acid and 4,4'-dichlorobenzophenone (used in agriculture) has been analysed on the basis of the (35)Cl-nuclear quadrupole resonance (NQR) spectroscopy. The (35)Cl-NQR resonance frequencies measured at 77 K have been correlated with the lethal dose (LD(50)) parameter that characterises the biological activity of these insecticides.

  5. Dependence of (35)Cl NQR on hydrogen bonding and temperature in dichlorophenol-aniline charge transfer complexes.

    Science.gov (United States)

    Ramananda, D; Ramesh, K P; Uchil, J

    2007-10-01

    The hydrogen-bonded charge transfer complexes of aniline with pi-acceptors (or proton donors) such as 2,5-, 2,6-, 3,4- and 3,5-dichlorophenol were prepared. The (35)Cl nuclear quadrupole resonance (NQR) frequencies of these charge transfer complexes in the temperature range 77-300 K were measured to ascertain the existence or otherwise of a phase transition upon complex formation. Further, the NQR frequency and asymmetry parameter of the electric field gradient at the site of quadrupole nucleus were used to estimate the chemical bond parameters, namely ionic bond, double bond character of the carbon-chlorine(C--Cl) bond and the percentage charge transfer between the donor-acceptor components in charge transfer complexes. The effect of hydrogen bonding and temperature on the charge transfer process is analysed.

  6. Sb NQR study of the filled skutterudite CeFe4Sb12 synthesized under high pressure

    Science.gov (United States)

    Magishi, Ko-ichi; Takahashi, Masahiro; Saito, Takahito; Koyama, Kuniyuki; Sugawara, Hitoshi; Saito, Takashi; Tatsuoka, Sho; Tanaka, Kenya; Sato, Hideyuki

    2013-08-01

    We report the results of Sb nuclear quadrupole resonance (NQR) measurements on the filled skutterudite CeFe4Sb12 synthesized under high pressure (HP) and compare them with those for the sample synthesized under ambient pressure (AP) to understand the influence of the Ce-site filling fraction. The NQR spectra for the HP sample are much sharper than those for the AP sample, suggesting that the Ce filling fraction is higher. Also, the nuclear spin-lattice relaxation rate 1/ T 1 follows an exponential decrease 1/ T 1 ∝ exp(-Δ/ k B T), with the gap being Δ/ k B = 270 K at temperatures above 100 K, which is larger than that for the AP sample. This result suggests that the c- f hybridization is enhanced by increasing the Ce-site filling fraction.

  7. 63Cu NQR evidence for spatial variation of hole concentration in La2-xSrxCuO4.

    Science.gov (United States)

    Singer, P M; Hunt, A W; Imai, T

    2002-01-28

    We report experimental evidence for the spatial variation of hole concentration x(hole) in the high T(c) superconductor La2-xSrxCuO4 ( 0.04 NQR using 63Cu isotope enriched samples. We demonstrate that the extent of the spatial variation of the local hole concentration Delta(x)hole is reflected on (63)1/T1 and deduce the temperature dependence. Delta(x)hole increases below 500-600 K, and reaches values as large as Delta(x)hole/x approximately 0.5 below approximately 150 K. We estimate the length scale of the spatial variation in x(hole) to be R(hole) greater, similar 3 nm from an analysis of the NQR spectrum.

  8. Anomalous H/D isotope effect on {sup 35}Cl NQR frequencies in piperidinium p-chlorobenzoate

    Energy Technology Data Exchange (ETDEWEB)

    Nakano, Ryo; Honda, Hisashi, E-mail: hhonda@yokohama-cu.ac.jp [Yokohama City University, Graduate School of Integrated Science (Japan); Kimura, Taiki [Yokohama City University, Faculty of Science (Japan); Nakata, Eiichi; Takamizawa, Satoshi; Noro, Sumiko [Yokohama City University, Graduate School of Integrated Science (Japan); Ishimaru, Shin' ichi [Tokyo Denki University, Department of Green and Sustainable Chemistry (Japan)

    2008-01-15

    Anomalous isotope effects were detected in the {sup 35}Cl nuclear quadrupole resonance (NQR) frequency of piperidinium p-chlrobenzoate (C{sub 5}H{sub 10}NH. ClC{sub 6}H{sub 4}COOH) by deuteration of hydrogen atoms. The atoms were determined to form two kinds of N-H...O type H-bonds in the crystal structure. Large frequency shifts of the {sup 35}Cl resonance lines reaching 288 kHz at 77 K and 278 kHz at room temperature were caused upon deuteration, in spite of the fact that the Cl atoms in the molecule do not form hydrogen bonds in the crystal. Results of single crystal X-ray diffraction measurements and density-functional-theorem calculations suggest that a dihedral-angle change of 1.8{sup o} between benzene and the piperidine ring contributes to {sup 35}Cl NQR anomalous frequency shifts.

  9. Compact Grism Spectrometer

    Science.gov (United States)

    Teare, S. W.

    2003-05-01

    Many observatories and instrument builders are retrofitting visible and near-infrared spectrometers into their existing imaging cameras. Camera designs that reimage the focal plane and have the optical filters located in a pseudo collimated beam are ideal candidates for the addition of a spectrometer. One device commonly used as the dispersing element for such spectrometers is a grism. The traditional grism is constructed from a prism that has had a diffraction grating applied on one surface. The objective of such a design is to use the prism wedge angle to select the desired "in-line" or "zero-deviation" wavelength that passes through on axis. The grating on the surface of the prism provides much of the dispersion for the spectrometer. A grism can also be used in a "constant-dispersion" design which provides an almost linear spatial scale across the spectrum. In this paper we provide an overview of the development of a grism spectrometer for use in a near infrared camera and demonstrate that a compact grism spectrometer can be developed on a very modest budget that can be afforded at almost any facility. The grism design was prototyped using visible light and then a final device was constructed which provides partial coverage in the near infrared I, J, H and K astronomical bands using the appropriate band pass filter for order sorting. The near infrared grism presented here provides a spectral resolution of about 650 and velocity resolution of about 450 km/s. The design of this grism relied on a computer code called Xspect, developed by the author, to determine the various critical parameters of the grism. This work was supported by a small equipment grant from NASA and administered by the AAS.

  10. Miniature high-performance infrared spectrometer for space applications

    Science.gov (United States)

    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.

  11. Role of the NAD(P)H quinone oxidoreductase NQR and the cytochrome b AIR12 in controlling superoxide generation at the plasma membrane.

    Science.gov (United States)

    Biniek, Catherine; Heyno, Eiri; Kruk, Jerzy; Sparla, Francesca; Trost, Paolo; Krieger-Liszkay, Anja

    2017-04-01

    The quinone reductase NQR and the b-type cytochrome AIR12 of the plasma membrane are important for the control of reactive oxygen species in the apoplast. AIR12 and NQR are two proteins attached to the plant plasma membrane which may be important for generating and controlling levels of reactive oxygen species in the apoplast. AIR12 (Auxin Induced in Root culture) is a single gene of Arabidopsis that codes for a mono-heme cytochrome b. The NADPH quinone oxidoreductase NQR is a two-electron-transferring flavoenzyme that contributes to the generation of O 2(•-) in isolated plasma membranes. A. thaliana double knockout plants of both NQR and AIR12 generated more O 2(•-) and germinated faster than the single mutant affected in AIR12. To test whether NQR and AIR12 are able to interact functionally, recombinant purified proteins were added to plasma membranes isolated from soybean hypocotyls. In vitro NADH-dependent O 2(•-) production at the plasma membrane in the presence of NQR was reduced upon addition of AIR12. Electron donation from semi-reduced menadione to AIR12 was shown to take place. Biochemical analysis showed that purified plasma membrane from soybean hypocotyls or roots contained phylloquinone and menaquinone-4 as redox carriers. This is the first report on the occurrence of menaquinone-4 in eukaryotic photosynthetic organisms. We propose that NQR and AIR12 interact via the quinone, allowing an electron transfer from cytosolic NAD(P)H to apoplastic monodehydroascorbate and control thereby the level of reactive oxygen production and the redox state of the apoplast.

  12. Structural and functional investigation of flavin binding center of the NqrC subunit of sodium-translocating NADH:quinone oxidoreductase from Vibrio harveyi.

    Directory of Open Access Journals (Sweden)

    Valentin Borshchevskiy

    Full Text Available Na+-translocating NADH:quinone oxidoreductase (NQR is a redox-driven sodium pump operating in the respiratory chain of various bacteria, including pathogenic species. The enzyme has a unique set of redox active prosthetic groups, which includes two covalently bound flavin mononucleotide (FMN residues attached to threonine residues in subunits NqrB and NqrC. The reason of FMN covalent bonding in the subunits has not been established yet. In the current work, binding of free FMN to the apo-form of NqrC from Vibrio harveyi was studied showing very low affinity of NqrC to FMN in the absence of its covalent bonding. To study structural aspects of flavin binding in NqrC, its holo-form was crystallized and its 3D structure was solved at 1.56 Å resolution. It was found that the isoalloxazine moiety of the FMN residue is buried in a hydrophobic cavity and that its pyrimidine ring is squeezed between hydrophobic amino acid residues while its benzene ring is extended from the protein surroundings. This structure of the flavin-binding pocket appears to provide flexibility of the benzene ring, which can help the FMN residue to take the bended conformation and thus to stabilize the one-electron reduced form of the prosthetic group. These properties may also lead to relatively weak noncovalent binding of the flavin. This fact along with periplasmic location of the FMN-binding domains in the vast majority of NqrC-like proteins may explain the necessity of the covalent bonding of this prosthetic group to prevent its loss to the external medium.

  13. Structural and functional investigation of flavin binding center of the NqrC subunit of sodium-translocating NADH:quinone oxidoreductase from Vibrio harveyi.

    Science.gov (United States)

    Borshchevskiy, Valentin; Round, Ekaterina; Bertsova, Yulia; Polovinkin, Vitaly; Gushchin, Ivan; Ishchenko, Andrii; Kovalev, Kirill; Mishin, Alexey; Kachalova, Galina; Popov, Alexander; Bogachev, Alexander; Gordeliy, Valentin

    2015-01-01

    Na+-translocating NADH:quinone oxidoreductase (NQR) is a redox-driven sodium pump operating in the respiratory chain of various bacteria, including pathogenic species. The enzyme has a unique set of redox active prosthetic groups, which includes two covalently bound flavin mononucleotide (FMN) residues attached to threonine residues in subunits NqrB and NqrC. The reason of FMN covalent bonding in the subunits has not been established yet. In the current work, binding of free FMN to the apo-form of NqrC from Vibrio harveyi was studied showing very low affinity of NqrC to FMN in the absence of its covalent bonding. To study structural aspects of flavin binding in NqrC, its holo-form was crystallized and its 3D structure was solved at 1.56 Å resolution. It was found that the isoalloxazine moiety of the FMN residue is buried in a hydrophobic cavity and that its pyrimidine ring is squeezed between hydrophobic amino acid residues while its benzene ring is extended from the protein surroundings. This structure of the flavin-binding pocket appears to provide flexibility of the benzene ring, which can help the FMN residue to take the bended conformation and thus to stabilize the one-electron reduced form of the prosthetic group. These properties may also lead to relatively weak noncovalent binding of the flavin. This fact along with periplasmic location of the FMN-binding domains in the vast majority of NqrC-like proteins may explain the necessity of the covalent bonding of this prosthetic group to prevent its loss to the external medium.

  14. The GRIFFIN spectrometer

    Science.gov (United States)

    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.

  15. Miniaturised TOF mass spectrometer

    Science.gov (United States)

    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.

  16. Solid-state NMR/NQR and first-principles study of two niobium halide cluster compounds.

    Science.gov (United States)

    Perić, Berislav; Gautier, Régis; Pickard, Chris J; Bosiočić, Marko; Grbić, Mihael S; Požek, Miroslav

    2014-01-01

    Two hexanuclear niobium halide cluster compounds with a [Nb6X12](2+) (X=Cl, Br) diamagnetic cluster core, have been studied by a combination of experimental solid-state NMR/NQR techniques and PAW/GIPAW calculations. For niobium sites the NMR parameters were determined by using variable Bo field static broadband NMR measurements and additional NQR measurements. It was found that they possess large positive chemical shifts, contrary to majority of niobium compounds studied so far by solid-state NMR, but in accordance with chemical shifts of (95)Mo nuclei in structurally related compounds containing [Mo6Br8](4+) cluster cores. Experimentally determined δiso((93)Nb) values are in the range from 2,400 to 3,000 ppm. A detailed analysis of geometrical relations between computed electric field gradient (EFG) and chemical shift (CS) tensors with respect to structural features of cluster units was carried out. These tensors on niobium sites are almost axially symmetric with parallel orientation of the largest EFG and the smallest CS principal axes (Vzz and δ33) coinciding with the molecular four-fold axis of the [Nb6X12](2+) unit. Bridging halogen sites are characterized by large asymmetry of EFG and CS tensors, the largest EFG principal axis (Vzz) is perpendicular to the X-Nb bonds, while intermediate EFG principal axis (Vyy) and the largest CS principal axis (δ11) are oriented in the radial direction with respect to the center of the cluster unit. For more symmetrical bromide compound the PAW predictions for EFG parameters are in better correspondence with the NMR/NQR measurements than in the less symmetrical chlorine compound. Theoretically predicted NMR parameters of bridging halogen sites were checked by (79/81)Br NQR and (35)Cl solid-state NMR measurements.

  17. New ultrarapid-scanning interferometer for FT-IR spectroscopy with microsecond time-resolution

    Science.gov (United States)

    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.

  18. Possibility of valence-fluctuatsion-mediated superconductivity in Cd-doped CeIrIn(5) probed by In NQR.

    Science.gov (United States)

    Yashima, M; Tagami, N; Taniguchi, S; Unemori, T; Uematsu, K; Mukuda, H; Kitaoka, Y; Ota, Y; Honda, F; Settai, R; Onuki, Y

    2012-09-14

    We report on a pressure-induced evolution of exotic superconductivity and spin correlations in CeIr(In(1-x)Cd(x))(5) by means of in-nuclear-quadrupole-resonance (NQR) studies. Measurements of an NQR spectrum and nuclear-spin-lattice-relaxation rate 1/T(1) have revealed that antiferromagnetism induced by Cd doping emerges locally around Cd dopants, but superconductivity is suddenly induced at T(c)=0.7 and 0.9 K at 2.34 and 2.75 GPa, respectively. The unique superconducting characteristics with a large fraction of the residual density of state at the Fermi level which increases with T(c) differ from those for anisotropic superconductivity mediated by antiferromagnetic correlations. By incorporating the pressure dependence of the NQR frequency pointing to the valence change of Ce, we suggest that unconventional superconductivity in the CeIr(In(1-x)Cd(x))(5) system may be mediated by valence fluctuations.

  19. Ab initio DFT study of bisphosphonate derivatives as a drug for inhibition of cancer: NMR and NQR parameters.

    Science.gov (United States)

    Aghabozorg, Hussein; Sohrabi, Beheshteh; Mashkouri, Sara; Aghabozorg, Hamid Reza

    2012-03-01

    DFT computations were carried out to characterize the (17)Oand (2)H electric field gradient, EFG, in various bisphosphonate derivatives. The computations were performed at the B3LYP level with 6-311++G (d,P) standard basis set. Calculated EFG tensors were used to determine the (17)O and (2)H nuclear quadrupole coupling constant, χ and asymmetry parameter, η. For better understanding of the bonding and electronic structure of bisphosphonates, isotropic and anisotropic NMR chemical shieldings were calculated for the (13)C, (17)O and (31)P nuclei using GIAO method for the optimized structure of intermediate bisphosphonates at B3LYP level of theory using 6-311++G (d, p) basis set. The results showed that various substituents have a strong effect on the nuclear quadrupole resonance (NQR) parameters (χ, η) of (17)O in contrast with (2)H NQR parameters. The NMR and NQR parameters were studied in order to find the correlation between electronic structure and the activity of the desired bisphosphonates. In addition, the effect of substitutions on the bisphosphonates polarity was investigated. Molecular polarity was determined via the DFT calculated dipole moment vectors and the results showed that substitution of bromine atom on the ring would increase the activity of bisphosphonates.

  20. SWiFT Software Quality Assurance Plan.

    Energy Technology Data Exchange (ETDEWEB)

    Berg, Jonathan Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-01-01

    This document describes the software development practice areas and processes which contribute to the ability of SWiFT software developers to provide quality software. These processes are designed to satisfy the requirements set forth by the Sandia Software Quality Assurance Program (SSQAP). APPROVALS SWiFT Software Quality Assurance Plan (SAND2016-0765) approved by: Department Manager SWiFT Site Lead Dave Minster (6121) Date Jonathan White (6121) Date SWiFT Controls Engineer Jonathan Berg (6121) Date CHANGE HISTORY Issue Date Originator(s) Description A 2016/01/27 Jon Berg (06121) Initial release of the SWiFT Software Quality Assurance Plan

  1. The Omega spectrometer

    CERN Multimedia

    1972-01-01

    The Omega spectrometer which came into action during the year. An array of optical spark chambers can be seen withdrawn from the magnet aperture. In the 'igloo' above the magnet is located the Plumbicon camera system which collects information from the spark chambers.

  2. Speckle-based spectrometer

    DEFF Research Database (Denmark)

    Chakrabarti, Maumita; Jakobsen, Michael Linde; Hanson, Steen Grüner

    2015-01-01

    A novel spectrometer concept is analyzed and experimentally verified. The method relies on probing the speckle displacement due to a change in the incident wavelength. A rough surface is illuminated at an oblique angle, and the peak position of the covariance between the speckle patterns observed...

  3. Vacuum Ultraviolet Photodissociation and Fourier Transform-Ion Cyclotron Resonance (FT-ICR) Mass Spectrometry: Revisited.

    Science.gov (United States)

    Shaw, Jared B; Robinson, Errol W; Paša-Tolić, Ljiljana

    2016-03-15

    We revisited the implementation of 193 nm ultraviolet photodissociation (UVPD) within the ion cyclotron resonance (ICR) cell of a Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometer. UVPD performance characteristics were examined in the context of recent developments in the understanding of UVPD and in-cell tandem mass spectrometry. Efficient UVPD and photo-ECD of a model peptide and proteins within the ICR cell of a FT-ICR mass spectrometer are accomplished through appropriate modulation of laser pulse timing, relative to ion magnetron motion and the potential applied to an ion optical element upon which photons impinge. It is shown that UVPD yields efficient and extensive fragmentation, resulting in excellent sequence coverage for model peptide and protein cations.

  4. In Situ Mass Spectrometer Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The In Situ Mass Spectrometer projects focuses on a specific subsystem to leverage advanced research for laser-based in situ mass spectrometer development...

  5. Surface Plasmon Based Spectrometer

    Science.gov (United States)

    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.

  6. The Composite Infrared Spectrometer

    Science.gov (United States)

    Calcutt, Simon; Taylor, Fredric; Ade, Peter; Kunde, Virgil; Jennings, Donald

    1992-01-01

    The Composite Infrared Spectrometer (CIRS) is a remote sensing instrument to be flown on the Cassini orbiter. It contains two Fourier transform spectrometers covering wavelengths of 7-1000 microns. The instrument is expected to have higher spectral resolution, smaller field of view, and better signal-to-noise performance than its counterpart, IRIS, on the Voyager missions. These improvements allow the study of the variability of the composition and temperature of the atmospheres of both Saturn and Titan with latitude, longitude and height, as well as allowing the possibility of discovery of previously undetected chemical species in these atmospheres. The long wavelengths accessible to CIRS allow sounding deeper into both atmospheres than was possible with IRIS.

  7. Galileo Ultraviolet Spectrometer experiment

    Science.gov (United States)

    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.

  8. Miniaturized Ion Mobility Spectrometer

    Science.gov (United States)

    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.

  9. ALICE photon spectrometer crystals

    CERN Multimedia

    Maximilien Brice

    2006-01-01

    Members of the mechanical assembly team insert the last few crystals into the first module of ALICE's photon spectrometer. These crystals are made from lead-tungstate, a crystal as clear as glass but with nearly four times the density. When a high-energy particle passes through one of these crystals it will scintillate, emitting a flash of light allowing the energy of photons, electrons and positrons to be measured.

  10. High Mass Accuracy and High Mass Resolving Power FT-ICR Secondary Ion Mass Spectrometry for Biological Tissue Imaging

    CERN Document Server

    Smith, Donald F; Leach, Franklin E; Robinson, Errol W; Paša-Tolić, Ljiljana; Heeren, Ron M A

    2013-01-01

    Biological tissue imaging by secondary ion mass spectrometry has seen rapid development with the commercial availability of polyatomic primary ion sources. Endogenous lipids and other small bio-molecules can now be routinely mapped on the sub-micrometer scale. Such experiments are typically performed on time-of-flight mass spectrometers for high sensitivity and high repetition rate imaging. However, such mass analyzers lack the mass resolving power to ensure separation of isobaric ions and the mass accuracy for elemental formula assignment based on exact mass measurement. We have recently reported a secondary ion mass spectrometer with the combination of a C60 primary ion gun with a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) for high mass resolving power, high mass measurement accuracy and tandem mass spectrometry capabilities. In this work, high specificity and high sensitivity secondary ion FT-ICR MS was applied to chemical imaging of biological tissue. An entire rat brain tissu...

  11. Studies of Ga NMR and NQR in SrGa4

    Science.gov (United States)

    Niki, H.; Higa, N.; Nakamura, S.; Kuroshima, H.; Toji, T.; Yogi, M.; Nakamura, A.; Hedo, M.; Nakama, T.; Ōnuki, Y.; Harima, H.

    2015-04-01

    In order to microscopically investigate the properties in SrGa4, the Ga NMR measurements of a powder sample were carried out. The Ga NMR spectra corresponding to Ga(I) and Ga(II) sites are obtained. The NMR spectra of 69&71Ga (a nuclear spin I = 3/2) in the powder sample of SrGa4 do not take a typical powder pattern caused by the NQR interaction, but take the spectra consisting of three well resolved resonance-lines, which indicates that the nonuniform distribution of crystal orientation in the powder sample occurs because of the magnetic anisotropy. From the analysis of the Ga NMR spectrum, it is found that the ab-plane of the crystal is parallel to the external magnetic field, which would be attributed to the anisotropy of the magnetic susceptibility with the easy axis parallel to the ab-plane. This result is also confirmed by the 69Ga NQR in SrGa4. The Knight shifts of the 69Ga(I) and 69Ga(II) shift slightly to the negative side with decreasing temperature due to the core polarization of the d-electrons. The values of the Knight shift of the 69Ga(I) and 69Ga(II) are 0.01 and -0.11 % at 4.2 K, and 0.09 and -0.08 % at 300 K, respectively. The values of the 1/ T 1 T of the NMR of both 69Ga(I) and 69Ga(II) are almost constant between 4.2 and 100 K, whose values are 1.5 s -1 K -1 at 69Ga(I) and 0.12 s -1 K -1 at 69Ga(II), while the 1/ T 1 T slightly increase above 100K with increasing temperature. The value of T 1 of 69Ga(I) is one order of magnitude less than that of 69Ga(II).

  12. Studies of Ga NMR and NQR in SrGa{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Niki, H., E-mail: niki@sci.u-ryukyu.ac.jp; Higa, N.; Nakamura, S.; Kuroshima, H.; Toji, T.; Yogi, M.; Nakamura, A.; Hedo, M.; Nakama, T.; Ōnuki, Y. [University of the Ryukyus, Faculty of Science (Japan); Harima, H. [Kobe University, Faculty of Science (Japan)

    2015-04-15

    In order to microscopically investigate the properties in SrGa{sub 4}, the Ga NMR measurements of a powder sample were carried out. The Ga NMR spectra corresponding to Ga(I) and Ga(II) sites are obtained. The NMR spectra of {sup 69&71}Ga (a nuclear spin I = 3/2) in the powder sample of SrGa{sub 4} do not take a typical powder pattern caused by the NQR interaction, but take the spectra consisting of three well resolved resonance-lines, which indicates that the nonuniform distribution of crystal orientation in the powder sample occurs because of the magnetic anisotropy. From the analysis of the Ga NMR spectrum, it is found that the ab-plane of the crystal is parallel to the external magnetic field, which would be attributed to the anisotropy of the magnetic susceptibility with the easy axis parallel to the ab-plane. This result is also confirmed by the {sup 69}Ga NQR in SrGa{sub 4}. The Knight shifts of the {sup 69}Ga(I) and {sup 69}Ga(II) shift slightly to the negative side with decreasing temperature due to the core polarization of the d-electrons. The values of the Knight shift of the {sup 69}Ga(I) and {sup 69}Ga(II) are 0.01 and –0.11 % at 4.2 K, and 0.09 and –0.08 % at 300 K, respectively. The values of the 1/ T{sub 1}T of the NMR of both {sup 69}Ga(I) and {sup 69}Ga(II) are almost constant between 4.2 and 100 K, whose values are 1.5 s {sup −1}K{sup −1} at {sup 69}Ga(I) and 0.12 s {sup −1}K{sup −1} at {sup 69}Ga(II), while the 1/ T{sub 1}T slightly increase above 100K with increasing temperature. The value of T{sub 1} of {sup 69}Ga(I) is one order of magnitude less than that of {sup 69}Ga(II)

  13. Development of Neutron Spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang Hee; Lee, J. S.; Seong, B. S. (and others)

    2007-06-15

    Neutron spectrometers which are used in the basic researches such as physics, chemistry and materials science and applied in the industry were developed at the horizontal beam port of HANARO reactor. In addition, the development of core components for neutron scattering and the upgrade of existing facilities are also performed. The vertical neutron reflectometer was fabricated and installed at ST3 beam port. The performance test of the reflectometer was completed and the reflectometer was opened to users. The several core parts and options were added in the polarized neutron spectrometer. The horizontal neutron reflectometer from Brookhaven National Laboratory was moved to HANARO and installed, and the performance of the reflectometer was examined. The HIPD was developed and the performance test was completed. The base shielding for TAS was fabricated. The soller collimator, Cu mosaic monochromator, Si BPC monochromator and position sensitive detector were developed and applied in the neutron spectrometer as part of core component development activities. In addition, the sputtering machine for mirror device are fabricated and the neutron mirror is made using the sputtering machine. The FCD was upgraded and the performance of the FCD are improved over the factor of 10. The integration and upgrade of the neutron detection system were also performed.

  14. The NQR observation of spin-Peierls transition in an antiferromagnetic MX-chain complex [NiBr(chxn)2]Br2.

    Science.gov (United States)

    Takaishi, Shinya; Tobu, Yasuhiro; Kitagawa, Hiroshi; Goto, Atsushi; Shimizu, Tadashi; Okubo, Takashi; Mitani, Tadaoki; Ikeda, Ryuichi

    2004-02-18

    81Br Nuclear quadrupole resonance (NQR) measurement was performed in an S = 1/2 one-dimensional Heisenberg antiferromagnetic metal complex [NiBr(chxn)2]Br2 (chxn: 1R,2R-diaminocyclohexane), having a halogen-bridged MX chain structure -Br-Ni3+-Br-Ni3+-Br-. Two 81Br NQR signals were observed below 40 K, while a single signal was observed above 130 K, showing the presence of two nonequivalent bridging Br sites below 40 K. This NQR result together with previously reported magnetic susceptibility and X-ray results indicate the occurrence of a transition into a spin-Peierls state between 40 and 130 K. This communication reports the first spin-Peierls transition in metal complexes in which pure d electrons contribute to the magnetism. In addition, we demonstrated a new experimental method for studying a spin-Peierls system.

  15. 75As NQR and NMR Studies on the Superconducting State of Ca10Pt4As8(Fe1-xPtxAs)10

    Science.gov (United States)

    Kobayashi, Yoshiaki; Iida, Takefumi; Suzuki, Kazunori; Kawamata, Takayuki; Itoh, Masayuki; Sato, Masatoshi

    2014-01-01

    75As NQR and NMR measurements of Ca10Pt4As8(Fe1-xPtxAs)10 with the superconducting transition temperature Tc = 33.4 K have been carried out. The observed 75As NQR spectra can be divided into those from As sites in (Fe1-xPtx)As and PtAs2 layers. From the NQR spectra of 75As in the (Fe1-xPtxAs) layers, x is found to be ~20%, indicating that the superconductivity is robust against nonmagnetic impurities. This contradicts the existence of the sign reversal of the order parameter in the system. The 75As nuclear spin-lattice relaxation rates 1/T1's from the (Fe1-xPtx)As and PtAs2 layers indicate that the PtAs2 layers are in a nonmetallic state and do not contribute to the occurrence of the superconductivity.

  16. Br NQR relaxation and successive phase transitions of CH{sub 3}NH{sub 3}HgBr{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Niki, H., E-mail: niki@sci.u-ryukyu.ac.jp; Higa, K.; Okada, Y.; Oshiro, M.; Yogi, M. [University of the Ryukyus, Department of Physics, Faculty of Science (Japan); Terao, H. [Tokushima University, Department of Chemistry, Faculty of Integrated Arts and Sciences (Japan)

    2010-06-15

    The measurement of {sup 81}Br NQR in CH{sub 3}NH{sub 3}HgBr{sub 3} has been carried out in the temperature range between 80 and 300 K using a pulse NQR method. The temperature dependence of {sup 81}Br NQR frequencies in CH{sub 3}NH{sub 3}HgBr{sub 3} has revealed that it undergoes three characteristic successive phase transitions at T = 123, 184 and 239 K. The phase transition temperature at T = 239 K is the second-order type, whereas those at T = 184 and 123 K are the first-order nature of the phase transitions. Each phase transition seems to be closely related to the motions of methyl ammonium cation as a partial or whole. The enhancement of 1/T{sub 1} at T = 239 K indicates the onset of the molecular motion of the cation as a whole with increasing temperatures.

  17. Erhvervsprojekter i kvarterløft

    DEFF Research Database (Denmark)

    Larsen, Jacob Norvig

    Kvarterløft er en videreudvikling af den traditionelle byfornyelse, som primært sigter på at forbedre byens boliger. De første kvarterløft startede i 1996-97. Et kvarterløft er rettet mod et afgrænset område af byen og er helhedsorienteret. Det vil sige at der, foruden bygningsfornyelse, også ind...

  18. Mass spectrometers: instrumentation

    Science.gov (United States)

    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. FT Duplication Coordinates Reproductive and Vegetative Growth

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Chuan-Yu [Mississippi State University (MSU); Adams, Joshua P. [Mississippi State University (MSU); Kim, Hyejin [Mississippi State University (MSU); No, Kyoungok [Mississippi State University (MSU); Ma, Caiping [Oregon State University, Corvallis; Strauss, Steven [Oregon State University, Corvallis; Drnevich, Jenny [University of Illinois, Urbana-Champaign; Wickett, Norman [Pennsylvania State University; Vandervelde, Lindsay [Mississippi State University (MSU); Ellis, Jeffrey D. [Mississippi State University (MSU); Rice, Brandon [Mississippi State University (MSU); Gunter, Lee E [ORNL; Tuskan, Gerald A [ORNL; Brunner, Amy M. [Virginia Polytechnic Institute and State University (Virginia Tech); Page, Grier P. [RTI International; Carlson, John E. [Pennsylvania State University; DePamphilis, Claude [Pennsylvania State University; Luthe, Dawn S. [Pennsylvania State University; Yuceer, Cetin [Mississippi State University (MSU)

    2011-01-01

    Annual plants grow vegetatively at early developmental stages and then transition to the reproductive stage, followed by senescence in the same year. In contrast, after successive years of vegetative growth at early ages, woody perennial shoot meristems begin repeated transitions between vegetative and reproductive growth at sexual maturity. However, it is unknown how these repeated transitions occur without a developmental conflict between vegetative and reproductive growth. We report that functionally diverged paralogs FLOWERING LOCUS T1 (FT1) and FLOWERING LOCUS T2 (FT2), products of whole-genome duplication and homologs of Arabidopsis thaliana gene FLOWERING LOCUS T (FT), coordinate the repeated cycles of vegetative and reproductive growth in woody perennial poplar (Populus spp.). Our manipulative physiological and genetic experiments coupled with field studies, expression profiling, and network analysis reveal that reproductive onset is determined by FT1 in response to winter temperatures, whereas vegetative growth and inhibition of bud set are promoted by FT2 in response to warm temperatures and long days in the growing season. The basis for functional differentiation between FT1 and FT2 appears to be expression pattern shifts, changes in proteins, and divergence in gene regulatory networks. Thus, temporal separation of reproductive onset and vegetative growth into different seasons via FT1 and FT2 provides seasonality and demonstrates the evolution of a complex perennial adaptive trait after genome duplication.

  20. Polymorphism and disorder in natural active ingredients. Low and high-temperature phases of anhydrous caffeine: Spectroscopic ((1)H-(14)N NMR-NQR/(14)N NQR) and solid-state computational modelling (DFT/QTAIM/RDS) study.

    Science.gov (United States)

    Seliger, Janez; Žagar, Veselko; Apih, Tomaž; Gregorovič, Alan; Latosińska, Magdalena; Olejniczak, Grzegorz Andrzej; Latosińska, Jolanta Natalia

    2016-03-31

    The polymorphism of anhydrous caffeine (1,3,7-trimethylxanthine; 1,3,7-trimethyl-1H-purine-2,6-(3H,7H)-dione) has been studied by (1)H-(14)N NMR-NQR (Nuclear Magnetic Resonance-Nuclear Quadrupole Resonance) double resonance and pure (14)N NQR (Nuclear Quadrupole Resonance) followed by computational modelling (Density Functional Theory, supplemented Quantum Theory of Atoms in Molecules with Reduced Density Gradient) in solid state. For two stable (phase II, form β) and metastable (phase I, form α) polymorphs the complete NQR spectra consisting of 12 lines were recorded. The assignment of signals detected in experiment to particular nitrogen sites was verified with the help of DFT. The shifts of the NQR frequencies, quadrupole coupling constants and asymmetry parameters at each nitrogen site due to polymorphic transition were evaluated. The strongest shifts were observed at N(3) site, while the smallest at N(9) site. The commercial pharmaceutical sample was found to contain approximately 20-25% of phase I and 75-80% of phase II. The orientational disorder in phase II with a local molecular arrangement mimics that in phase I. Substantial differences in the intermolecular interaction phases I and II of caffeine were analysed using computational (DFT/QTAIM/RDS) approach. The analysis of local environment of each nitrogen nucleus permitted drawing some conclusions on the topology of interactions in both polymorphs. For the most stable orientations in phase I and phase II the maps of the principal component qz of EFG tensor and its asymmetry parameter at each point of the molecular system were calculated and visualized. The relevant maps calculated for both phases I and II indicates small variation in electrostatic potential upon phase change. Small differences between packings in phases slightly disturb the neighbourhood of the N(1) and N(7) nitrogens, thus are meaningless from the biological point of view. The composition of two phases in pharmaceutical material

  1. MASS SPECTROMETER LEAK

    Science.gov (United States)

    Shields, W.R.

    1960-10-18

    An improved valve is described for precisely regulating the flow of a sample fluid to be analyzed, such as in a mass spectrometer, where a gas sample is allowed to "leak" into an evacuated region at a very low, controlled rate. The flow regulating valve controls minute flow of gases by allowing the gas to diffuse between two mating surfaces. The structure of the valve is such as to prevent the corrosive feed gas from contacting the bellows which is employed in the operation of the valve, thus preventing deterioration of the bellows.

  2. In Site Analysis of a High Temperature Cure Reaction in Real Time Using Modulated Fiber-Optic FT-Raman Spectroscopy

    Science.gov (United States)

    Cooper, John; Aust, Jeffrey F.; Wise, Kent L.; Jensen, Brian J.

    1999-01-01

    The vibrational spectrum of a high temperature (330 C) polymerization reaction was successfully monitored in real time using a modulated fiber-optic FT-Raman spectrometer. A phenylethynyl terminated monomer was cured, and spectral evidence for two different reaction products was acquired. The products are a conjugated polyene chain and a cyclized trimer. This is the first report describing the use of FT-Raman spectroscopy to monitor a high temperature (greater than 250 C) reaction in real time.

  3. Study of quasistationary and stationary states in the short-repetition-time sequences in the NQR of nitrogen.

    Science.gov (United States)

    Mikhaltsevitch, V T; Rudakov, T N

    2004-01-01

    Experimental and theoretical study of quasistationary and stationary states that are established in the quadrupolar spin system subjected to the steady-state sequences which consist of a chain of identical pulses and can be preceded by a preparatory pulse. We have obtained theoretical expressions for the magnetisation of the spin system that take into account off-resonance conditions during the effect of the pulses. Frequency dependencies of the NQR signal in the quasistationary and stationary states are shown for C3H6N6O6 (RDX) and NaNO2, and compared with theoretical results.

  4. The SPEDE electron spectrometer

    CERN Document Server

    O'Neill, George

    This thesis presents SPEDE (SPectrometer for Electron DEtection) and documents its construction, testing and performance during commissioning at Jyvaskyla, Finland, before deployment at the HIE-ISOLDE facility at CERN coupled with the MINIBALL array to perform in-beam electron-gamma spectroscopy using post-accelerated radioactive ion beams. Commissioning experiments took place in two two-day stints during spring 2015, coupled with several JUROGAMII gamma-detectors. This spectrometer will help aid in fully understanding exotic regions of the nuclear chart such as regions with a high degree of octupole deformation, and in those nuclei exhibiting shape coexistence. For the rst time, electron spectroscopy has been performed at the target position from states populated in accelerated nuclei via Coulomb excitation. The FWHM of SPEDE is approximately 7 keV at 320 keV, and Doppler correction was possible to improve Doppler broadened peaks. The results are intended to give the reader a full understanding of the dete...

  5. Prototype Neutron Energy Spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Stephen Mitchell, Sanjoy Mukhopadhyay, Richard Maurer, Ronald Wolff

    2010-06-16

    The project goals are: (1) Use three to five pressurized helium tubes with varying polyethylene moderators to build a neutron energy spectrometer that is most sensitive to the incident neutron energy of interest. Neutron energies that are of particular interest are those from the fission neutrons (typically around 1-2 MeV); (2) Neutron Source Identification - Use the neutron energy 'selectivity' property as a tool to discriminate against other competing processes by which neutrons are generated (viz. Cosmic ray induced neutron production [ship effect], [a, n] reactions); (3) Determine the efficiency as a function of neutron energy (response function) of each of the detectors, and thereby obtain the composite neutron energy spectrum from the detector count rates; and (4) Far-field data characterization and effectively discerning shielded fission source. Summary of the presentation is: (1) A light weight simple form factor compact neutron energy spectrometer ready to be used in maritime missions has been built; (2) Under laboratory conditions, individual Single Neutron Source Identification is possible within 30 minutes. (3) Sources belonging to the same type of origin viz., (a, n), fission, cosmic cluster in the same place in the 2-D plot shown; and (4) Isotopes belonging to the same source origin like Cm-Be, Am-Be (a, n) or Pu-239, U-235 (fission) do have some overlap in the 2-D plot.

  6. Diagnosis of atherosclerosis in human carotid artery by FT-Raman spectroscopy: Principal Components Analysis algorithm

    Science.gov (United States)

    Nogueira, Grazielle V.; Silveira, Landulfo, Jr.; Martin, Airton A.; Zangaro, Renato A.; Pacheco, Marcos T.; Chavantes, Maria C.; Zampieri, Marcelo; Pasqualucci, Carlos A. G.

    2004-07-01

    FT- Raman Spectroscopy (FT-Raman) could allow identification and evaluation of human atherosclerotic lesions. A Raman spectrum can provide biochemical information of arteries which can help identifying the disease status and evolution. In this study, it is shown the results of FT-Raman for identification of human carotid arteries in vitro. Fragments of human carotid arteries were analyzed using a FT-Raman spectrometer with a Nd:YAG laser at 1064nm operating at an excitation power of 300mW. Spectra were obtained with 250 scans and spectral resolution of 4 cm-1. Each collection time was approximately 8 min. A total of 75 carotid fragments were spectroscopically scanned and FT-Raman results were compared with histopathology. Principal Components Analysis (PCA) was used to model an algorithm for tissue classification into three categories: normal, atherosclerotic plaque without calcification and atherosclerotic plaque with calcification. Non-atherosclerotic (normal) artery, atherosclerotic plaque and calcified plaque exhibit different spectral signatures related to biochemicals presented in each tissue type, such as, bands of collagen and elastin (proteins), cholesterol and its esters and calcium hydroxyapatite and carbonate apatite respectively. Results show that there is 96% match between classifications based on PCA algorithm and histopathology. The diagnostic applied over all 75 samples had sensitivity and specificity of about 89% and 100%, respectively, for atherosclerotic plaque and 100% and 98% for calcified plaque.

  7. Simulation of the SAGE spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Cox, D.M.; Herzberg, R.D. [University of Liverpool, Department of Physics, Oliver Lodge Laboratory, Liverpool (United Kingdom); Konki, J.; Greenlees, P.T.; Pakarinen, J.; Papadakis, P.; Rahkila, P.; Sandzelius, M.; Sorri, J. [University of Jyvaeskylae, Department of Physics, Jyvaeskylae (Finland); Hauschild, K. [Universite Paris-Sud, CSNSM-IN2P3-CNRS, Orsay (France)

    2015-06-15

    The SAGE spectrometer combines a Ge-detector array with a Si detector to allow simultaneous detection of γ-rays and electrons. A comprehensive GEANT4 simulation package of the SAGE spectrometer has been developed with the ability to simulate the expected datasets based on user input files. The measured performance of the spectrometer is compared to the results obtained from the simulations. (orig.)

  8. Spatial heterodyne spectrometer for FLEX

    Science.gov (United States)

    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.

  9. QUEST-QUadrupolar Exact SofTware: a fast graphical program for the exact simulation of NMR and NQR spectra for quadrupolar nuclei.

    Science.gov (United States)

    Perras, Frédéric A; Widdifield, Cory M; Bryce, David L

    2012-01-01

    We present a new program for the exact simulation of solid-state NMR spectra of quadrupolar nuclei in stationary powdered samples which employs diagonalization of the combined Zeeman-quadrupolar Hamiltonian. The program, which we call QUEST (QUadrupolar Exact SofTware), can simulate NMR spectra over the full regime of Larmor and quadrupolar frequency ratios, which encompasses scenarios ranging from high-field NMR to nuclear quadrupole resonance (NQR, where the Larmor frequency is zero) and does not make use of approximations when treating the quadrupolar interaction. With the use of the fast powder averaging scheme of Alderman, Solum, and Grant, exact NMR spectral simulations are only marginally slower than the second-order perturbation theory counterpart. The program, which uses a graphical user interface, also incorporates chemical shift anisotropy and non-coincident chemical shift and quadrupolar tensor frames. The program is validated against newly-acquired experimental data through several examples including: the low-field (79/81)Br NMR spectra of CaBr(2), the (14)N overtone NMR spectrum of glycine, the (187)Re NQR spectra of Re(2)(CO)(10), and lastly the (127)I overtone NQR spectrum of SrI(2), which, to the best of our knowledge, represents the first direct acquisition of an overtone NQR spectrum for a powdered sample.

  10. New perspectives in the PAW/GIPAW approach: J(P-O-Si) coupling constants, antisymmetric parts of shift tensors and NQR predictions.

    Science.gov (United States)

    Bonhomme, Christian; Gervais, Christel; Coelho, Cristina; Pourpoint, Frédérique; Azaïs, Thierry; Bonhomme-Coury, Laure; Babonneau, Florence; Jacob, Guy; Ferrari, Maude; Canet, Daniel; Yates, Jonathan R; Pickard, Chris J; Joyce, Siân A; Mauri, Francesco; Massiot, Dominique

    2010-12-01

    In 2001, Pickard and Mauri implemented the gauge including projected augmented wave (GIPAW) protocol for first-principles calculations of NMR parameters using periodic boundary conditions (chemical shift anisotropy and electric field gradient tensors). In this paper, three potentially interesting perspectives in connection with PAW/GIPAW in solid-state NMR and pure nuclear quadrupole resonance (NQR) are presented: (i) the calculation of J coupling tensors in inorganic solids; (ii) the calculation of the antisymmetric part of chemical shift tensors and (iii) the prediction of (14)N and (35)Cl pure NQR resonances including dynamics. We believe that these topics should open new insights in the combination of GIPAW, NMR/NQR crystallography, temperature effects and dynamics. Points (i), (ii) and (iii) will be illustrated by selected examples: (i) chemical shift tensors and heteronuclear (2)J(P-O-Si) coupling constants in the case of silicophosphates and calcium phosphates [Si(5)O(PO(4))(6), SiP(2)O(7) polymorphs and α-Ca(PO(3))(2)]; (ii) antisymmetric chemical shift tensors in cyclopropene derivatives, C(3)X(4) (X = H, Cl, F) and (iii) (14)N and (35)Cl NQR predictions in the case of RDX (C(3)H(6)N(6)O(6)), β-HMX (C(4)H(8)N(8)O(8)), α-NTO (C(2)H(2)N(4)O(3)) and AlOPCl(6). RDX, β-HMX and α-NTO are explosive compounds.

  11. Temperature- and pressure-dependent study of 35Cl NQR frequency and spin lattice relaxation time in 2,3-dichloroanisole.

    Science.gov (United States)

    Ramu, L; Ramesh, K P; Ramananda, D; Chandramani, R

    2010-08-01

    The temperature and pressure dependence of (35)Cl NQR frequency and spin lattice relaxation time (T(1)) were investigated in 2,3-dichloroanisole. Two NQR signals were observed throughout the temperature and pressure range studied. T(1) were measured in the temperature range from 77 to 300 K and from atmospheric pressure to 5 kbar. Relaxation was found to be due to the torsional motion of the molecule and also reorientation of motion of the CH(3) group. T(1) versus temperature data were analyzed on the basis of Woessner and Gutowsky model, and the activation energy for the reorientation of the CH(3) group was estimated. The temperature dependence of the average torsional lifetimes of the molecules and the transition probabilities were also obtained. NQR frequency shows a nonlinear behavior with pressure, indicating both dynamic and static effects of pressure. The pressure coefficients were observed to be positive for both the lines. A thermodynamic analysis of the data was carried out to determine the constant volume temperature coefficients of the NQR frequency. The variation of spin lattice time with pressure was very small, showing that the relaxation is mainly due to the torsional motions of the molecules.

  12. Protonic motion in one-dimensional hydrogen-bonded molecular crystal [4,6-dmpH][Hca] as revealed by {sup 35}Cl NQR

    Energy Technology Data Exchange (ETDEWEB)

    Asaji, Tetsuo, E-mail: asaji@chs.nihon-u.ac.jp [Department of Chemistry, College of Humanities and Sciences, Nihon University, Sakurajosui 3-25-40, Setagaya-ku, Tokyo 156-8550 (Japan); Konnai, Akiko [Navigation and System Engineering Department, National Maritime Research Institute, Shinkawa 6-38-1, Mitaka, Tokyo 181-0004 (Japan); Oguni, Masaharu [Department of Chemistry, Graduate School of Science and Engineering, Tokyo Institute of Technology, O-okayama 2-12-1, Meguro-ku, Tokyo 152-8551 (Japan)

    2012-03-20

    Highlights: Black-Right-Pointing-Pointer 1-D ferroelectric hydrogen-bonded chain. Black-Right-Pointing-Pointer The migration of a protonic soliton in the chain. Black-Right-Pointing-Pointer Protonic motion was detected by {sup 35}Cl NQR spin-lattice relaxation measurements. Black-Right-Pointing-Pointer Heat capacity revealed no phase transition in [4,6-dmpH][Hca]. - Abstract: A protonic motion in the 1-D hydrogen-bonded zigzag chain in 4,6-dimethylpyrimidinium hydrogen chloranilate, [4,6-dmpH][Hca], was studied from the measurements of {sup 35}Cl nuclear quadrupole resonance (NQR) spin-lattice relaxation time (T{sub 1}). The four NQR frequencies were observed at 36.846, 36.767, 35.945, and 35.905 MHz at 77 K. The temperature dependences of these frequencies were smooth and continuous in 77-360 K. The absence of solid-solid phase transition and the metastable phase was confirmed by heat capacity measurements. Temperature dependence of the NQR T{sub 1} suggests an excitation of a motion above ca. 200 K with the activation energy of 11.5 kJ mol{sup -1}. In the stable phase too, the excitation of proton transfer is expected to occur as suggested for the metastable phase of as-grown crystals. Such transfer motion may be possible at the kink structure of the 1-D ferroelectric zigzag chain, and the kink can migrate in the chain accordingly.

  13. 35Cl NQR spectra of phosphorus chlorides and their molecular conformations in crystals. Part 1. Phosphorus (III) chlorides RPCl 2

    Science.gov (United States)

    Kozlov, E. S.; Kapustin, E. G.; Soifer, G. B.

    2000-09-01

    For the phosphorus chlorides RPCl 2 (R=Cl, Me, ClCH 2, CF 3, Et, i-Pr, Me 2C=CH, PhCH=CH, Me 2N, Et 2N, Pr 2N, MeO, PhO) and R'PCl 2 (R'=Ar, 2-thienyl) two linear correlations between the 35Cl NQR frequencies and charges on the chlorine atoms of the PCl 2 groups calculated by the MNDO procedure have been found. It was shown that the 35Cl NQR spectra and the relative magnitudes of the charges on the chlorine atoms of the PCl 2 groups can be used to determine conformation of the RPCl 2 molecules in crystal. Ab initio (RHF/6-31 G ∗ and MP2/6-31 G ∗) calculations showed that the gauche conformation of Me 2NPCl 2 molecule is more stable than trans conformation. In light of ab initio calculations electron diffraction results (Vilkov L.V., Khaikin L.S., Dokl. Akad. Nauk SSSR, 168 (1966) 810) are erroneous. The NBO analysis confirmed the presence of donor-acceptor interactions between the lone pair orbital of the nitrogen atom and the antibonding orbitals of the P-Cl bonds.

  14. Chemical structure and intra-molecular effects on NMR-NQR tensors of harmine and harmaline alkaloids

    Science.gov (United States)

    Ahmadinejad, Neda; Tahan, Arezoo; Talebi Tari, Mostafa

    2016-02-01

    Density functional theory (DFT) methods were used to analyze the effects of molecular structure and ring currents on the NMR chemical shielding tensors and NQR frequencies of harmine and harmaline alkaloids in the gas phase. The results demonstrated that NMR tensors and NQR frequencies of 15N nuclei in these compounds depend on chemical environment and resonance interactions. Hence, their values are obviously different in the mentioned structures. The interpretation of natural bond orbital (NBO) data suggests that in harmine structure, the lone pair participation of N9 in π-system electron clouds causes to development of aromaticity nature in pyrrole ring. However, the chemical shielding around N9 atom in harmine structure is higher than in harmaline, while in harmaline structure, lone pair participation of N2 in π-system electron clouds causes to development of aromaticity nature in pyridine ring. Hence, chemical shielding around N2 atom in harmaline structure is higher than in harmine. It can be deduced that by increasing lone pair electrons contribution of nitrogen atoms in ring resonance interactions and aromaticity development, the values of NMR chemical shielding around them increase, while χ and q zz values of these nuclei decrease.

  15. Central role of the Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) in sodium bioenergetics of Vibrio cholerae.

    Science.gov (United States)

    Steuber, Julia; Halang, Petra; Vorburger, Thomas; Steffen, Wojtek; Vohl, Georg; Fritz, Günter

    2014-12-01

    Vibrio cholerae is a Gram-negative bacterium that lives in brackish or sea water environments. Strains of V. cholerae carrying the pathogenicity islands infect the human gut and cause the fatal disease cholera. Vibrio cholerae maintains a Na(+) gradient at its cytoplasmic membrane that drives substrate uptake, motility, and efflux of antibiotics. Here, we summarize the major Na(+)-dependent transport processes and describe the central role of the Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR), a primary Na(+) pump, in maintaining a Na(+)-motive force. The Na(+)-NQR is a membrane protein complex with a mass of about 220 kDa that couples the exergonic oxidation of NADH to the transport of Na(+) across the cytoplasmic membrane. We describe the molecular architecture of this respiratory complex and summarize the findings how electron transport might be coupled to Na(+)-translocation. Moreover, recent advances in the determination of the three-dimensional structure of this complex are reported.

  16. Laser-induced acoustic desorption coupled with a linear quadrupole ion trap mass spectrometer.

    Science.gov (United States)

    Habicht, Steven C; Amundson, Lucas M; Duan, Penggao; Vinueza, Nelson R; Kenttämaa, Hilkka I

    2010-01-15

    In recent years, laser-induced acoustic desorption (LIAD) coupled with a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer has been demonstrated to provide a valuable technique for the analysis of a wide variety of nonvolatile, thermally labile compounds, including analytes that could not previously be analyzed by mass spectrometry. Although FT-ICR instruments are very powerful, they are also large and expensive and, hence, mainly used as research instruments. In contrast, linear quadrupole ion trap (LQIT) mass spectrometers are common due to several qualities that make these instruments attractive for both academic and industrial settings, such as high sensitivity, large dynamic range, and experimental versatility. Further, the relatively small size of the instruments, comparatively low cost, and the lack of a magnetic field provide some distinct advantages over FT-ICR instruments. Hence, we have coupled the LIAD technique with a commercial LQIT, the Thermo Fischer Scientific LTQ mass spectrometer. The LQIT was modified for a LIAD probe by outfitting the removable back plate of the instrument with a 6 in. ConFlat flange (CFF) port, gate valve, and sample lock. Reagent ions were created using the LQIT's atmospheric pressure ionization source and trapped in the mass analyzer for up to 10 s to allow chemical ionization reactions with the neutral molecules desorbed via LIAD. These initial experiments focused on demonstrating the feasibility of performing LIAD in the LQIT. Hence, the results are compared to those obtained using an FT-ICR mass spectrometer. Despite the lower efficiency in the transfer of desorbed neutral molecules into the ion trap, and the smaller maximum number of available laser pulses, the intrinsically higher sensitivity of the LQIT resulted in a higher sensitivity relative to the FT-ICR.

  17. (121,123)Sb and (75)As NMR and NQR investigation of the tetrahedrite (Cu12Sb4S13)--Tennantite (Cu12As4S13) system and other metal arsenides.

    Science.gov (United States)

    Bastow, T J; Lehmann-Horn, J A; Miljak, D G

    2015-10-01

    This work is motivated by the recent developments in online minerals analysis in the mining and minerals processing industry via nuclear quadrupole resonance (NQR). Here we describe a nuclear magnetic resonance (NMR) and NQR study of the minerals tennantite (Cu12As4S13) and tetrahedrite (Cu12 Sb4S13). In the first part NQR lines associated with (75)As in tennantite and (121,123)Sb isotopes in tetrahedrite are reported. The spectroscopy has been restricted to an ambient temperature studies in accord with typical industrial conditions. The second part of this contribution reports nuclear quadrupole-perturbed NMR findings on further, only partially characterised, metal arsenides. The findings enhance the detection capabilities of NQR based analysers for online measurement applications and may aid to control arsenic and antimony concentrations in metal processing stages.

  18. Kerr geometry in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Bejarano, Cecilia; Guzman, Maria Jose [Instituto de Astronomia y Fisica del Espacio (IAFE, CONICET-UBA), Buenos Aires (Argentina); Ferraro, Rafael [Instituto de Astronomia y Fisica del Espacio (IAFE, CONICET-UBA), Buenos Aires (Argentina); Universidad de Buenos Aires, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Buenos Aires (Argentina)

    2015-02-01

    Null tetrads are shown to be a valuable tool in teleparallel theories of modified gravity. We use them to prove that Kerr geometry remains a solution for a wide family of f(T) theories of gravity. (orig.)

  19. Statefinder Analysis of f(T) Cosmology

    CERN Document Server

    Jamil, Mubasher; Myrzakulov, Ratbay; Rudra, Prabir; 10.1143/JPSJ.81.114004

    2012-01-01

    In this paper, we intend to evaluate and analyze the statefinder parameters in $f(T)$ cosmology. Friedmann equation in $f(T)$ model is taken, and the statefinder parameters $\\{r,s\\}$ are calculated. We consider a model of $f(T)$ which contains a constant, linear and non-linear form of torsion. We plot $r$ and $s$ in order to characterize this model in the $\\{r,s\\}$ plane. We found that our model $f(T)=2C_1 \\sqrt{-T} +\\alpha T+C_2,$ predicts the decay of dark energy in the far future while its special case namely teleparallel gravity predicts that dark energy will overcome over all the energy content of the Universe.

  20. f(T) teleparallel gravity and cosmology

    CERN Document Server

    Cai, Yi-Fu; De Laurentis, Mariafelicia; Saridakis, Emmanuel N

    2015-01-01

    Over the past decades, the role of torsion in gravity has been extensively investigated along the main direction of bringing gravity closer to its gauge formulation and incorporating spin in a geometric description. Here we review various torsional constructions, from teleparallel, to Einstein-Cartan, and metric-affine gauge theories, resulting in extending torsional gravity in the paradigm of f(T) gravity, where f(T) is an arbitrary function of the torsion scalar. Based on this theory, we further review the corresponding cosmological and astrophysical applications. In particular, we study cosmological solutions arising from f(T) gravity, both at the background and perturbation levels, in different eras along the cosmic expansion. The f(T) gravity construction can provide a theoretical interpretation of the late-time universe acceleration, and it can easily accommodate with the regular thermal expanding history including the radiation and cold dark matter dominated phases. Furthermore, if one traces back to v...

  1. Processing of explosive nuclear quadrupole resonance signals based on empirical mode decomposition and wavelet transform%基于经验模态分解及小波变换的炸药 NQR 信号处理

    Institute of Scientific and Technical Information of China (English)

    郝凤龙; 徐更光; 黄学义

    2014-01-01

    Explosive nuclear quadrupole resonance (NQR ) signals have nonlinear and non-stationary characteristics.In order to solve the NQR signal de-noising problem,a de-noising method based on empirical mode decomposition (EMD)and wavelet transform was proposed.The original NQR signals of RDX detected by experiment were used to analyze the de-noising performance.The results indicate that the proposed method can eliminate the noise effectively and well preserve the effective information of original signals.Meanwhile,the method can overcome the shortcomings of wavelet threshold de-noising and direct EMD de-noising,and improve the signal-to-noise ratio.The method has excellent adaptability,and was proved to be an effective de-noising way for NQR signals.%为解决炸药 NQR 信号去噪问题,针对 NQR 信号非线性与非平稳性特点,提出基于经验模态分解及小波变换联合的信号去噪方法。据实验测试的黑索金 NQR 信号对所提方法进行去噪性能分析。结果表明该方法在保留信号有用信息的前提下可有效去除噪声,从而提高信噪比、克服小波阈值去噪与直接 EMD 去噪缺陷,自适应性良好,为有效的炸药 NQR 信号去噪方法。

  2. Development, characterization and application of compact spectrometers based on MEMS with in-plane capacitive drives

    Science.gov (United States)

    Kenda, A.; Kraft, M.; Tortschanoff, A.; Scherf, Werner; Sandner, T.; Schenk, Harald; Luettjohann, Stephan; Simon, A.

    2014-05-01

    With a trend towards the use of spectroscopic systems in various fields of science and industry, there is an increasing demand for compact spectrometers. For UV/VIS to the shortwave near-infrared spectral range, compact hand-held polychromator type devices are widely used and have replaced larger conventional instruments in many applications. Still, for longer wavelengths this type of compact spectrometers is lacking suitable and affordable detector arrays. In perennial development Carinthian Tech Research AG together with the Fraunhofer Institute for Photonic Microsystems endeavor to close this gap by developing spectrometer systems based on photonic MEMS. Here, we review on two different spectrometer developments, a scanning grating spectrometer working in the NIR and a FT-spectrometer accessing the mid-IR range up to 14 μm. Both systems are using photonic MEMS devices actuated by in-plane comb drive structures. This principle allows for high mechanical amplitudes at low driving voltages but results in gratings respectively mirrors oscillating harmonically. Both systems feature special MEMS structures as well as aspects in terms of system integration which shall tease out the best possible overall performance on the basis of this technology. However, the advantages of MEMS as enabling technology for high scanning speed, miniaturization, energy efficiency, etc. are pointed out. Whereas the scanning grating spectrometer has already evolved to a product for the point of sale analysis of traditional Chinese medicine products, the purpose of the FT-spectrometer as presented is to demonstrate what is achievable in terms of performance. Current developments topics address MEMS packaging issues towards long term stability, further miniaturization and usability.

  3. Aerosol mobility size spectrometer

    Science.gov (United States)

    Wang, Jian; Kulkarni, Pramod

    2007-11-20

    A device for measuring aerosol size distribution within a sample containing aerosol particles. The device generally includes a spectrometer housing defining an interior chamber and a camera for recording aerosol size streams exiting the chamber. The housing includes an inlet for introducing a flow medium into the chamber in a flow direction, an aerosol injection port adjacent the inlet for introducing a charged aerosol sample into the chamber, a separation section for applying an electric field to the aerosol sample across the flow direction and an outlet opposite the inlet. In the separation section, the aerosol sample becomes entrained in the flow medium and the aerosol particles within the aerosol sample are separated by size into a plurality of aerosol flow streams under the influence of the electric field. The camera is disposed adjacent the housing outlet for optically detecting a relative position of at least one aerosol flow stream exiting the outlet and for optically detecting the number of aerosol particles within the at least one aerosol flow stream.

  4. Photo ion spectrometer

    Science.gov (United States)

    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.

  5. VEGAS: VErsatile GBT Astronomical Spectrometer

    Science.gov (United States)

    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.

  6. Spectrometers and Polyphase Filterbanks in Radio Astronomy

    CERN Document Server

    Price, Danny C

    2016-01-01

    This review gives an introduction to spectrometers and discusses their use within radio astronomy. While a variety of technologies are introduced, particular emphasis is given to digital systems. Three different types of digital spectrometers are discussed: autocorrelation spectrometers, Fourier transform spectrometers, and polyphase filterbank spectrometers. Given their growing ubiquity and significant advantages, polyphase filterbanks are detailed at length. The relative advantages and disadvantages of different spectrometer technologies are compared and contrasted, and implementation considerations are presented.

  7. Novel Micro Fourier Transform Spectrometers

    Institute of Scientific and Technical Information of China (English)

    KONG Yan-mei; LIANG Jing-qiu; LIANG Zhong-zhu; WANG-Bo; ZHANG Jun

    2008-01-01

    The miniaturization of spectrometer opens a new application area with real-time and on-site measurements. The Fourier transform spectrometer(FTS) is much attractive considering its particular advantages among the approaches. This paper reviews the current status of micro FTS in worldwide and describes its developments; In addition, analyzed are the key problems in designing and fabricating FTS to be settled during the miniaturization. Finally, a novel model of micro FTS with no moving parts is proposed and analyzed, which may provide new concepts for the design of spectrometers.

  8. Kinetics and evolved gas analysis for pyrolysis of food processing wastes using TGA/MS/FT-IR.

    Science.gov (United States)

    Özsin, Gamzenur; Pütün, Ayşe Eren

    2017-06-01

    The objective of this study was to identify the pyrolysis of different bio-waste produced by food processing industry in a comprehensible manner. For this purpose, pyrolysis behaviors of chestnut shells (CNS), cherry stones (CS) and grape seeds (GS) were investigated by thermogravimetric analysis (TGA) combined with a Fourier-transform infrared (FT-IR) spectrometer and a mass spectrometer (MS). In order to make available theoretical groundwork for biomass pyrolysis, activation energies were calculated with the help of four different model-free kinetic methods. The results are attributed to the complex reaction schemes which imply parallel, competitive and complex reactions during pyrolysis. During pyrolysis, the evolution of volatiles was also characterized by FT-IR and MS. The main evolved gases were determined as H2O, CO2 and hydrocarbons such as CH4 and temperature dependent profiles of the species were obtained. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. Adaptive Computed Tomography Imaging Spectrometer Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The present proposal describes the development of an adaptive Computed Tomography Imaging Spectrometer (CTIS), or "Snapshot" spectrometer which can "instantaneously"...

  10. FT-IR Analysis of Urinary Stones: A Helpful Tool for Clinician Comparison with the Chemical Spot Test

    Directory of Open Access Journals (Sweden)

    Aniello Primiano

    2014-01-01

    Full Text Available Background. Kidney stones are a common illness with multifactorial etiopathogenesis. The determination of crystalline and molecular composition and the quantification of all stone components are important to establish the etiology of stones disease but it is often laborious to obtain using the chemical method. The aim of this paper is to compare chemical spot test with FT-IR spectroscopy, for a possible introduction in our laboratory. Methods. We analyzed 48 calculi using Urinary Calculi Analysis kit in accordance with the manufacturer’s instructions. The same samples were analyzed by FT-IR using the Perkin Elmer Spectrum One FT-IR Spectrometer. All FT-IR spectra of kidney stones were then computer matched against a library of spectra to generate a report on the various components. Results. On the basis of FT-IR analysis, the 48 calculi were divided into three groups: pure stone, mixed stone, and pure stone with substances in trace. Results of each group were compared with those obtained with chemical spot test. A general disagreement between methods was observed. Conclusions. According to our data, the introduction of the FT-IR technique in clinical chemistry laboratory may be more responsive to clinician expectations.

  11. FT-IR Analysis of Urinary Stones: A Helpful Tool for Clinician Comparison with the Chemical Spot Test

    Science.gov (United States)

    Primiano, Aniello; D'Addessi, Alessandro; Cocci, Andrea; Schiattarella, Arcangelo; Zuppi, Cecilia

    2014-01-01

    Background. Kidney stones are a common illness with multifactorial etiopathogenesis. The determination of crystalline and molecular composition and the quantification of all stone components are important to establish the etiology of stones disease but it is often laborious to obtain using the chemical method. The aim of this paper is to compare chemical spot test with FT-IR spectroscopy, for a possible introduction in our laboratory. Methods. We analyzed 48 calculi using Urinary Calculi Analysis kit in accordance with the manufacturer's instructions. The same samples were analyzed by FT-IR using the Perkin Elmer Spectrum One FT-IR Spectrometer. All FT-IR spectra of kidney stones were then computer matched against a library of spectra to generate a report on the various components. Results. On the basis of FT-IR analysis, the 48 calculi were divided into three groups: pure stone, mixed stone, and pure stone with substances in trace. Results of each group were compared with those obtained with chemical spot test. A general disagreement between methods was observed. Conclusions. According to our data, the introduction of the FT-IR technique in clinical chemistry laboratory may be more responsive to clinician expectations. PMID:24868112

  12. PANDA: Cold three axes spectrometer

    Directory of Open Access Journals (Sweden)

    Astrid Schneidewind

    2015-08-01

    Full Text Available The cold three axes spectrometer PANDA, operated by JCNS, Forschungszentrum Jülich, offers high neutron flux over a large dynamic range keeping the instrumental background comparably low.

  13. β-NMR and β-NQR Spectrometer%β核磁共振和β核四极共振谱仪

    Institute of Scientific and Technical Information of China (English)

    周冬梅; M.Mihara; M.Fukuda; K.Matsuta; T.Minamisono; 朱升云; 郑永男; 朱佳政; 徐勇军; 杜恩鹏; 王志强; 骆海龙; 袁大庆; 容超凡

    2004-01-01

    为了开展核物理、粒子物理和凝聚态物理方面的研究,在中国原子能科学研究院建成了1台β核磁共振及β核四极共振谱仪.利用该谱仪精确测量了12B的极化度和12B基态磁矩,所测量的12B在Cu中的极化度为11.4%±0.6%,12B磁矩μ=1.000 2±0.002 8 nm.实验应用证实该谱仪性能可靠.

  14. Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

    Science.gov (United States)

    Borsa, F.; Rigamonti, A.

    1991-01-01

    La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for x ranging from 0 up to 0.3, with particular emphasis on the effect of doping on the Cu(2+) magnetic correlations and dynamics, are reviewed. In the low doping limit, x less than or equal to 0.05, the results can be interpreted consistently in terms of a simple phenomenological 'two-fluids' model whereby the effect of thermally-activated mobile O(2p) holes is the one of disrupting locally the Cu(2+) spin correlations. For x greater than or equal to 0.1, the results indicate the onset, as T approaches T(sub c)(+), of a strong coupling between Cu(2+) spins and the Fermi liquid of O(2p) holes leading to the apparent disappearance of localized Cu(2+) moment in connection with the opening of a superconducting gap.

  15. Ferromagnetic Spin Fluctuation and Unconventional Superconductivity in Rb2Cr3As3 Revealed by 75As NMR and NQR

    Science.gov (United States)

    Yang, J.; Tang, Z. T.; Cao, G. H.; Zheng, Guo-qing

    2015-10-01

    We report 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) studies on the superconductor Rb2Cr3As3 with a quasi-one-dimensional crystal structure. Below T ˜100 K , the spin-lattice relaxation rate (1 /T1 ) divided by temperature, 1 /T1T , increases upon cooling down to Tc=4.8 K , showing a Curie-Weiss-like temperature dependence. The Knight shift also increases with decreasing temperature. These results suggest ferromagnetic spin fluctuation. In the superconducting state, 1 /T1 decreases rapidly below Tc without a Hebel-Slichter peak, and follows a T5 variation below T ˜3 K , which points to unconventional superconductivity with point nodes in the gap function.

  16. Lignin analysis by FT-Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, U.P.; Obst, J.R.; Cannon, A.B. [USDA Forest Products Lab., Madison, WI (United States)

    1996-10-01

    Traditional methods of lignin analysis, such as Klason (acid insoluble) lignin determinations, give satisfactory results, are widely accepted, and often are considered as standard analyses. However, the Klason lignin method is laborious and time consuming; it also requires a fairly large-amount of isolated analyte. FT-Raman spectroscopy offers an opportunity to simplify and speed up lignin analyses. FT-Raman data for a number of hardwoods (angiosperms) and softwoods (gymnosperms) are compared with data obtained using other analytical methods, including Klason lignin (with corrections for acid soluble lignin), acetyl bromide, and FT-IR determinations. In addition, 10 different specimens of Nothofagus dombeyii (chosen because of the widely varying syringyl:guaiacyl monomer compositions of their lignins) were also analyzed. Lignin monomer compositions were determined by thioacidolysis of by nitrobenzene oxidation.

  17. Studies of the electronic structure and biological activity of chosen 1,4-benzodiazepines by {sup 35}Cl NQR spectroscopy and DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bronisz, K. [Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Ostafin, M. [Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland)], E-mail: ostifnqr@amu.edu.pl; Poleshchuk, O. Kh. [Department of Chemistry, Tomsk Pedagogical University, Komsomolskii 75, 634041 Tomsk (Russian Federation); Mielcarek, J. [Faculty of Pharmacy, University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan (Poland); Nogaj, B. [Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland)

    2006-11-08

    Selected derivatives of 1,4-benzodiazepine: lorazepam, lormetazepam, oxazepam and temazepam, used as active substances in anxiolytic drugs, have been studied by {sup 35}Cl NQR method in order to find the correlation between electronic structure and biological activity. The {sup 35}Cl NQR resonance frequencies ({nu} {sub Q}) measured at 77 K have been correlated with the following parameters characterising their biological activity: biological half-life period (t {sub 0.5}), affinity to benzodiazepine receptor (IC{sub 50}) and mean dose equivalent. The results of experimental study of some benzodiazepine derivatives by nuclear quadrupole resonance of {sup 35}Cl nuclei are compared with theoretical results based on DFT calculations which were carried out by means of Gaussian'98 W software.

  18. H/D isotope effect of {sup 1}H MAS NMR spectra and {sup 79}Br NQR frequencies of piperidinium p-bromobenzoate and pyrrolidinium p-bromobenzoate

    Energy Technology Data Exchange (ETDEWEB)

    Honda, Hisashi, E-mail: hhonda@yokohama-cu.ac.jp [Yokohama City University, Graduate School of Nanobioscience (Japan); Kyo, Shinshin [Yokohama City University, Faculty of Sciences (Japan); Akaho, Yousuke [Yokohama City University, Faculty of International College of Arts and Sciences (Japan); Takamizawa, Satoshi [Yokohama City University, Graduate School of Nanobioscience (Japan); Terao, Hiromitsu [Tokushima University, Faculty of Integrated Arts and Sciences (Japan)

    2010-04-15

    H/D isotope effects onto {sup 79}Br NQR frequencies of piperidinium p-bromobenzoate were studied by deuterium substitution of hydrogen atoms which form two kinds of N-H Midline-Horizontal-Ellipsis O type hydrogen bonds, and the isotope shift of ca. 100 kHz were detected for a whole observed temperature range. In addition, {sup 1}H MAS NMR spectra measurements of piperidinium and pyrrolidinium p-bromobenzoate were carried out and little isotope changes of NMR line shape were detected. In order to reveal effects of molecular arrangements into the obtained isotope shift of NQR frequencies, single-crystal X-ray measurement of piperidinium p-bromobenzoate-d2 and density-functional-theory calculation were carried out. Our estimation showed the dihedral-angle change between piperidine and benzene ring contributes to isotope shift rather than those of N-H lengths by deuterium substitution.

  19. 14N NQR and proton NMR study of ferroelectric phase transition and proton exchange in organic ferroelectric (H2-TPPZ)(Hca)2.

    Science.gov (United States)

    Seliger, Janez; Zagar, Veselko; Asaji, Tetsuo; Hasegawa, Yumi

    2010-04-07

    The complete (14)N nuclear quadrupole resonance spectrum has been measured in ferroelectric (H(2)-TPPZ)(Hca)(2) using nuclear quadrupole double resonance. The quadrupole coupling tensors are assigned to various nitrogen positions in the crystal structure. Two types of asymmetric N-H(+)...N hydrogen bonds are observed in the ferroelectric phase. A slow dynamics influencing the (14)N NQR spectrum and relaxation has been observed in the paraelectric phase. The analysis of the (14)N NQR spectra in the paraelectric phase shows that above T(c) each hydrogen bond exchanges between the two types observed in the ferroelectric phase. The change of the type of hydrogen bond is associated with the transfer of protons within the bond.

  20. Volovik effect and Fermi-liquid behavior in the s -wave superconductor CaPd2As2: 75As NMR-NQR measurements

    Science.gov (United States)

    Ding, Q.-P.; Wiecki, P.; Anand, V. K.; Sangeetha, N. S.; Lee, Y.; Johnston, D. C.; Furukawa, Y.

    2016-04-01

    The electronic and magnetic properties of the collapsed-tetragonal CaPd2As2 superconductor (SC) with a transition temperature of 1.27 K have been investigated by 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. The temperature (T ) dependence of the nuclear spin lattice relaxation rates (1 /T1) and the Knight shifts indicate the absence of magnetic correlations in the normal state. In the SC state, 1 /T1 measured by 75As NQR shows a clear Hebel-Slichter (HS) peak just below Tc and decreases exponentially at lower T , confirming a conventional s -wave SC. In addition, the Volovik effect, also known as the Doppler shift effect, has been clearly evidenced by the observation of the suppression of the HS peak with applied magnetic field.

  1. Studies of the electronic structure and biological activity of chosen 1,4-benzodiazepines by 35Cl NQR spectroscopy and DFT calculations

    Science.gov (United States)

    Bronisz, K.; Ostafin, M.; Poleshchuk, O. Kh.; Mielcarek, J.; Nogaj, B.

    2006-11-01

    Selected derivatives of 1,4-benzodiazepine: lorazepam, lormetazepam, oxazepam and temazepam, used as active substances in anxiolytic drugs, have been studied by 35Cl NQR method in order to find the correlation between electronic structure and biological activity. The 35Cl NQR resonance frequencies ( νQ) measured at 77 K have been correlated with the following parameters characterising their biological activity: biological half-life period ( t0.5), affinity to benzodiazepine receptor (IC 50) and mean dose equivalent. The results of experimental study of some benzodiazepine derivatives by nuclear quadrupole resonance of 35Cl nuclei are compared with theoretical results based on DFT calculations which were carried out by means of Gaussian'98 W software.

  2. 35Cl NQR study of lattice dynamic and magnetic property of a crystalline coordination polymer {CuCA(phz)(H 2O) 2} n

    Science.gov (United States)

    Gotoh, Kazuma; Terao, Takeshi; Asaji, Tetsuo

    2007-01-01

    Copper(II) compounds {CuCA(phz)(H 2O) 2} n (H 2CA = chloranilic acid, phz = phenazine) having a layer structure of -CuCA(H 2O) 2- polymer chains and phenazine were studied by 35Cl nuclear quadrupole resonance (NQR). The single NQR line observed at 35.635 MHz at 261.5 K increased to 35.918 MHz at 4.2 K. The degree of reduction of electric field gradient due to lattice vibrations was similar to that of chloranilic acid crystal. Temperature dependence of spin-lattice relaxation time, T1, of the 35Cl NQR signal below 20 K, between 20 and 210 K, and above 210 K, was explained by (1) a decrease of effective electron-spin density caused by antiferromagnetic interaction, (2) a magnetic interaction between Cl nuclear-spin and electron-spins on paramagnetic Cu(II) ions, and (3) an increasing contribution from reorientation of ligand molecules, respectively. The electron spin-exchange parameter ∣ J∣ between the neighboring Cu(II) electrons was estimated to be 0.33 cm -1 from the T1 value of the range 20-210 K. Comparing this value with that of J = -1.84 cm -1 estimated from the magnetic susceptibility, it is suggested that the magnetic dipolar coupling with the electron spins on Cu(II) ions must be the principal mechanism for the 35Cl NQR spin-lattice relaxation of {CuCA(phz)(H 2O) 2} n but a delocalization of electron spin over the chloranilate ligand has to be taken into account.

  3. A systematic study on hydrogen bond interactions in sulfabenzamide: DFT calculations of the N-14, O-17, and H-2 NQR parameters.

    Science.gov (United States)

    Nozad, Ahmad G; Najafi, Hamidreza; Meftah, Sakineh; Aghazadeh, Mustafa

    2009-02-01

    A systematic computational study was carried out to characterize the hydrogen bond, HB, interactions of sulfabenzamide crystal structure by DFT calculations of electric field gradient, EFG, tensors at the sites of 14N, 17O, and 2H nuclei. The computations were performed with the B3LYP and B3PW91 DFT methods and 6-311+G and 6-311++G* standard basis sets using the Gaussian 98 package. To perform the calculations, a hydrogen-bonded heptameric cluster of sulfabenzamide was created by X-ray coordinates where the hydrogen atom positions were optimized and the EFG tensors were calculated for the target molecule. Additional optimization and EFG calculations were also performed for crystalline monomer and an isolated gas-phase sulfabenzamide. The calculated EFG tensors were converted to the experimentally measurable nuclear quadrupole resonance, NQR, parameters: quadrupole coupling constant, C(Q), and asymmetry parameter, eta(Q). The results reveal that the geometrical and NQR parameters of the optimized isolated gas-phase and crystalline phase are different. In addition, the difference between the calculated NQR parameters of the monomer and the target molecule shows how much H-bonding interactions affect the EFG tensors of each nucleus. The evaluated NQR parameters reveal that due to the contribution of the target molecule to N-H...O and C-H...O hydrogen bond interactions, the EFG tensors at the sites of N1, O3 and H1 undergo significant changes from monomer to the target molecule in cluster. These features reveal the major role of N-H...O type intermolecular HBs in cluster model of sulfabenzamide which the presence of these interactions can lead to polymorphism directly related to the drug activity and related properties.

  4. 基于Apollo信号控制台的NQR炸药探测方法%A NQR EXPLOSIVE DETECTING METHOD BASED ON THE APOLLO SIGNAL CONTROLLER

    Institute of Scientific and Technical Information of China (English)

    房旭民; 张国进; 高攀; 徐政; 徐玉清

    2004-01-01

    介绍了一种基于Apollo信号控制台的核四极矩共振(NQR)炸药探测方法, 描述了系统的结构组成、工作原理和实现方法, 并给出了对RDX的测试试验结果.试验表明该方法可实现对RDX信号的探测.

  5. 基于NQR原理的地雷探测技术研究%Research on Mine Detection Technology Based on NQR Principle

    Institute of Scientific and Technical Information of China (English)

    郝国欣; 高攀; 金燕波; 龚亚敏

    2004-01-01

    根据现有地雷探测技术的发展趋势,介绍一种基于原子核电四极矩共振(NQR)原理的探雷技术并描述了NQR探雷技术的原理,应用范围,发展现状,实现方法及其今后的发展方向.

  6. NMR and NQR parameters of the SiC-doped on the (4,4) armchair single-walled BPNT: a computational study.

    Science.gov (United States)

    Baei, Mohammad T; Sayyad-Alangi, S Zahra; Moradi, Ali Varasteh; Torabi, Parviz

    2012-03-01

    The structural properties, NMR and NQR parameters in the pristine and silicon carbide (SiC) doped boron phosphide nanotubes (BPNTs) were calculated using DFT methods (BLYP, B3LYP/6-31G) in order to evaluate the influence of SiC-doped on the (4,4) armchair BPNTs. Nuclear magnetic resonance (NMR) parameters including isotropic (CS(I)) and anisotropic (CS(A)) chemical shielding parameters for the sites of various (13)C, (29)Si, (11)B, and (31)P atoms and quadrupole coupling constant (C ( Q )), and asymmetry parameter (η ( Q )) at the sites of various (11)B nuclei were calculated in pristine and SiC- doped (4,4) armchair boron phosphide nanotubes models. The calculations indicated that doping of (11)B and (31)P atoms by C and Si atoms had a more significant influence on the calculated NMR and NQR parameters than did doping of the B and P atoms by Si and C atoms. In comparison with the pristine model, the SiC- doping in Si(P)C(B) model of the (4,4) armchair BPNTs reduces the energy gaps of the nanotubes and increases their electrical conductance. The NMR results showed that the B and P atoms which are directly bonded to the C atoms in the SiC-doped BPNTs have significant changes in the NMR parameters with respect to the B and P atoms which are directly bonded to the Si atoms in the SiC-doped BPNTs. The NQR results showed that in BPNTs, the B atoms at the edges of nanotubes play dominant roles in determining the electronic behaviors of BPNTs. Also, the NMR and NQR results detect that the Fig. 1b (Si(P)C(B)) model is a more reactive material than the pristine and the Fig. 1a (Si(B)C(p)) models of the (4,4) armchair BPNTs.

  7. Ultra Compact Imaging Spectrometer (UCIS)

    Science.gov (United States)

    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.

  8. Den Unge med Kræft

    DEFF Research Database (Denmark)

    I Den Unge med Kræft beskrives igennem en række artikler et 3-årigt tværfagligt udviklings- og forskningsprojekt på Onkologisk Afdeling D på Århus Universitetshospital. Projektet har involveret mere end 30 fagpersoner fra afdelingens sengeafsnit, ambulatorium, palliative enhed samt afdelingens so...

  9. Quantitative gas analysis with FT-IR

    DEFF Research Database (Denmark)

    Bak, J.; Larsen, A.

    1995-01-01

    Calibration spectra of CO in the 2.38-5100 ppm concentration range (22 spectra) have been measured with a spectral resolution of 4 cm(-1), in the mid-IR (2186-2001 cm(-1)) region, with a Fourier transform infrared (FT-IR) instrument. The multivariate calibration method partial least-squares (PLS1...

  10. FT 3 Flight Test Cards for Export

    Science.gov (United States)

    Marston, Michael L.

    2015-01-01

    These flight test cards will be made available to stakeholders who participated in FT3. NASA entered into the relationship with our stakeholders, including the FAA, to develop requirements that will lead to routine flights of unmanned aircraft systems flying in the national airspace system.

  11. Kvarterløft i Danmark

    DEFF Research Database (Denmark)

    Larsen, Jacob Norvig; Andersen, Hans Skifter

    Regeringens Byudvalg igangsatte i 1996 en ny form for integreret byfornyelse i syv danske byområder, kaldet kvarterløft. Denne rapport indeholder den detaljerede evaluering af, hvad kvarterløftindsatsen har betydet for de syv kvarterers udvikling i perioden frem til 1.1.2002. Der findes desuden e...

  12. LETTER TO THE EDITOR: Non-equivalence of Cu crystal sites in CuGeO3 as evidenced by NQR

    Science.gov (United States)

    Gippius, A. A.; Morozova, E. N.; Khozeev, D. F.; Vasil'ev, A. N.; Baenitz, M.; Dhalenne, G.; Revcolevschi, A.

    2000-02-01

    Nuclear quadrupole resonance results on the inorganic spin-Peierls compound CuGeO3 were re-examined using a single crystal and enhanced resolution. A clear splitting of 63,65 Cu NQR lines of about 250 kHz at 4.2 K was observed. Such a splitting has not been previously seen in Cu NQR spectra measured on polycrystalline samples of CuGeO3 (Itoh M et al 1995 Phys. Rev. B 52 3410, Kikuchi et al 1994 J. Phys. Soc. Japan 63 872). The mean frequency of the Cu doublet is in agreement with the Cu NQR frequency observed on powder samples. The splitting does not disappear with increasing temperature above TsP exhibiting only a slight kink at around 16 K. This points to a non-magnetic origin of the splitting which can be attributed to existence of at least two non-equivalent Cu crystal sites in CuGeO3 structure, as predicted by precise x-ray study and EPR measurements (Hidaka M et al 1997 J. Phys.: Condens. Matter 9 809, Yamada I et al 1996 J. Phys.: Condens. Matter 8 2625).

  13. A DFT Computation for Comparison of NQR of O2, N2 and CO over the Surface of Single-Walled Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    A.S. Ghasemi

    2013-02-01

    Full Text Available In this study we assumed Single-Walled Carbon Nano Tubes (SWCNTs as ideal candidates for various applications of gas sensors due to their amazing physical adsorption properties. The adsorption behavior of selected nitrogen, oxygen and CO molecules on the surface of the Single-Walled Carbon Nano Tubes (SWCNTs was studied by the Density Functional Theory (DFT (B3LYP/6-311G* using the Gaussian 98 software. We studied the Nuclear Quadrupole Resonance (NQR of the armchair (4, 4 SWCNTs with the optimal diameter of 5.6 Å and the length of 9.8 Å. For the first time, DFT calculations were performed to calculate oxygen and nitrogen the interaction of quadrupole moment with Electric Field Gradient (EFG in NQR in the representative considered model of the (N2-CNTs, (O2-CNTs and (CO-CNTs. The evaluated NQR parameters reveal that the EFG tensors of Oxygen-17, Nitrogen-14 and Carbon-13 are influenced and show particular trends from gas molecules in the SWCNTs due to the contribution of N-N, O-O and C-O gas molecules of SWCNTs.

  14. (14)N NQR, (1)H NMR and DFT/QTAIM study of hydrogen bonding and polymorphism in selected solid 1,3,4-thiadiazole derivatives.

    Science.gov (United States)

    Seliger, Janez; Zagar, Veselko; Latosińska, Jolanta N

    2010-10-28

    The 1,3,4-thiadiazole derivatives (2-amino-1,3,4-thiadiazole, acetazolamide, sulfamethizole) have been studied experimentally in the solid state by (1)H-(14)N NQDR spectroscopy and theoretically by Density Functional Theory (DFT). The specific pattern of the intra and intermolecular interactions in 1,3,4-thiadiazole derivatives is described within the QTAIM (Quantum Theory of Atoms in Molecules)/DFT formalism. The results obtained in this work suggest that considerable differences in the NQR parameters permit differentiation even between specific pure association polymorphic forms and indicate that the stronger hydrogen bonds are accompanied by the larger η and smaller ν(-) and e(2)Qq/h values. The degree of π-electron delocalization within the 1,3,4-thiadiazole ring and hydrogen bonds is a result of the interplay between the substituents and can be easily observed as a change in NQR parameters at N atoms. In the absence of X-ray data NQR parameters can clarify the details of crystallographic structure revealing information on intermolecular interactions.

  15. 爆炸物检测中NQR信号的处理及判识%Processing and Identifying NQR Signals in Explosive Detection

    Institute of Scientific and Technical Information of China (English)

    毛云志; 郭华民

    2014-01-01

    介绍了基于核四极矩技术的爆炸物检测原理及信号处理方法。系统分析了NQR信号检测中主要误差来源,提出多种方法消除NQR信号处理中检测误差,主要包括相关累加消除随机噪声;单通道自适应消除振铃影响;相关性检测抑制同频干扰。实验表明相关检测可有效提高NQR信号信噪比,提高微弱NQR信号检测的准确性。%The principles of using nuclear quadrupole resonance (NQR) to detect explosive, as well as the methods of signal processing were introduced. The main error sources of NQR signal detection were analyzed. Several methods are proposed to eliminate the errors:correlation accumulation for eliminating thermal noises;single channel adaptive algorithm for eliminate ringing; and correlation detection to hold radiofrequency interference. The experimental results showed that the signal-to-noise ratio of NQR signals can be improved effectively using correlation detection, resulting in improved accuracy of signal detection.

  16. sup 7 sup 5 As NQR/NMR study of successive phase transitions and energy gap formation in Kondo semiconductor CeRhAs

    CERN Document Server

    Matsumura, M; Takabatake, T; Tsuji, S; Tou, H; Sera, M

    2003-01-01

    sup 7 sup 5 As NQR/NMR studies were performed to investigate the successive phase transitions found recently, the gap formation and their interplay in a Kondo semiconductor CeRhAs. NQR/NMR spectra in their respective phases change, reflecting lattice modulation modes, q sub 1 = (0, 1/2, 1/2), q sub 2 = (0, 1/3, 1/3) and q sub 3 = (1/3, 0, 0). In particular for well-resolved three NQR lines corresponding to the q sub 3 mode in the lowest temperature phase, the nuclear spin-lattice relaxation rate (T sub 1 T) sup - sup 1 shows an activation type T-dependence, suggesting a gap opening over the entire Fermi surface, in contrast to the V-shaped gap in isostructural CeNiSn and CeRhSn. The evaluated gap of 272 K and the bandwidth of about 4000 K are one order of magnitude larger than those in CeNiSn and CeRhSb. A lattice modulation forms a gap different from the V-shaped gap. (author)

  17. FT-IR/ATR法によるコーヒー飲料の赤外分光特性抽出と主要複数成分の同時定量

    OpenAIRE

    橋本, 篤; 森, 久典; 狩野, 幹人; 亀岡, 孝治; 島津, 秀雄; 小林, 香織; Hashimoto, Atsushi; Mori, Hisanori; Kanou, Mikihito; Kameoka, Takaharu; Shimazu, Hideo; Kobayashi, Kaori

    2009-01-01

    We developed a mid-infrared (MIR) spectroscopic evaluation method of brewed coffee, whose quality and taste depend highly on properties such as the geographical origin and the roasting, grinding, blending, and extraction conditions, using an FT-IR spectrometer equipped with an attenuated total reflectance (ATR) accessory. In addition, the simultaneous content determination of the main components of coffee drink was performed by applying the FT-IR/ATR method. We studied the effects of differen...

  18. Portable smartphone optical fibre spectrometer

    Science.gov (United States)

    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.

  19. JPL Fourier transform ultraviolet spectrometer

    Science.gov (United States)

    Cageao, R. P.; Friedl, R. R.; Sander, Stanley P.; Yung, Y. L.

    1994-01-01

    The Fourier Transform Ultraviolet Spectrometer (FTUVS) is a new high resolution interferometric spectrometer for multiple-species detection in the UV, visible and near-IR. As an OH sensor, measurements can be carried out by remote sensing (limb emission and column absorption), or in-situ sensing (long-path absorption or laser-induced fluorescence). As a high resolution detector in a high repetition rate (greater than 10 kHz) LIF system, OH fluorescence can be discriminated against non-resonant background emission and laser scatter, permitting (0, 0) excitation.

  20. Detection of fatty product falsifications using a portable near infrared spectrometer

    Science.gov (United States)

    Kalinin, A. V.; Krasheninnikov, V. N.

    2016-12-01

    Spreading sales of counterfeited fatty-oil foods leads to a development of portable and operational analyzer of typical fatty acids (FA) which may be a near infrared (NIR) spectrometer. In this work the calibration models for prediction of named FA were built with the spectra of FT-NIR spectrometer for different absorption bands of the FA. The best parameters were obtained for the wavelength sub-band 1.0-1.8 μ, which includes the 2nd and 3rd overtones of C-H stretching vibrations (near 1.7 and 1.2 μ) and the combination band (1.42 μ). Applicability of the portable spectrometer based on linear NIR array photosensor for the quality analysis of spread, butter and fish oil by the typical FA has been tested.

  1. Detection of fatty product falsifications using a portable near infrared spectrometer

    Science.gov (United States)

    Kalinin, A. V.; Krasheninnikov, V. N.

    2017-01-01

    Spreading sales of counterfeited fatty-oil foods leads to a development of portable and operational analyzer of typical fatty acids (FA) which may be a near infrared (NIR) spectrometer. In this work the calibration models for prediction of named FA were built with the spectra of FT-NIR spectrometer for different absorption bands of the FA. The best parameters were obtained for the wavelength sub-band 1.0-1.8 μ, which includes the 2nd and 3rd overtones of C-H stretching vibrations (near 1.7 and 1.2 μ) and the combination band (1.42 μ). Applicability of the portable spectrometer based on linear NIR array photosensor for the quality analysis of spread, butter and fish oil by the typical FA has been tested.

  2. A high-throughput neutron spectrometer

    Science.gov (United States)

    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.

  3. An Improved Detection Algorithm for Detection of Weak NQR Signals%一种改进的微弱NQR信号检测算法

    Institute of Scientific and Technical Information of China (English)

    朱凯然; 吴惠阳; 郑纪彬; 苏涛

    2012-01-01

    核四极矩共振(NQR)是一种固态射频谱分析技术,可用于检测高危险爆炸物.然而NQR信号本身非常弱,并且易受线圈的热噪声和外部射频干扰的影响,低信噪比限制了NQR的实际应用.该文提出一种改进的微弱NQR信号检测算法.首先利用Hankel矩阵方式下奇异值分解的方法,有效地抑制射频干扰和噪声,并将NQR信号分离出来.然后提出了一种基于MUSIC谱估计的非线性最小二乘检测器,它既保证了高的频率分辨率,又大大降低了运算量.仿真数据和实测数据结果表明该算法的有效性.%Nuclear quadrupole resonance (NQR) is a solid-state radio frequency (RF) spectroscopic technique allowing the detection of many high explosives. However, the NQR signals are intrinsically weak, and the practical use of NQR is hindered by low signal-to-noise ratio (SNR) , and artifacts arising from the thermal noise of the coil and external radio frequency interference (RFI). In this paper, we described an improved detection algorithm for detection of weak NQR signals. First, singular value decomposition using the Hankel matrix was utilized to restrain RFI and filter noise. A non-linear least squares detector based on the (multiple signal classification) MUSIC spectral estimation was applied, which not only guaranteed a high resolution in the frequency domain, but also led to significant reduction in the amount of computation. The effectiveness of this algorithm was demonstrated with the simulated and experimental results.

  4. Detection of metanil yellow contamination in turmeric using FT-Raman and FT-IR spectroscopy

    Science.gov (United States)

    Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei; Kim, Moon; Schmidt, Walter; Chan, Dian

    2016-05-01

    Turmeric is well known for its medicinal value and is often used in Asian cuisine. Economically motivated contamination of turmeric by chemicals such as metanil yellow has been repeatedly reported. Although traditional technologies can detect such contaminants in food, high operational costs and operational complexities have limited their use to the laboratory. This study used Fourier Transform Raman Spectroscopy (FT-Raman) and Fourier Transform - Infrared Spectroscopy (FT-IR) to identify metanil yellow contamination in turmeric powder. Mixtures of metanil yellow in turmeric were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1% and 0.01% (w/w). The FT-Raman and FT-IR spectral signal of pure turmeric powder, pure metanil yellow powder and the 8 sample mixtures were obtained and analyzed independently to identify metanil yellow contamination in turmeric. The results show that FT-Raman spectroscopy and FT-IR spectroscopy can detect metanil yellow mixed with turmeric at concentrations as low as 1% and 5%, respectively, and may be useful for non-destructive detection of adulterated turmeric powder.

  5. Detection of starch adulteration in onion powder by FT-NIR and FT-IR spectroscopy.

    Science.gov (United States)

    Lohumi, Santosh; Lee, Sangdae; Lee, Wang-Hee; Kim, Moon S; Mo, Changyeun; Bae, Hanhong; Cho, Byoung-Kwan

    2014-09-24

    Adulteration of onion powder with cornstarch was identified by Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy. The reflectance spectra of 180 pure and adulterated samples (1-35 wt % starch) were collected and preprocessed to generate calibration and prediction sets. A multivariate calibration model of partial least-squares regression (PLSR) was executed on the pretreated spectra to predict the presence of starch. The PLSR model predicted adulteration with an R(p)2 of 0.98 and a standard error of prediction (SEP) of 1.18% for the FT-NIR data and an R(p)2 of 0.90 and SEP of 3.12% for the FT-IR data. Thus, the FT-NIR data were of greater predictive value than the FT-IR data. Principal component analysis on the preprocessed data identified the onion powder in terms of added starch. The first three principal component loadings and β coefficients of the PLSR model revealed starch-related absorption. These methods can be applied to rapidly detect adulteration in other spices.

  6. Mid infrared MEMS FTIR spectrometer

    Science.gov (United States)

    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.

  7. The smallsat TIR spectrometer MIBS

    NARCIS (Netherlands)

    Leijtens, J.A.P.; Court, A.J.; Lucas, J.W.

    2005-01-01

    In frame of the ESA Earthcare MSI study, TNO Science and Industry has developed a compact spectrometer which is optimized for operation in the 7 to 14 μm wavelength region. By optimizing the throughput of the system, and using the advantages of modern manufacturing technologies to the largest extend

  8. Inside the ETH spectrometer magnet

    CERN Multimedia

    1974-01-01

    The ETH spectrometer magnet being prepared for experiment S134, which uses a frozen spin polarized target to study the associated production of a kaon and a lambda by negative pions interacting with protons (CERN-ETH, Zurich-Helsinki-Imperial College, London-Southampton Collaboration). (See Photo Archive 7406316)

  9. Alpha proton x ray spectrometer

    Science.gov (United States)

    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.

  10. Inventory Control: Multiport Student Spectrometer.

    Science.gov (United States)

    Bishop, Carl B.

    1989-01-01

    Described is a spectrometer that can be used simultaneously by seven students to observe a single spectrum emitted by an element or compound in a single light tube against a calibrated screen. Included is a list of materials, directions for assembly, and procedures for use. (CW)

  11. Holographic Polytropic f(T Gravity Models

    Directory of Open Access Journals (Sweden)

    Surajit Chattopadhyay

    2015-01-01

    Full Text Available The present paper reports a study on the cosmological consequences arising from reconstructing f(T gravity through new holographic polytropic dark energy. We assume two approaches, namely, a particular form of Hubble parameter H and a solution for f(T. We obtain the deceleration parameter and effective equation of state, as well as torsion equation of state parameters from total density and pressure in both cases. It is interesting to mention here that the deceleration and torsion equation of state represent transition from deceleration to acceleration phase. We study the statefinder parameters under both approaches which result in the fact that statefinder trajectories are found to attain ΛCDM point. The comparison with observational data represents consistent results. Also, we discuss the stability of reconstructed models through squared speed of sound which represents stability in late times.

  12. FT-infrared spectroscopic studies of lymphoma, lymphoid, and myeloid leukemia cell lines

    Science.gov (United States)

    Babrah, Jaspreet; McCarthy, Keith P.; Lush, Richard; Rye, Adam D.; Bessant, Conrad; Stone, Nicholas

    2007-07-01

    This paper presents a novel method to characterise spectral differences that distinguish leukaemia and lymphoma cell lines. This is based on objective spectral measurements of major cellular biochemical constituents and multivariate spectral processing. Fourier transform infrared (FT-IR) maps of the lymphoma, lymphoid and myeloid leukaemia cell samples were obtained using a Perkin-Elmer Spotlight 300 FT-IR imaging spectrometer. Multivariate statistical techniques incorporating principal component analysis (PCA) and linear discriminant analysis (LDA) were used to construct a mathematical model. This model was validated for reproducibility. Multivariate statistical analysis of FTIR spectra collected for each cell sample permit a combination of unsupervised and supervised methods of distinguishing cell line types. This resulted in the clustering of cell line populations, indicating distinct bio-molecular differences. Major spectral differences were observed in the 4000 to 800 cm -1 spectral region. Bands in the averaged spectra for the cell line were assigned to the major biochemical constituents including; proteins, fatty acids, carbohydrates and nucleic acids. The combination of FT-IR spectroscopy and multivariate statistical analysis provides an important insight into the fundamental spectral differences between the cell lines, which differ according to the cellular biochemical composition. These spectral differences can serve as potential biomarkers for the differentiation of leukaemia and lymphoma cells. Consequently these differences could be used as the basis for developing a spectral method for the detection and identification of haematological malignancies.

  13. Molecular cloning and functional analysis of the FLOWERING LOCUS T (FT) homolog GhFT1 from Gossypium hirsutum

    Institute of Scientific and Technical Information of China (English)

    Danli Guo; Chao Li; Rui Dong; Xiaobo Li; Xiangwen Xiao; Xianzhong Huang

    2015-01-01

    FLOWERING LOCUS T (FT) encodes a member of the phosphatidylethanolamine-binding protein (PEBP) family that functions as the mobile floral signal, playing an important role in regulating the floral transition in angiosperms. We isolated an FT-homolog (GhFT1) from Gossypium hirsutum L. cultivar, Xinluzao 33 GhFT1 was predominantly expressed in stamens and sepals, and had a relatively higher expression level during the initiation stage of fiber development. GhFT1 mRNA displayed diurnal oscillations in both long-day and short-day condition, suggesting that the expression of this gene may be under the control of the circadian clock. Subcel ular analysis revealed that GhFT1 protein located in the cytoplasm and nucleus. Ectopic expression of GhFT1 in transgenic arabidopsis plants resulted in early flowering compared with wild-type plants. In addition, ectopic expression of GhFT1 in arabidopsis ft-10 mutants partial y rescued the extremely late flowering phenotype. Finally, several flowering related genes functioning downstream of AtFT were highly upregulated in the 35S::GhFT1 transgenic arabidopsis plants. In summary, GhFT1 is an FT-homologous gene in cotton that regulates flower transition similar to its orthologs in other plant species and thus it may be a candidate target for promoting early maturation in cotton breeding.

  14. Forankring af kvarterløft

    DEFF Research Database (Denmark)

    Mazanti, B.

    . Spørgsmålet er, hvad der skal ske, når et kvarterløft slutter. Skal alle aktiviteterne fortsætte - eller kun nogle af dem? Hvordan sikres det, at de forbedringer som er opnået undervejs, kan vare ved og blive forankret i bydelens lokale miljø? Rapporten analyserer forskellige måder at lægge en strategi...

  15. Petroleomics by EASI(+/-) FT-ICR MS.

    Science.gov (United States)

    Corilo, Yuri E; Vaz, Boniek G; Simas, Rosineide C; Nascimento, Heliara D Lopes; Klitzke, Clécio F; Pereira, Rosana C L; Bastos, Wagner L; Santos Neto, Eugênio V; Rodgers, Ryan P; Eberlin, Marcos N

    2010-05-15

    An ambient ionization/desorption technique, namely, easy ambient sonic-spray ionization mass spectrometry (EASI), has been applied to crude oil samples. From a single droplet of the sample placed on an inert surface, EASI(+/-) is shown to promote efficient desorption and ionization of a myriad of polar components via the action of its cloud of very minute supersonic bipolar charged droplets. The gaseous [M + H](+) and [M - H](-) ions concurrently formed by EASI(+/-) were analyzed by Fourier transform mass spectrometry (FT-ICR MS), and a total of approximately 6000 acidic and basic components have been attributed. EASI(+/-) FT-ICR MS of crude oils is show to be almost as fast as ESI(+)/ESI(-) FT-ICR MS, providing similar compositional information of polar components and spectral quality comparable to that of a commercial nonochip-based robotic ESI device. EASI(+/-) requires no sample workup thus eliminating risks of contamination during sample manipulation and memory effects because of carry over in pumping ESI lines. More importantly, EASI(+/-) is a voltage-free ionization technique therefore eliminating risks of redox processes or duality of ionization mechanisms that can be observed in voltage-assisted processes. Data visualization via typical petroleomic plots confirms the similarity of the compositional information provided by EASI(+/-) compared to ESI(+)/ESI(-). The ambient EASI(+/-) FT-ICR MS method requires no voltage switching in changing the ion polarity mode, offering a workup, heating and voltage-free protocol for petroleomic studies performed at open atmosphere directly on the undisturbed crude oil sample.

  16. Borgerdeltagelse i kvarterløft

    DEFF Research Database (Denmark)

    Larsen, Jacob Norvig

    Rapporten handler om borgerdeltagelse i den første fase af de syv første kvarterløft. Det vil sige det første ca. halvandet år, hvor kvarterløftorganisationen skulle på plads, borgerne skulle mobiliseres og deres idéer og ønsker bringes frem og omsættes til kvarterplaner. Datagrundlaget for analy...

  17. Hydrogen bonding and stacking pi-pi interactions in solid 6-thioguanine and 6-mercaptopurine (antileukemia and antineoplastic drugs) studied by NMR-NQR double resonance spectroscopy and density functional theory.

    Science.gov (United States)

    Latosińska, J N; Seliger, J; Zagar, V; Burchardt, D V

    2009-07-30

    A chemotherapeutic drug 6-thioguanine (2-amino-1,7-dihydro-6H-purine-6-thione, 6-TG) has been studied experimentally in the solid state by NMR-NQR double resonance and theoretically by the density functional theory. Fourteen resonance frequencies on (14)N have been detected and assigned to particular nitrogen sites in the 6-TG molecule. A valid assignment of NQR frequencies for 6-mercaptopurine (6-MP) has been proposed. The effects of molecular aggregations, related to intermolecular hydrogen bonding and stacking pi-pi interactions on the NQR parameters have been analyzed within the DFT and AIM (atoms in molecules) formalism for 6-TG and 6-mercaptopurine (6-MP). The so-called global reactivity descriptors have been calculated to compare the properties of molecules of 6-TG and 6-MP, to check the effect of -NH(2) group as well as to identify the differences in crystal packing.

  18. In Situ Analysis of a High-Temperature Cure Reaction in Real Time Using Modulated Fiber-Optic FT-Raman Spectroscopy

    Science.gov (United States)

    Aust, Jeffrey F.; Cooper, John B.; Wise, Kent L.; Jensen, Brian J.

    1999-01-01

    The vibrational spectrum of a high-temperature (330 C) polymerization reaction was successfully monitored in real time with the use of a modulated fiber-optic Fourier transform (FT)-Raman spectrometer. A phenylethynyl-terminated monomer was cured, and spectral evidence for two different reaction products was acquired. The products are a conjugated polyene chain and a cyclized trimer. This is the first report describing the use of FT-Raman spectroscopy to monitor a high temperature (greater than 250 C) reaction in real time.

  19. Contours, contours 500 ft, Published in 2008, 1:24000 (1in=2000ft) scale, Box Elder County.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:24000 (1in=2000ft) scale, was produced all or in part from Other information as of 2008. It is described as 'contours 500 ft'....

  20. Contours, ft 10 NED contours 2, Published in 2008, 1:24000 (1in=2000ft) scale, Box Elder County.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:24000 (1in=2000ft) scale, was produced all or in part from Other information as of 2008. It is described as 'ft 10 NED contours...

  1. Contours, contours 100 ft, Published in 2008, 1:24000 (1in=2000ft) scale, Box Elder County.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:24000 (1in=2000ft) scale, was produced all or in part from Other information as of 2008. It is described as 'contours 100 ft'....

  2. Contours, contours_2ft, Published in 2007, 1:1200 (1in=100ft) scale, Dodge County, Wisconsin.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:1200 (1in=100ft) scale, was produced all or in part from LIDAR information as of 2007. It is described as 'contours_2ft'. Data...

  3. Contours, ft 10 NED contours 1, Published in 2008, 1:24000 (1in=2000ft) scale, Box Elder County.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:24000 (1in=2000ft) scale, was produced all or in part from Other information as of 2008. It is described as 'ft 10 NED contours...

  4. Contours, contour 500 ft, Published in 2009, 1:24000 (1in=2000ft) scale, Washington County.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:24000 (1in=2000ft) scale, was produced all or in part from Other information as of 2009. It is described as 'contour 500 ft'....

  5. Contours, contour 50 ft, Published in 2009, 1:24000 (1in=2000ft) scale, Washington County.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:24000 (1in=2000ft) scale, was produced all or in part from Other information as of 2009. It is described as 'contour 50 ft'....

  6. Contours, contour 10 ft, Published in 2009, 1:24000 (1in=2000ft) scale, Washington County.

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — This Contours dataset, published at 1:24000 (1in=2000ft) scale, was produced all or in part from Other information as of 2009. It is described as 'contour 10 ft'....

  7. Electron spectrometer for gas-phase spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bozek, J.D.; Schlachter, A.S. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    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.

  8. Advanced Mass Spectrometers for Hydrogen Isotope Analyses

    Energy Technology Data Exchange (ETDEWEB)

    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.

  9. Acquisition of HPLC-Mass Spectrometer

    Science.gov (United States)

    2015-08-18

    31-Jan-2015 Approved for Public Release; Distribution Unlimited Final Report: Acquisition of HPLC -Mass Spectrometer The views, opinions and/or findings...published in peer-reviewed journals: Final Report: Acquisition of HPLC -Mass Spectrometer Report Title The acquisition of the mass spectrometer has been a

  10. New schemes of static mass spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Baisanov, O.A. [Military Institute of Air Defense Forces, Aktobe (Kazakhstan); Doskeyev, G.A. [Aktobe State University named after K. Zhubanov, Aktobe (Kazakhstan); Spivak-Lavrov, I.F., E-mail: baisanov@mail.ru [Aktobe State University named after K. Zhubanov, Aktobe (Kazakhstan)

    2011-07-21

    Different possibilities to increase the 'quality', or Q-quantity, of static mass spectrometers by expanding the ion beam before it enters the magnetic field are analyzed. The design of mass spectrometers using a cone-shaped achromatic prism is discussed. Different variants of achromatic mass spectrometers using electrostatic prisms and sector magnetic fields are also considered.

  11. Effect of hypoproteinemia (HP) upon FT4 and FT3 by kinetic radioligandassay (RLA)

    Energy Technology Data Exchange (ETDEWEB)

    Bottger, I.G.; Schneck, H.J.

    1985-05-01

    HP, especially hypoalbuminemia (HA), has been associated with false low FT4 by RLA, predominantly of the analogue tracer type. Based upon previous more favourable findings in severe nonthyroidal illness (NTI), this study was designed to study this problem in more detail. Two groups of patients with severe NTI (polytrauma) were selected on the basis of their total serum protein (TSP) concentration and studied during intensive-care. Group I: N = 25, TSP<6.0 g/dl (47 - 5.9), albuminen/globulin ratio (A/G): 1.8, sera: N = 42. Group II: N = 32, TSP>5.9 g/dl (6.0 - 7.7), A/G: 1.5, sera: N = 76. I and II: low-dose heparin (i.v. 5000 U/24 h), non-detectable in the periphery. The RLA kits used were: FT4/T4 and FT3/T3 (kinetic two-tube), and TBG, Corning Medical, rT3, Serono, TSH, Henning-Berlin, TSP/electrophoresis standard technique. The findings indicate: 1. Typical findings for follow-up of severe NTI; 2. No detection of a significant effect of HP/HA upon these RLAs for FT4 and FT3; and 3. The inter-group differences are most likely due to more severe NT1 in I (R/sub x/, A/G, rT3).

  12. Holographic Fabry-Perot spectrometer.

    Science.gov (United States)

    Martínez-Matos, O; Rodrigo, José A; Vaveliuk, P; Calvo, M L

    2011-02-15

    We propose a spectrum analyzer based on the properties of a hologram recorded with the field transmitted by a Fabry-Perot etalon. The spectral response of this holographic Fabry-Perot spectrometer (HFPS) is analytically investigated in the paraxial approximation and compared with a conventional Fabry-Perot etalon of similar characteristics. We demonstrate that the resolving power is twice increased and the free spectral range (FSR) is reduced to one-half. The proposed spectrometer could improve the operational performance of the etalon because it can exhibit high efficiency and it would be insensible to environmental conditions such as temperature and vibrations. Our analysis also extends to another variant of the HFPS based on holographic multiplexing of the transmitted field of a Fabry-Perot etalon. This device increases the FSR, keeping the same HFPS performance.

  13. On-Chip Random Spectrometer

    CERN Document Server

    Redding, Brandon; Sarma, Raktim

    2013-01-01

    Light scattering in disordered media has been studied extensively due to its prevalence in natural and artificial systems [1]. In the field of photonics most of the research has focused on understanding and mitigating the effects of scattering, which are often detrimental. For certain applications, however, intentionally introducing disorder can actually improve the device performance, e.g., in photovoltaics optical scattering improves the efficiency of light harvesting [2-5]. Here, we utilize multiple scattering in a random photonic structure to build a compact on-chip spectrometer. The probe signal diffuses through a scattering medium generating wavelength-dependent speckle patterns which can be used to recover the input spectrum after calibration. Multiple scattering increases the optical pathlength by folding the paths in a confined geometry, enhancing the spectral decorrelation of speckle patterns and thus increasing the spectral resolution. By designing and fabricating the spectrometer on a silicon wafe...

  14. On-chip spiral spectrometer

    CERN Document Server

    Redding, Brandon; Bromberg, Yaron; Sarma, Raktim; Cao, Hui

    2016-01-01

    We designed an on-chip spectrometer based on an evanescently-coupled multimode spiral waveguide. Interference between the modes in the waveguide forms a wavelength-dependent speckle pattern which can be used as a fingerprint to identify the input wavelength after calibration. Evanescent coupling between neighboring arms of the spiral enhances the temporal spread of light propagating through the spiral, leading to a dramatic increase in the spectral resolution. Experimentally, we demonstrated that a 250 {\\mu}m radius spiral spectrometer provides a resolution of 0.01 nm at a wavelength of 1520 nm. Spectra containing 40 independent spectral channels can be recovered simultaneously and the operation bandwidth can be increased further when measuring sparse spectra.

  15. Exploiting a Transmission Grating Spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    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.

  16. On-chip plasmonic spectrometer.

    Science.gov (United States)

    Tsur, Yuval; Arie, Ady

    2016-08-01

    We report a numerical and experimental study of an on-chip optical spectrometer, utilizing propagating surface plasmon polaritons in the telecom spectral range. The device is based on two holographic gratings, one for coupling, and the other for decoupling free-space radiation with the surface plasmons. This 800 μm×100 μm on-chip spectrometer resolves 17 channels spectrally separated by 3.1 nm, spanning a freely tunable spectral window, and is based on standard lithography fabrication technology. We propose two potential applications for this new device; the first employs the holographic control over the amplitude and phase of the input spectrum, for intrinsically filtering unwanted frequencies, like pump radiation in Raman spectroscopy. The second prospect utilizes the unique plasmonic field enhancement at the metal-dielectric boundary for the spectral analysis of very small samples (e.g., Mie scatterers) placed between the two gratings.

  17. Enhancement of relaxation rates in the normal state of superconductor PuRhGa{sub 5}:NQR relaxation study

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, H. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)]. E-mail: sakai.hironori@jaea.go.jp; Kambe, S. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Tokunaga, Y. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Fujimoto, T. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Walstedt, R.E. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Yasuoka, H. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Aoki, D. [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Homma, Y. [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Yamamoto, E. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Nakamura, A. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Shiokawa, Y. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Nakajima, K. [Department of Nuclear Energy System, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Arai, Y. [Department of Nuclear Energy System, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Matsuda, T.D. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Haga, Y. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Onuki, Y. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan)

    2007-03-15

    The spin-lattice relaxation rates (1/T{sub 1}) have been measured under zero field using nuclear quadrupole resonance (NQR) lines in superconductor PuRhGa{sub 5} and Pauli-paramagnet LuCoGa{sub 5}. In the reference LuCoGa{sub 5} with fully-occupied 4f shell, the 1/T{sub 1} shows the constant behavior of (T{sub 1}T){sup -1}=0.495+/-0.002(sK){sup -1}. On the other hand, in PuRhGa{sub 5}, 1/T{sub 1} is much larger than in LuCoGa{sub 5} and the 1/T{sub 1}{proportional_to}T behavior below {approx}30K is seen, where its (T{sub 1}T){sup -1} value is 3.27+/-0.005(sK){sup -1}. These results suggest a development of coherent Fermi liquid state incorporated with 5f electrons below {approx}30K in PuRhGa{sub 5}.

  18. Predicting ESR Peaks in Copper (II Chelates Having Quadrupolar Coordinating Sites by NMR, ESR and NQR Techniques: A DFT Study

    Directory of Open Access Journals (Sweden)

    Harminder Singh

    2015-06-01

    Full Text Available Computational chemistry was helpful in predicting the number of ESR peaks in Cu (II complexes having a large number of spatially different NMR and ESR active nuclei. The presence of the large Jahn-Teller effect and the high value of spin-orbit coupling constant of the metal ion made the experimental determination of the exact number of ESR peaks quite difficult in such complexes. Fourteen distorted poly-dentate chelating Cu(II complexes included in this study were of two types such as [Cu(gly2] , [Cu(edta]4-,[Cu(tpyX2] (X= Cl, Br, I, NCS and [Cu(en2]2+, [Cu(teta]2+, Cu(tepa]2+ ,[Cu(peha]2+, [Cu(detaX2] (X= Cl, Br, I, NCS.The latter eight complexes belonged to an important class of ligands called polyethylene polyamines. Density functional theory implemented in ADF: 2010.02 was applied. Three parameters of both the ESR (A ten and NQR (NQCC, for the Cu(II and the coordinating atoms of the ligands were obtained from “ESR/EPR program” and two NMR parameters namely the shielding constants (σ and chemical shifts (δ were obtained from “NMR/EPR program” after optimization of the complexes. The species having the same values of these 5 parameters were expected to be spatially equivalent to undergo the same hyperfine interaction with Cu (II.

  19. Electronic properties of Y-Ba-Cu-O superconductors as seen by Cu and O NMR/NQR

    Science.gov (United States)

    Brinkmann, D.

    1995-01-01

    Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) allow the investigation of electronic properties at the atomic level. We will report on such studies of typical members of the the Y-Ba-Cu-O family such as YBa2Cu30(6 + x) (1-2-3-(6 + x)), YBa2Cu4O8 (1-2-4) and Y2Ba4Cu7015 (2-4-7) with many examples of recent work performed in our laboratory. In particular, we will deal with Knight shift and relaxation studies of copper and oxygen. We will discuss important issues of current studies such as: (1) Existence of a common electronic spin-susceptibility in the planes (and perhaps in the chains) of 1-2-4; (2) Strong evidence for the existence of a pseudo spin-gap of the antiferromagnetic fluctuations in 1-2-4 and 2-4-7; (3) Evidence for d-wave pairing in 1-2-4; (4) Strong coupling of inequivalent Cu-O planes in 2-4-7 and possible origin for the high Tc value of this compound; and (5) The possibility to describe NMR data in the framework of a charge-excitation picture.

  20. Successive magnetic transition in non-centrosymmetric CeCoGe{sub 3} probed by Co-NQR

    Energy Technology Data Exchange (ETDEWEB)

    Matsumura, M; Sato, Y; Mizoo, M; Kawamura, Y; Kato, H; Nishioka, T, E-mail: matumura@cc.kochi-u.ac.jp [Graduate School of Integrated Arts and Sciences, Kochi University, Kochi 780-8520 (Japan)

    2011-01-01

    Co-NQR measurements for non-centrosymmetric superconductor CeCoGe{sub 3} have been performed in ambient and under pressure up to 1.5 GPa to investigate the magnetic structures for the successive magnetic transition at T{sub N1}=21 K, T{sub N2}=12 K and T{sub N3}=8 K. In ambient pressure, the crystallographically equivalent one Co site becomes three sites at T{sub N1} > T > T{sub N2}, and further becomes four sites at T{sub N2} > T. Applying pressure at 4.2 K, the four Co sites becomes two sites above 0.3 Gpa. These Co sites acquire slightly different internal field parallel to the c-axis, consistent with the anisotropic magnetization with easy c-axis. The T-dependences of the internal fields and the spectral weights for respective sites are estimated. The magnetic structure in each phase is discussed referring to the recent results of neutron scattering.

  1. Crystal structure, hydrogen bonding, and {sup 81}Br NQR of low-temperature phase of 4-aminopyridinium tetrabromoantimonate (3)

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, Masao [Kobe Univ., Faculty of Science, Dept. of Chemistry, Kobe, Hyogo (Japan); Terao, Hiromitsu [Tokushima Univ., Faculty of Integrated Arts and Sciences, Dept. of Chemistry, Tokushima (Japan); Fuess, Hartmut; Svoboda, Ingrid; Ehrenberg, Helmut [Darmstadt Univ. of Technology, Inst. for Materials Science, Darmstadt (Germany)

    2003-04-01

    The crystal structure of the low-temperature phase (LTP) of the title compound was determined at 220 K (monoclinic, P2{sub 1/c}). The 4-aminopyridinium cations (4-NH{sub 2}C{sub 5}H{sub 4}NH{sup +}) were found to be ordered in LTP, while being severely disordered in the room-temperature phase (monoclinic, C2/c). The tetrabromoantimonate anions (SbBr{sub 4}{sup -}) were incorporated into the infinite polyanion chains of irregular SbBr{sub 6} octahedra with two-edges sharing. The trans-Br-Sb-Br moiety in the SbBr{sub 4}{sup -} anion was approximately symmetric differing from the asymmetric Br-Sb{center_dot}{center_dot}{center_dot}Br moiety found in LTP of pyridinium tetrabromoantimonate (3). The N-H moieties in both of the pyridine ring and the amino (-NH{sub 2}) group participate in the formation of N-H{center_dot}{center_dot}{center_dot}Br hydrogen bonds. It was shown that the {sup 81}Br NQR spectrum of LTP is closely related to the anion structure and the hydrogen bonds. The distinctive anion structures, as well as the different types of phase transitions, exhibited by the PyH and 4-APyH salts, seemed to be attributable to the difference in the hydrogen bond scheme between them. (author)

  2. Variable filter array spectrometer of VPD PbSe

    Science.gov (United States)

    Linares-Herrero, R.; Vergara, G.; Gutiérrez-Álvarez, R.; Fernández-Montojo, C.; Gómez, L. J.; Villamayor, V.; Baldasano-Ramírez, A.; Montojo, M. T.

    2012-06-01

    MWIR spectroscopy shows a large potential in the current IR devices market, due to its multiple applications (gas detection, chemical analysis, industrial monitoring, combustion and flame characterization, food packaging etc) and its outstanding performance (good sensitivity, NDT method, velocity of response, among others), opening this technique to very diverse fields of application, such as industrial monitoring and control, agriculture, medicine and environmental monitoring. However, even though a big interest on MWIR spectroscopy technique has been present in the last years, two major barriers have held it back from its widespread use outside the laboratory: the complexity and delicateness of some popular techniques such as Fourier-transform IR (FT-IR) spectrometers, and the lack of affordable specific key elements such a MWIR light sources and low cost (real uncooled) detectors. Recent developments in electrooptical components are helping to overcome these drawbacks. The need for simpler solutions for analytical measurements has prompted the development of better and more affordable uncooled MWIR detectors, electronics and optics. In this paper a new MWIR spectrometry device is presented. Based on linear arrays of different geometries (64, 128 and 256 elements), NIT has developed a MWIR Variable Filter Array Spectrometer (VFAS). This compact device, with no moving parts, based on a rugged and affordable detector, is suitable to be used in applications which demand high sensitivity, good spectral discrimination, reliability and compactness, and where an alternative to the traditional scanning instrument is desired. Some measurements carried out for several industries will be also presented.

  3. Light bending in $f(T)$ gravity

    CERN Document Server

    Ruggiero, Matteo Luca

    2016-01-01

    In the framework of $f(T)$ gravity, we focus on a weak-field and spherically symmetric solution for the Lagrangian $f(T)=T+\\alpha T^{2}$, where $\\alpha$ is a small constant which parameterizes the departure from General Relativity. In particular, we study the propagation of light and obtain the correction to the general relativistic bending angle. Moreover, we discuss the impact of this correction on some gravitational lensing observables, and evaluate the possibility of constraining the theory parameter $\\alpha$ by means of observations.

  4. Development of modified FT (MFT) process

    Energy Technology Data Exchange (ETDEWEB)

    Jinglai Zhou; Zhixin Zhang; Wenjie Shen [Institute of Coal Chemistry, Taiyuan (China)] [and others

    1995-12-31

    Two-Stage Modified FT (MFT) process has been developed for producing high-octane gasoline from coal-based syngas. The main R&D are focused on the development of catalysts and technologies process. Duration tests were finished in the single-tube reactor, pilot plant (100T/Y), and industrial demonstration plant (2000T/Y). A series of satisfactory results has been obtained in terms of operating reliability of equipments, performance of catalysts, purification of coal - based syngas, optimum operating conditions, properties of gasoline and economics etc. Further scaling - up commercial plant is being considered.

  5. Characteristics of asphalt mixes with FT additive

    Science.gov (United States)

    Štefunková, S.

    2012-03-01

    This article is focused on low-temperature asphalt mixture technologies using FT additive and RAP. The modern production and use of asphalt mixture technologies with reduced temperatures has many advantages. These advantages mainly help to save energy and the environment. Lower temperatures enable a reduction in energy consumption, a more acceptable working environment for workers, a reduction in negative environmental effects, such as greenhouse gas emissions, and an improvement in the workability of mixtures and a prolongation of their duration. This technology is currently becoming popular in many countries.

  6. Ion Mobility Spectrometer / Mass Spectrometer (IMS-MS).

    Energy Technology Data Exchange (ETDEWEB)

    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

  7. Ion mobility spectrometer / mass spectrometer (IMS-MS).

    Energy Technology Data Exchange (ETDEWEB)

    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.

  8. A study of transition-metal organometallic complexes combining 35Cl solid-state NMR spectroscopy and 35Cl NQR spectroscopy and first-principles DFT calculations.

    Science.gov (United States)

    Johnston, Karen E; O'Keefe, Christopher A; Gauvin, Régis M; Trébosc, Julien; Delevoye, Laurent; Amoureux, Jean-Paul; Popoff, Nicolas; Taoufik, Mostafa; Oudatchin, Konstantin; Schurko, Robert W

    2013-09-09

    A series of transition-metal organometallic complexes with commonly occurring metal-chlorine bonding motifs were characterized using (35)Cl solid-state NMR (SSNMR) spectroscopy, (35)Cl nuclear quadrupole resonance (NQR) spectroscopy, and first-principles density functional theory (DFT) calculations of NMR interaction tensors. Static (35)Cl ultra-wideline NMR spectra were acquired in a piecewise manner at standard (9.4 T) and high (21.1 T) magnetic field strengths using the WURST-QCPMG pulse sequence. The (35)Cl electric field gradient (EFG) and chemical shielding (CS) tensor parameters were readily extracted from analytical simulations of the spectra; in particular, the quadrupolar parameters are shown to be very sensitive to structural differences, and can easily differentiate between chlorine atoms in bridging and terminal bonding environments. (35)Cl NQR spectra were acquired for many of the complexes, which aided in resolving structurally similar, yet crystallographically distinct and magnetically inequivalent chlorine sites, and with the interpretation and assignment of (35)Cl SSNMR spectra. (35)Cl EFG tensors obtained from first-principles DFT calculations are consistently in good agreement with experiment, highlighting the importance of using a combined approach of theoretical and experimental methods for structural characterization. Finally, a preliminary example of a (35)Cl SSNMR spectrum of a transition-metal species (TiCl4) diluted and supported on non-porous silica is presented. The combination of (35)Cl SSNMR and (35)Cl NQR spectroscopy and DFT calculations is shown to be a promising and simple methodology for the characterization of all manner of chlorine-containing transition-metal complexes, in pure, impure bulk and supported forms.

  9. Off-resonance effects in (14)N NQR signals from the pulsed spin-locking (PSL) and three-pulse echo sequence; a study for monoclinic TNT.

    Science.gov (United States)

    Smith, John A S; Rowe, Michael D; Althoefer, Kaspar; Peirson, Neil F; Barras, Jamie

    2015-10-01

    In NQR detection applications signal averaging by the summation of rapidly regenerated signals from multiple pulse sequences of the pulsed spin-locking (PSL) type is often used to improve sensitivity. It is important to characterise and if possible minimise PSL sequence off-resonance effects since they can make it difficult to optimise detection performance. We illustrate this with measurements of the variation of the decay time T2e and the amplitude of PSL signal trains with pulse spacing and excitation offset frequency for the 870 kHz ν+(14)N NQR line of monoclinic TNT under carefully stabilised temperature conditions. We have also carried out a similar study of signals from monoclinic TNT and 1H-1,2,3-triazole generated by a three-pulse echo sequence and the results are shown to agree well with a theoretical treatment appropriate to polycrystalline NQR samples such as TNT for which spin I=1, asymmetry parameter η≠0 and T1≫T2. Based on this theory we derive simple models for calculating TNT PSL signal trains and hence the pulse spacing and off-resonance dependence of signal amplitude and T2e which we compare to our experimental data. We discuss the influence of PSL echo summation on off-resonance effects in detected signal intensity and show how a phase-alternated multiple pulse sequence can be used in combination with the PSL sequence to eliminate variation in detection performance due to off-resonance effects.

  10. A Feasibility Study on Monitoring Residual Sugar and Alcohol Strength in Kiwi Wine Fermentation Using a Fiber-Optic FT-NIR Spectrometry and PLS Regression.

    Science.gov (United States)

    Wang, Bingqian; Peng, Bangzhu

    2017-02-01

    This work aims to investigate the potential of fiber-optic Fourier transform-near-infrared (FT-NIR) spectrometry associated with chemometric analysis, which will be applied to monitor time-related changes in residual sugar and alcohol strength during kiwi wine fermentation. NIR calibration models for residual sugar and alcohol strength during kiwi wine fermentation were established on the FT-NIR spectra of 98 samples scanned in a fiber-optic FT-NIR spectrometer, and partial least squares regression method. The results showed that R(2) and root mean square error of cross-validation could achieve 0.982 and 3.81 g/L for residual sugar, and 0.984 and 0.34% for alcohol strength, respectively. Furthermore, crucial process information on kiwi must and wine fermentations provided by fiber-optic FT-NIR spectrometry was found to agree with those obtained from traditional chemical methods, and therefore this fiber-optic FT-NIR spectrometry can be applied as an effective and suitable alternative for analyses and monitoring of those processes. The overall results suggested that fiber-optic FT-NIR spectrometry is a promising tool for monitoring and controlling the kiwi wine fermentation process.

  11. Research and Design for Probe in NQR Landmine Detection System%NQR地雷探测系统中探头的研究与设计

    Institute of Scientific and Technical Information of China (English)

    罗旻; 周新建; 郝国欣

    2015-01-01

    通过谐振电路模型介绍了利用核四极矩共振(NQR)技术探测地雷的系统中探头的组成形式,通过公式推导出探头的谐振频率和输入阻抗,并简单说明了探头谐振回路Q值的计算方法,明确了探头各支路电容与采样天线的数值搭配关系,确保了天线回路的高Q值.

  12. Research in Planargrad Coil of Explosives Detection Based on NQR Technology%NQR方法中平面型天线探测爆炸物研究

    Institute of Scientific and Technical Information of China (English)

    李康宁; 李兴; 张向阳; 田利军; 俞硕

    2010-01-01

    为增加基于核四极矩共振(NQR)技术探测爆炸物的手段,对爆炸物探测系统中的天线进行了研究,并确定了平面型天线的形状、尺寸以及探测方法.实际测试表明,探测结果准确,试验结果也将对研究便携式爆炸物探测装置以及军事探雷等实际应用具有指导意义.

  13. SWiFT site atmospheric characterization

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, Christopher Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ennis, Brandon Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-01-01

    Historical meteorological tall tower data are analyzed from the Texas Tech University 200 m tower to characterize the atmospheric trends of the Scaled Wind Farm Technologies (SWiFT) site. In this report the data are analyzed to reveal bulk atmospheric trends, temporal trends and correlations of atmospheric variables. Through this analysis for the SWiFT turbines the site International Electrotechnical Commission (IEC) classification is determined to be class III-C. Averages and distributions of atmospheric variables are shown, revealing large fluctuations and the importance of understanding the actual site trends as opposed to simply using averages. The site is significantly directional with the average wind speed from the south, and particularly so in summer and fall. Site temporal trends are analyzed from both seasonal (time of the year) to daily (hour of the day) perspectives. Atmospheric stability is seen to vary most with time of day and less with time of year. Turbulence intensity is highly correlated with stability, and typical daytime unstable conditions see double the level of turbulence intensity versus that experienced during the average stable night. Shear, veer and atmospheric stability correlations are shown, where shear and veer are both highest for stable atmospheric conditions. An analysis of the Texas Tech University tower anemometer measurements is performed which reveals the extent of the tower shadow effects and sonic tilt misalignment.

  14. Theoretical (DFT) and experimental (FT-IR, FT-Raman, FT-NMR) investigations on 7-Acetoxy-4-(bromomethyl)coumarin

    Science.gov (United States)

    Erdogdu, Y.; Saglam, S.; Dereli, Ö.

    2015-09-01

    An analysis of the results of the structural and spectroscopic studies of 7-Acetoxy-4-(bromomethyl) coumarin (7A4BMC) molecule were performed by FT-IR, FT-Raman, FT-NMR and quantum chemical calculations. The FT-IR and FT-Raman spectra of 7A4BMC were recorded in the 400-4000 and 50-3500 cm-1 region, respectively. The molecular conformations of 7A4BMC were computed at the B3LYP/6-311++G(d,p) level of theory. Molecular structure and spectral calculations were calculated by means of B3LYP with 6-311++G(d,p), cc-pVDZ and cc-pVTZ basis sets. The whole vibrational characteristics of the 7A4BMC molecule are given.

  15. The Pickup Ion Composition Spectrometer

    Science.gov (United States)

    Gilbert, Jason A.; Zurbuchen, Thomas H.; Battel, Steven

    2016-06-01

    Observations of newly ionized atoms that are picked up by the magnetic field in the expanding solar wind contain crucial information about the gas or dust compositions of their origins. The pickup ions (PUIs) are collected by plasma mass spectrometers and analyzed for their density, composition, and velocity distribution. In addition to measurements of PUIs from planetary sources, in situ measurements of interstellar gas have been made possible by spectrometers capable of differentiating between heavy ions of solar and interstellar origin. While important research has been done on these often singly charged ions, the instruments that have detected many of them were designed for the energy range and ionic charge states of the solar wind and energized particle populations, and not for pickup ions. An instrument optimized for the complete energy and time-of-flight characterization of pickup ions will unlock a wealth of data on these hitherto unobserved or unresolved PUI species. The Pickup Ion Composition Spectrometer (PICSpec) is one such instrument and can enable the next generation of pickup ion and isotopic mass composition measurements. By combining a large-gap time-of-flight-energy sensor with a -100 kV high-voltage power supply for ion acceleration, PUIs will not only be above the detection threshold of traditional solid-state energy detectors but also be resolved sufficiently in time of flight that isotopic composition can be determined. This technology will lead to a new generation of space composition instruments, optimized for measurements of both heliospheric and planetary pickup ions.

  16. The Alpha Magnetic Spectrometer (AMS)

    Energy Technology Data Exchange (ETDEWEB)

    Alcaraz, J.; Alpat, B.; Ambrosi, G.; Anderhub, H.; Ao, L.; Arefiev, A.; Azzarello, P.; Babucci, E.; Baldini, L.; Basile, M.; Barancourt, D.; Barao, F.; Barbier, G.; Barreira, G.; Battiston, R.; Becker, R.; Becker, U.; Bellagamba, L.; Bene, P.; Berdugo, J.; Berges, P.; Bertucci, B.; Biland, A.; Bizzaglia, S.; Blasko, S.; Boella, G.; Boschini, M.; Bourquin, M.; Brocco, L.; Bruni, G.; Buenerd, M.; Burger, J.D.; Burger, W.J.; Cai, X.D.; Camps, C.; Cannarsa, P.; Capell, M.; Casadei, D.; Casaus, J.; Castellini, G.; Cecchi, C.; Chang, Y.H.; Chen, H.F.; Chen, H.S.; Chen, Z.G.; Chernoplekov, N.A.; Chiueh, T.H.; Chuang, Y.L.; Cindolo, F.; Commichau, V.; Contin, A. E-mail: contin@bo.infn.it; Crespo, P.; Cristinziani, M.; Cunha, J.P. da; Dai, T.S.; Deus, J.D.; Dinu, N.; Djambazov, L.; DAntone, I.; Dong, Z.R.; Emonet, P.; Engelberg, J.; Eppling, F.J.; Eronen, T.; Esposito, G.; Extermann, P.; Favier, J.; Fiandrini, E.; Fisher, P.H.; Fluegge, G.; Fouque, N.; Galaktionov, Yu.; Gervasi, M.; Giusti, P.; Grandi, D.; Grimm, O.; Gu, W.Q.; Hangarter, K.; Hasan, A.; Hermel, V.; Hofer, H.; Huang, M.A.; Hungerford, W.; Ionica, M.; Ionica, R.; Jongmanns, M.; Karlamaa, K.; Karpinski, W.; Kenney, G.; Kenny, J.; Kim, W.; Klimentov, A.; Kossakowski, R.; Koutsenko, V.; Kraeber, M.; Laborie, G.; Laitinen, T.; Lamanna, G.; Laurenti, G.; Lebedev, A.; Lee, S.C.; Levi, G.; Levtchenko, P.; Liu, C.L.; Liu, H.T.; Lopes, I.; Lu, G.; Lu, Y.S.; Luebelsmeyer, K.; Luckey, D.; Lustermann, W.; Mana, C.; Margotti, A.; Mayet, F.; McNeil, R.R.; Meillon, B.; Menichelli, M.; Mihul, A.; Mourao, A.; Mujunen, A.; Palmonari, F.; Papi, A.; Park, I.H.; Pauluzzi, M.; Pauss, F.; Perrin, E.; Pesci, A.; Pevsner, A.; Pimenta, M.; Plyaskin, V.; Pojidaev, V.; Postolache, V.; Produit, N.; Rancoita, P.G.; Rapin, D.; Raupach, F.; Ren, D.; Ren, Z.; Ribordy, M.; Richeux, J.P.; Riihonen, E.; Ritakari, J.; Roeser, U.; Roissin, C.; Sagdeev, R.; Sartorelli, G.; Schultz von Dratzig, A.; Schwering, G.; Scolieri, G.; Seo, E.S.; Shoutko, V.

    2002-02-01

    The Alpha Magnetic Spectrometer (AMS) is a large acceptance (0.65 sr m{sup 2}) detector designed to operate in the International Space Station (ISS) for three years. The purposes of the experiment are to search for cosmic antimatter and dark matter and to study the composition and energy spectrum of the primary cosmic rays. A 'scaled-down' version has been flown on the Space Shuttle Discovery for 10 days in June 1998. The complete AMS is programmed for installation on the ISS in October 2003 for an operational period of 3 yr. This contribution reports on the experimental configuration that will be installed on the ISS.

  17. The Alpha Magnetic Spectrometer (AMS)

    CERN Document Server

    Alcaraz, J; Ambrosi, G; Anderhub, H; Ao, L; Arefev, A; Azzarello, P; Babucci, E; Baldini, L; Basile, M; Barancourt, D; Barão, F; Barbier, G; Barreira, G; Battiston, R; Becker, R; Becker, U; Bellagamba, L; Bene, P; Berdugo, J; Berges, P; Bertucci, B; Biland, A; Bizzaglia, S; Blasko, S; Bölla, G; Boschini, M; Bourquin, Maurice; Brocco, L; Bruni, G; Buénerd, M; Burger, J D; Burger, W J; Cai, X D; Camps, C; Cannarsa, P; Capell, M; Casadei, D; Casaus, J; Castellini, G; Cecchi, C; Chang, Y H; Chen, H F; Chen, H S; Chen, Z G; Chernoplekov, N A; Tzi Hong Chiueh; Chuang, Y L; Cindolo, F; Commichau, V; Contin, A; Crespo, P; Cristinziani, M; Cunha, J P D; Dai, T S; Deus, J D; Dinu, N; Djambazov, L; Dantone, I; Dong, Z R; Emonet, P; Engelberg, J; Eppling, F J; Eronen, T; Esposito, G; Extermann, P; Favier, Jean; Fiandrini, E; Fisher, P H; Flügge, G; Fouque, N; Galaktionov, Yu; Gervasi, M; Giusti, P; Grandi, D; Grimm, O; Gu, W Q; Hangarter, K; Hasan, A; Hermel, V; Hofer, H; Huang, M A; Hungerford, W; Ionica, M; Ionica, R; Jongmanns, M; Karlamaa, K; Karpinski, W; Kenney, G; Kenny, J; Kim, W; Klimentov, A; Kossakowski, R; Koutsenko, V F; Kraeber, M; Laborie, G; Laitinen, T; Lamanna, G; Laurenti, G; Lebedev, A; Lee, S C; Levi, G; Levchenko, P M; Liu, C L; Liu, H T; Lopes, I; Lu, G; Lü, Y S; Lübelsmeyer, K; Luckey, D; Lustermann, W; Maña, C; Margotti, A; Mayet, F; McNeil, R R; Meillon, B; Menichelli, M; Mihul, A; Mourao, A; Mujunen, A; Palmonari, F; Papi, A; Park, I H; Pauluzzi, M; Pauss, Felicitas; Perrin, E; Pesci, A; Pevsner, A; Pimenta, M; Plyaskin, V; Pozhidaev, V; Postolache, V; Produit, N; Rancoita, P G; Rapin, D; Raupach, F; Ren, D; Ren, Z; Ribordy, M; Richeux, J P; Riihonen, E; Ritakari, J; Röser, U; Roissin, C; Sagdeev, R; Sartorelli, G; Schwering, G; Scolieri, G; Seo, E S; Shoutko, V; Shoumilov, E; Siedling, R; Son, D; Song, T; Steuer, M; Sun, G S; Suter, H; Tang, X W; Ting, Samuel C C; Ting, S M; Tornikoski, M; Torsti, J; Ulbricht, J; Urpo, S; Usoskin, I; Valtonen, E; Vandenhirtz, J; Velcea, F; Velikhov, E P; Verlaat, B; Vetlitskii, I; Vezzu, F; Vialle, J P; Viertel, Gert M; Vitè, Davide F; Gunten, H V; Wallraff, W; Wang, B C; Wang, J Z; Wang, Y H; Wiik, K; Williams, C; Wu, S X; Xia, P C; Yan, J L; Yan, L G; Yang, C G; Yang, M; Ye, S W; Yeh, P; Xu, Z Z; Zhang, H Y; Zhang, Z P; Zhao, D X; Zhu, G Y; Zhu, W Z; Zhuang, H L; Zichichi, A; Zimmermann, B

    2002-01-01

    The Alpha Magnetic Spectrometer (AMS) is a large acceptance (0.65 sr m sup 2) detector designed to operate in the International Space Station (ISS) for three years. The purposes of the experiment are to search for cosmic antimatter and dark matter and to study the composition and energy spectrum of the primary cosmic rays. A 'scaled-down' version has been flown on the Space Shuttle Discovery for 10 days in June 1998. The complete AMS is programmed for installation on the ISS in October 2003 for an operational period of 3 yr. This contribution reports on the experimental configuration that will be installed on the ISS.

  18. Static Fourier transform infrared spectrometer.

    Science.gov (United States)

    Schardt, Michael; Murr, Patrik J; Rauscher, Markus S; Tremmel, Anton J; Wiesent, Benjamin R; Koch, Alexander W

    2016-04-01

    Fourier transform spectroscopy has established itself as the standard method for spectral analysis of infrared light. Here we present a robust and compact novel static Fourier transform spectrometer design without any moving parts. The design is well suited for measurements in the infrared as it works with extended light sources independent of their size. The design is experimentally evaluated in the mid-infrared wavelength region between 7.2 μm and 16 μm. Due to its large etendue, its low internal light loss, and its static design it enables high speed spectral analysis in the mid-infrared.

  19. Fourier-Transform Infrared Spectrometer

    Science.gov (United States)

    Schindler, R. A.

    1986-01-01

    Fourier-transform spectrometer provides approximately hundredfold increase in luminosity at detector plane over that achievable with older instruments of this type. Used to analyze such weak sources as pollutants and other low-concentration substances in atmosphere. Interferometer creates fringe patterns on two distinct arrays of light detectors, which observe different wavelength bands. Objective lens focuses scene on image plane, which contains optical chopper. To make instrument less susceptible to variations in scene under observation, field and detector lenses focus entrance aperture, rather that image, onto detector array.

  20. Monomer conversion of composite dental resins photoactivated by a halogen lamp and a LED: a FT-Raman spectroscopy study

    Directory of Open Access Journals (Sweden)

    Luís Eduardo Silva Soares

    2005-03-01

    Full Text Available Eighteen circular blocks of resins cured either by a LED or a halogen lamp (20, 40 and 60 s, had their top (T and bottom (B surfaces studied using a FT-Raman spectrometer. Systematic changes in the intensity of the methacrylate C=C stretching mode at 1638 cm-1 as a function of exposure duration were observed. The calculated degree of conversion (DC ranged from 45.0% (B to 52.0% (T and from 49.0% (B to 55.0% (T for the LED and halogen lamp, respectively. LED and halogen light produced similar DC values with 40 and 60 s of irradiation.

  1. Investigation of C-H...O=C and N-H...OC hydrogen-bonding interactions in crystalline thymine by DFT calculations of O-17, N-14 and H-2 NQR parameters.

    Science.gov (United States)

    Mirzaei, Mahmoud; Hadipour, Nasser L; Ahmadi, Kamran

    2007-02-01

    A computational study at the level of density functional theory (DFT) was carried out to investigate C-H...O=C and N-H...O=C hydrogen-bonding interactions (HBs) in the real crystalline cluster of thymine by O-17, N-14 and H-2 calculated nuclear quadrupole resonance (NQR) parameters. To perform the calculations, a hydrogen-bonded pentameric cluster of thymine was created using X-ray coordinates where the hydrogen atoms positions are optimized and the electric field gradient (EFG) tensors were calculated for the target molecule. Additional EFG calculations were also performed for crystalline monomer and an optimized isolated gas-phase thymine. The calculated EFG tensors at the level of B3LYP and B3PW91 DFT methods and 6-311++G**and CC-pVTZ basis sets were converted to those experimentally measurable NQR parameters, quadrupole coupling constants and asymmetry parameters. The results reveal that because of strong contribution to N-H...O=C HBs, NQR parameters of O2, N1 and N3 undergo significant changes from monomer to the target molecule in cluster. Furthermore, the NQR parameters of O2 also undergo some changes because of non-classical C-H...O=C HBs.

  2. Photonic bandgap fiber bundle spectrometer

    CERN Document Server

    Hang, Qu; Syed, Imran; Guo, Ning; Skorobogatiy, Maksim

    2010-01-01

    We experimentally demonstrate an all-fiber spectrometer consisting of a photonic bandgap fiber bundle and a black and white CCD camera. Photonic crystal fibers used in this work are the large solid core all-plastic Bragg fibers designed for operation in the visible spectral range and featuring bandgaps of 60nm - 180nm-wide. 100 Bragg fibers were chosen to have complimentary and partially overlapping bandgaps covering a 400nm-840nm spectral range. The fiber bundle used in our work is equivalent in its function to a set of 100 optical filters densely packed in the area of ~1cm2. Black and white CCD camera is then used to capture spectrally "binned" image of the incoming light at the output facet of a fiber bundle. To reconstruct the test spectrum from a single CCD image we developed an algorithm based on pseudo-inversion of the spectrometer transmission matrix. We then study resolution limit of this spectroscopic system by testing its performance using spectrally narrow test peaks (FWHM 5nm-25nm) centered at va...

  3. Fourier transform two-dimensional fluorescence excitation spectrometer by using tandem Fabry-Pérot interferometer.

    Science.gov (United States)

    Anzai, Hiroshi; Joshi, Neeraj Kumar; Fuyuki, Masanori; Wada, Akihide

    2015-01-01

    A Fourier transform two-dimensional fluorescence excitation spectrometer (FT-2DFES) was developed based on the multiplex technique using a tandem Fabry-Pérot interferometer (tandem FPI). In addition to the advantage of the multiplex technique, the main advantage of the tandem FPI is applicable to the modulation of transition with a large absorption bandwidth (larger than 100 nm) and is thus applicable to the modulation of the excitation of molecules in the condensed phase. As a demonstration of the effectiveness of FT-2DFES, we succeeded in separately observing the fluorescence excitation peaks from a mixed methanol solution of laser dyes (coumarin 480, rhodamine 6G, DCM (4-dicyanomethylene-2-methyl-6-(p-(dimethylamino)styryl)-4H-pyran), and LDS750). Furthermore, the energy transfer from rhodamine 6G to LDS750 was observed.

  4. Cosmological Issues in $F(T)$ Gravity Theory

    CERN Document Server

    Bamba, Kazuharu

    2015-01-01

    We review recent developments on cosmology in extended teleparallel gravity, called "$F(T)$ gravity" with $T$ the torsion scalar in teleparallelism. We explore various cosmological aspects of $F(T)$ gravity including the evolution of the equation of state for the universe, finite-time future singularities, thermodynamics, and four-dimensional effective $F(T)$ gravity theories coming from the higher-dimensional Kaluza-Klein (KK) and Randall-Sundrum (RS) theories.

  5. Top-Down Mass Spectrometry Imaging of Intact Proteins by LAESI FT-ICR MS

    CERN Document Server

    Kiss, András; Reschke, Brent R; Powell, Matthew J; Heeren, Ron M A

    2013-01-01

    Laser Ablation Electrospray Ionization is a recent development in mass spectrometry imaging. It has been shown that lipids and small metabolites can be imaged in various samples such as plant material, tissue sections or bacterial colonies without anysample pre-treatment. Further, laser ablation electrospray ionization has been shown to produce multiply charged protein ions from liquids or solid surfaces. This presents a means to address one of the biggest challenges in mass spectrometry imaging; the identification of proteins directly from biological tissue surfaces. Such identification is hindered by the lack of multiply charged proteins in common MALDI ion sources and the difficulty of performing tandem MS on such large, singly charged ions. We present here top-down identification of intact proteins from tissue with a LAESI ion source combined with a hybrid ion-trap FT-ICR mass spectrometer. The performance of the system was first tested with a standard protein with ECD and IRMPD fragmentation to prove the...

  6. Alternativ behandling og kræft

    DEFF Research Database (Denmark)

    Lunde, Anita; Johannessen, Helle

    2010-01-01

    Guidelines Network, SIGN, er de inkluderede reviews kvalitetsvurderet og de fundne effekter bedømt efter 4 evidensniveauer.  Resultater: Ti reviews omhandler manipulativ og kropsbaseret praksis, og heraf er fem med høj kvalitet. Det mest konsistente resultat er, at massage signifikant reducerer angst hos...... kræftpatienter (evidens A). Ydermere findes effekt af massage mod depression, smerter og kvalme. Ingen reviews finder skadelige virkninger af massage, og forestillingen om, at massage kan sprede kræft, afkræftes af nyere forskning. Konklusion: Massage er en sikker terapi at kombinere med konventionel...... at differentiere effekten i forhold til typen af massage, kræftformen eller sygdomsstadie. Udgivelsesdato: 29 jan 2010...

  7. Cosmological Solutions of $f(T)$ Gravity

    CERN Document Server

    Paliathanasis, Andronikos; Leach, P G L

    2016-01-01

    In the cosmological scenario in $f\\left( T\\right) $ gravity, we find analytical solutions for an isotropic and homogeneous universe containing a dust fluid and radiation and for an empty anisotropic Bianchi I universe. The method that we apply is that of movable singularities of differential equations. For the isotropic universe, the solutions are expressed in terms of a Laurent expansion, while for the anisotropic universe we find a family of exact Kasner-like solutions in vacuum. Finally, we discuss when a nonlinear $f\\left( T\\right) $-gravity theory provides solutions for the teleparallel equivalence of general relativity and derive conditions for exact solutions of general relativity to solve the field equations of an $f(T)$ theory.

  8. The SPEDE spectrometer arXiv

    CERN Document Server

    Papadakis, P.; O'Neill, G.G.; Borge, M.J.G.; Butler, P.A.; Gaffney, L.P.; Greenlees, P.T.; Herzberg, R.-D.; Illana, A.; Joss, D.T.; Konki, J.; Kröll, T.; Ojala, J.; Page, R.D.; Rahkila, P.; Ranttila, K.; Thornhill, J.; Tuunanen, J.; Van Duppen, P.; Warr, N.; Pakarinen, J.

    The electron spectrometer, SPEDE, has been developed and will be employed in conjunction with the Miniball spectrometer at the HIE-ISOLDE facility, CERN. SPEDE allows for direct measurement of internal conversion electrons emitted in-flight, without employing magnetic fields to transport or momentum filter the electrons. Together with the Miniball spectrometer, it enables simultaneous observation of {\\gamma} rays and conversion electrons in Coulomb-excitation experiments using radioactive ion beams.

  9. {sup 17}O NQR and {sup 13}C NMR study of hydrogen-bonded organic ferroelectric croconic acid

    Energy Technology Data Exchange (ETDEWEB)

    Seliger, Janez [Jozef Stefan Institute, Ljubljana (Slovenia); Faculty of Mathematics and Physics, University of Ljubljana (Slovenia); EN-FIST Centre of Excellence, Ljubljana (Slovenia); Plavec, Janez [EN-FIST Centre of Excellence, Ljubljana (Slovenia); Slovenian NMR Center, National Institute of Chemistry, Ljubljana (Slovenia); Faculty of Chemistry and Chemical Technology, University of Ljubljana (Slovenia); Sket, Primoz [EN-FIST Centre of Excellence, Ljubljana (Slovenia); Slovenian NMR Center, National Institute of Chemistry, Ljubljana (Slovenia); Zagar, Veselko; Blinc, Robert [Jozef Stefan Institute, Ljubljana (Slovenia)

    2011-09-15

    The {sup 1}H-{sup 17}O nuclear quadrupole double resonance spectrum and the {sup 13}C CP/MAS NMR spectrum of polycrystalline croconic acid, H{sub 2}C{sub 5}O{sub 5}, have been studied at room temperature. Croconic acid has been recently shown to have the highest switchable spontaneous polarization of all organic ferroelectrics and stays polarized up to the decomposition point at around 450 K. Both the {sup 13}C NMR and the {sup 17}O nuclear quadrupole resonance (NQR) spectra show that there are five crystallographically non-equivalent carbon and oxygen positions for a given molecule and that therefore the two O-H..O bonds are non-equivalent. From the dipolar structure of the {sup 17}O quadrupole resonance spectra the O-H distance is determined as being 0.099 {+-} 0.001 nm in both hydrogen bonds. The large {sup 17}O quadrupole coupling constant at the C-O-H as well as at the C=O..H oxygen position and the short O-H distance demonstrate that the O-H..O hydrogen bonds are strongly asymmetric. A correlation of the {sup 17}O-H..O and O-H..{sup 17}O quadrupole coupling constants versus the O..O distance has been observed in several organic acids. The data for croconic acid significantly deviate from this correlation, what may be the result of the strong long range ferroelectric ordering which influences the electron distribution in the hydrogen bonds. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. No further gravitational wave modes in $F(T)$ gravity

    CERN Document Server

    Bamba, Kazuharu; De Laurentis, Mariafelicia; Nojiri, Shin'ichi; Sáez-Gómez, Diego

    2013-01-01

    We explore the possibility of further gravitational wave modes in $F(T)$ gravity, where $T$ is the torsion scalar in teleparallelism. It is explicitly demonstrated that gravitational wave modes in $F(T)$ gravity are equivalent to those in General Relativity. This result is achieved by calculating the Minkowskian limit for a class of analytic function of $F(T)$. This consequence is also confirmed by the preservative analysis around the flat background in the weak field limit with the scalar-tensor representation of $F(T)$ gravity.

  11. No further gravitational wave modes in F(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Bamba, Kazuharu, E-mail: bamba@kmi.nagoya-u.ac.jp [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Capozziello, Salvatore, E-mail: capozziello@na.infn.it [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Dipartimento di Fisica, Università di Napoli “Federico II” (Italy); INFN Sez. di Napoli, Compl. Univ. di Monte S. Angelo, Edificio G, Via Cinthia, I-80126 Napoli (Italy); De Laurentis, Mariafelicia, E-mail: felicia@na.infn.it [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Dipartimento di Fisica, Università di Napoli “Federico II” (Italy); INFN Sez. di Napoli, Compl. Univ. di Monte S. Angelo, Edificio G, Via Cinthia, I-80126 Napoli (Italy); Nojiri, Shin' ichi, E-mail: nojiri@phys.nagoya-u.ac.jp [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Department of Physics, Nagoya University, Nagoya 464-8602 (Japan); Sáez-Gómez, Diego, E-mail: diego.saezgomez@uct.ac.za [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Astrophysics, Cosmology and Gravity Centre (ACGC) and Department of Mathematics and Applied Mathematics, University of Cape Town, Rondebosch 7701, Cape Town (South Africa); Fisika Teorikoaren eta Zientziaren Historia Saila, Zientzia eta Teknologia Fakultatea, Euskal Herriko Unibertsitatea, 644 Posta Kutxatila, 48080 Bilbao (Spain)

    2013-11-25

    We explore the possibility of further gravitational wave modes in F(T) gravity, where T is the torsion scalar in teleparallelism. It is explicitly demonstrated that gravitational wave modes in F(T) gravity are equivalent to those in General Relativity. This result is achieved by calculating the Minkowskian limit for a class of analytic function of F(T). This consequence is also confirmed by the preservative analysis around the flat background in the weak field limit with the scalar–tensor representation of F(T) gravity.

  12. {sup 75}As NQR investigations of charge inhomogeneities in CeFe{sub 1-x}Co{sub x}AsO

    Energy Technology Data Exchange (ETDEWEB)

    Bruening, Eva Maria; Lang, Guillaume; Grafe, Hans-Joachim; Veyrat, Louis; Wurmehl, Sabine; Buechner, Bernd [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung, Dresden (Germany)

    2012-07-01

    In the iron pnictides superconductors, carrier doping plays a crucial role in the appearance of superconductivity, whereas the magnetic and the structural phase transitions are suppressed. This is for example the case in LaFeAsO{sub 1-x}F{sub x}. NQR measurements on LnFeAsO{sub 1-x}F{sub x} (Ln=La,Sm) showed in the underdoped region the coexistence of two charge environments at the nanoscale; they point to local electronic order in the iron layers. Surprisingly, in LaFeAsO and SmFeAsO, superconductivity could be successfully induced by cobalt substitution in place of iron which shows that in-plane disorder is highly tolerated in these compounds, as in 122 pnictides. This is in high contrast to the cuprate high-Tc superconductors where replacing Cu by other transition metals (Zn,Ni) leads to a suppression of superconductivity. We report on {sup 75}As NQR investigations of CeFe{sub 1-x}Co{sub x}AsO (x=0.03,0.05,0.07) and the comparison of in-plane Co-doping and out-of-plane F-doping.

  13. Coexistence of multiple charge-density waves and superconductivity in SrPt2As2 revealed by 75As-NMR /NQR and 195Pt-NMR

    Science.gov (United States)

    Kawasaki, Shinji; Tani, Yoshihiko; Mabuchi, Tomosuke; Kudo, Kazutaka; Nishikubo, Yoshihiro; Mitsuoka, Daisuke; Nohara, Minoru; Zheng, Guo-qing

    2015-02-01

    The relationship between charge-density wave (CDW) orders and superconductivity in arsenide superconductor SrPt2As2 with Tc=5.2 K which crystallizes in the CaBe2Ge2 -type structure was studied by 75As nuclear magnetic resonance (NMR) measurements up to 520 K, and 75As nuclear quadrupole resonance (NQR) and 195Pt-NMR measurements down to 1.5 K. At high temperature, 75As-NMR spectrum and nuclear-spin-relaxation rate (1 /T1) have revealed two distinct CDW orders, one realized in the As-Pt-As layer below TCDWAs (1 )=410 K and the other in the Pt-As-Pt layer below TCDWAs (2 )=255 K . The 1 /T1 measured by 75As-NQR shows a clear Hebel-Slichter peak just below Tc and decreases exponentially well below Tc. Concomitantly, 195Pt Knight shift decreases below Tc. Our results indicate that superconductivity in SrPt2As2 is in the spin-singlet state with an s -wave gap and is robust under the two distinct CDW orders in different layers.

  14. 一种快速有效的NQR探头恢复方法%NQR Probe Recovery Time Reduction with a Novel Active Q-Switching Circuit

    Institute of Scientific and Technical Information of China (English)

    陈星; 徐更光

    2008-01-01

    介绍了一种用于主动减小NQR探头恢复时间的Q值变换电路,它利用MOEFET控制变Q电路与探头电路的耦合,并通过变压器增加与电感线圈串联的阻抗值以达到改变Q值的目的.此电路不会产生新的振铃也不会对接收NQR的分辨率造成损失.实验结果表明,电路能有效缩短探头的恢复时间,同时还可以提高信噪比.%An active Q-switching circuit using a transformer is described for reducing the recovery time of NQR probes. A MOSFET was used to control the coupling and decoupling states of the Q-switching circuit to the probe so that it did not operate during the reception of NQR signals. The performance of the circuits was demonstrated by experimental results. It was shown that the circuit did not create new ringing, and caused no loss in sensitivity.

  15. NMR and NQR study of Si-doped (6,0) zigzag single-walled aluminum nitride nanotube as n or P-semiconductors.

    Science.gov (United States)

    Baei, Mohammad T; Peyghan, Ali Ahmadi; Tavakoli, Khadijeh; Babaheydari, Ali Kazemi; Moghimi, Masoumeh

    2012-09-01

    Density functional theory (DFT) calculations were performed to investigate the electronic structure properties of pristine and Si-doped aluminum nitride nanotubes as n or P-semiconductors at the B3LYP/6-31G* level of theory in order to evaluate the influence of Si-doped in the (6,0) zigzag AlNNTs. We extended the DFT calculation to predict the electronic structure properties of Si-doped aluminum nitride nanotubes, which are very important for production of solid-state devices and other applications. To this aim, pristine and Si-doped AlNNT structures in two models (Si(N) and Si(Al)) were optimized, and then the electronic properties, the isotropic (CS(I)) and anisotropic (CS(A)) chemical shielding parameters for the sites of various (27)Al and (14)N atoms, NQR parameters for the sites of various of (27)Al and (14)N atoms, and quantum molecular descriptors were calculated in the optimized structures. The optimized structures, the electronic properties, NMR and NQR parameters, and quantum molecular descriptors for the Si(N) and Si(Al) models show that the Si(N) model is a more reactive material than the pristine or Si(Al) model.

  16. Superconducting state of filled-skutterudite RPt{sub 4}Ge{sub 12} (R = La, Pr): {sup 73}Ge-NQR studies

    Energy Technology Data Exchange (ETDEWEB)

    Kanetake, F., E-mail: kanetake@nmr.mp.es.osaka-u.ac.j [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Mukuda, H.; Kitaoka, Y. [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Sugawara, H.; Magishi, K. [Faculty of Integrated Arts and Sciences, University of Tokushima, Tokushima 770-8502 (Japan); Itoh, K.M. [Department of Applied Physics and Physico-Informatics, Keio University, Yokohama 223-8522 (Japan); Haller, E.E. [University of California at Berkeley and Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

    2010-12-15

    We report {sup 73}Ge-NQR studies on filled-skutterudite superconductors LaPt{sub 4}Ge{sub 12} and PrPt{sub 4}Ge{sub 12} under zero external field. In PrPt{sub 4}Ge{sub 12}, the measurement of the nuclear spin-lattice relaxation rate 1/T{sub 1} has revealed a distinct coherence peak just below T{sub c} followed by an exponential decrease well below T{sub c}, evidencing that PrPt{sub 4}Ge{sub 12} is an s-wave superconductor with the isotropic gap in a weak-coupling regime. In LaPt{sub 4}Ge{sub 12}, the 1/T{sub 1} exhibits the exponential decrease well below T{sub c}, suggesting the isotropic s-wave superconductivity. Even though {sup 73}Ge-NQR-1/T{sub 1} in LaPt{sub 4}Ge{sub 12} has been measured under zero field, its coherence peak was absent, which contrasts with the result in Pr-compound. This may point to a possible anisotropy in the Fermi surface and/or some damping effect of quasiparticles in association with electron-phonon interactions.

  17. Absence of Magnetic Dipolar Phase Transition and Evolution of Low-Energy Excitations in PrNb2Al20 with Crystal Electric Field Γ3 Ground State: Evidence from 93Nb-NQR Studies

    Science.gov (United States)

    Kubo, Tetsuro; Kotegawa, Hisashi; Tou, Hideki; Higashinaka, Ryuji; Nakama, Akihiro; Aoki, Yuji; Sato, Hideyuki

    2015-07-01

    We report measurements of bulk magnetic susceptibility and 93Nb nuclear quadrupole resonance (NQR) in the Pr-based caged compound PrNb2Al20. By analyzing the magnetic susceptibility and magnetization, the crystal electric field (CEF) level scheme of PrNb2Al20 is determined to be Γ3(0 K)-Γ4(21.32 K)-Γ5(43.98 K)-Γ1(51.16 K) within the framework of the localized 4f electron picture. The 93Nb-NQR spectra exhibit neither spectral broadening nor spectral shift upon cooling down to 75 mK. The 93Nb-NQR spin-lattice relaxation rate 1/T1 at 5 K depends on the frequency and remains almost constant below 5 K. The frequency dependence of 1/T1 is attributed to the magnetic fluctuation due to the hyperfine-enhanced 141Pr nuclear moment inherent in the nonmagnetic Γ3 CEF ground state. The present NQR results provide evidence that no symmetry-breaking magnetic dipole order occurs down to 75 mK. Also, considering an invariant form of the quadrupole and octupole couplings between a 93Nb nucleus and Pr 4f electrons, Pr 4f quadrupoles and an octupole can couple with a 93Nb nuclear quadrupole moment and nuclear spin, respectively. Together with the results of bulk measurements, the present NQR results suggest that the possibility of a static quadrupole or octupole ordering can be excluded down to 100 mK. At low temperatures below 500 mK, however, the nuclear spin-echo decay rate gradually increases and the decay curve changes from Gaussian decay to Lorentzian decay, suggesting the evolution of a low-energy excitation.

  18. Temperature variation of ultralow frequency modes and mean square displacements in solid lasamide (diuretic drug) studied by 35Cl-NQR, X-ray and DFT/QTAIM.

    Science.gov (United States)

    Latosińska, Jolanta Natalia; Latosińska, Magdalena; Kasprzak, Jerzy; Tomczak, Magdalena; Maurin, Jan Krzysztof

    2012-10-25

    The application of combined (35)Cl-NQR/X-ray/DFT/QTAIM methods to study the temperature variation of anisotropic displacement parameters and ultralow frequency modes of anharmonic torsional vibrations in the solid state is illustrated on the example of 2,4-dichloro-5-sulfamolybenzoic acid (lasamide, DSBA) which is a diuretic and an intermediate in the synthesis of furosemide and thus its common impurity. The crystallographic structure of lasamide is solved by X-ray diffraction and refined to a final R-factor of 3.06% at room temperature. Lasamide is found to crystallize in the triclinic space group P-1, with two equivalent molecules in the unit cell a = 7.5984(3) Å, b = 8.3158(3) Å, c = 8.6892(3) Å; α = 81.212(3)°, β = 73.799(3)°, γ = 67.599(3)°. Its molecules form symmetric dimers linked by two short and linear intermolecular hydrogen bonds O-H···O (O-H···O = 2.648 Å and ∠OHO = 171.5°), which are further linked by weaker and longer intermolecular hydrogen bonds N-H···O (N-H···O = 2.965 Å and ∠NHO = 166.4°). Two (35)Cl-NQR resonance frequencies, 36.899 and 37.129 MHz, revealed at room temperature are assigned to chlorine sites at the ortho and para positions, relative to the carboxyl functional group, respectively. The difference in C-Cl(1) and C-Cl(2) bond lengths only slightly affects the value of (35)Cl-NQR frequencies, which results mainly from chemical inequivalence of chlorine atoms but also involvement in different intermolecular interactions pattern. The smooth decrease in both (35)Cl-NQR frequencies with increasing temperature in the range of 77-300 K testifies to the averaging of EFG tensor at each chlorine site due to anharmonic torsional vibrations. Lasamide is thermally stable; no temperature-induced release of chlorine or decomposition of this compound is detected. The temperature dependence of ultralow frequency modes of anharmonic small-angle internal torsional vibrations averaging EFG tensor and mean square angle

  19. Determination of the Mechanical Properties of Rubber by FT-NIR

    Directory of Open Access Journals (Sweden)

    Rattapol Pornprasit

    2016-01-01

    Full Text Available Mechanical tests, for example, tensile and hardness tests, are usually used to evaluate the properties of rubber materials. In this work, mechanical properties of selected rubber materials, that is, natural rubber (NR, styrene butadiene rubber (SBR, nitrile butadiene rubber (NBR, and ethylene propylene diene monomer (EPDM, were evaluated using a near infrared (NIR spectroscopy technique. Here, NR/NBR and NR/EPDM blends were first prepared. All of the samples were then scanned using a FT-NIR spectrometer and fitted with an integration sphere working in a diffused reflectance mode. The spectra were correlated with hardness and tensile properties. Partial least square (PLS calibration models were built from the spectra datasets with preprocessing techniques, that is, smoothing and second derivative. This indicated that reasonably accurate models, that is, with a coefficient of determination [R2] of the validation greater than 0.9, could be achieved for the hardness and tensile properties of rubber materials. This study demonstrated that FT-NIR analysis can be applied to determine hardness and tensile values in rubbers and rubber blends effectively.

  20. The Geostationary Fourier Transform Spectrometer

    Science.gov (United States)

    Key, Richard; Sander, Stanley; Eldering, Annmarie; Blavier, Jean-Francois; Bekker, Dmitriy; Manatt, Ken; Rider, David; Wu, Yen-Hung

    2012-01-01

    The Geostationary Fourier Transform Spectrometer (GeoFTS) is an imaging spectrometer designed for a geostationary orbit (GEO) earth science mission to measure key atmospheric trace gases and process tracers related to climate change and human activity. GEO allows GeoFTS to continuously stare at a region of the earth for frequent sampling to capture the variability of biogenic fluxes and anthropogenic emissions from city to continental spatial scales and temporal scales from diurnal, synoptic, seasonal to interannual. The measurement strategy provides a process based understanding of the carbon cycle from contiguous maps of carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), and chlorophyll fluorescence (CF) collected many times per day at high spatial resolution (2.7kmx2.7km at nadir). The CO2/CH4/CO/CF measurement suite in the near infrared spectral region provides the information needed to disentangle natural and anthropogenic contributions to atmospheric carbon concentrations and to minimize uncertainties in the flow of carbon between the atmosphere and surface. The half meter cube size GeoFTS instrument is based on a Michelson interferometer design that uses all high TRL components in a modular configuration to reduce complexity and cost. It is self-contained and as independent of the spacecraft as possible with simple spacecraft interfaces, making it ideal to be a "hosted" payload on a commercial communications satellite mission. The hosted payload approach for measuring the major carbon-containing gases in the atmosphere from the geostationary vantage point will affordably advance the scientific understating of carbon cycle processes and climate change.

  1. Fluorescence imaging spectrometer optical design

    Science.gov (United States)

    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. Einstein Static Universe in Exponential $f(T)$ Gravity

    CERN Document Server

    Li, Jung-Tsung; Geng, Chao-Qiang

    2013-01-01

    We analyze the stability of the Einstein static closed and open universe in two types of exponential $f(T)$ gravity theories. We show that the stable solutions exist in these two models. In particular, we find that large regions of parameter space in equation of state $w=p/\\rho$ for the stable universe are allowed in the $f(T)$ theories.

  3. Einstein static universe in exponential f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jung-Tsung; Lee, Chung-Chi; Geng, Chao-Qiang [National Tsing Hua University, Department of Physics, Hsinchu (China); National Center for Theoretical Sciences, Physics Division, Hsinchu (China)

    2013-02-15

    We analyze the stability of the Einstein static closed and open universe in two types of exponential f(T) gravity theory. We show that stable solutions exist in these two models. In particular, we find that large regions of parameter space in equation of state w=p/{rho} for the stable universe are allowed in the f(T) theories. (orig.)

  4. Electron Paramagnetic Resonance Imaging: 2. Radiofrequency FT-EPR Imaging

    Indian Academy of Sciences (India)

    2016-08-01

    In this part we shall outline the challenges one faces whiledeveloping time-domain radiofrequency (RF) EPR imagingspectrometer for in vivo studies. Time-domain or FT-EPR isquite a different animal compared to the CW modality. Theevolution of FT-EPR instrumentation at the National CancerInstitute, NIH, USA and representative examples of applicationin cancer research are outlined in this article.

  5. A Mass Spectrometer Simulator in Your Computer

    Science.gov (United States)

    Gagnon, Michel

    2012-01-01

    Introduced to study components of ionized gas, the mass spectrometer has evolved into a highly accurate device now used in many undergraduate and research laboratories. Unfortunately, despite their importance in the formation of future scientists, mass spectrometers remain beyond the financial reach of many high schools and colleges. As a result,…

  6. Objective Crystal Spectrometer on the SRG satellite

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; Westergaard, Niels Jørgen Stenfeldt; Rasmussen, I.

    1994-01-01

    The flight version of the Objective Crystal Spectrometer (OXS) on the SPECTRUM-X- GAMMA satellite is presented. The spectrometer is a panel that is placed in front of one of the SODART telescopes. It is composed of an array of the three Bragg crystals, LiF(220), Si(111) and RAP(001) for high...

  7. Quark stars in f(T, T)-gravity

    Energy Technology Data Exchange (ETDEWEB)

    Pace, Mark; Said, Jackson Levi [University of Malta, Department of Physics, Msida (Malta); University of Malta, Institute of Space Sciences and Astronomy, Msida (Malta)

    2017-02-15

    We derive a working model for the Tolman-Oppenheimer-Volkoff equation for quark star systems within the modified f(T, T)-gravity class of models. We consider f(T, T)-gravity for a static spherically symmetric space-time. In this instance the metric is built from a more fundamental tetrad vierbein from which the metric tensor can be derived. We impose a linear f(T) parameter, namely taking f = αT(r) + βT(r) + φ and investigate the behaviour of a linear energy-momentum tensor trace, T. We also outline the restrictions which modified f(T, T)-gravity imposes upon the coupling parameters. Finally we incorporate the MIT bag model in order to derive the mass-radius and mass-central density relations of the quark star within f(T, T)-gravity. (orig.)

  8. FT and florigen long-distance flowering control in plants.

    Science.gov (United States)

    Putterill, Joanna; Varkonyi-Gasic, Erika

    2016-10-01

    The great hunt for florigen, the universal, long distance flowering regulator proposed by Chailakhan in the 1930s, resulted in the discovery a decade ago that FT-like proteins fulfilled the predictions for florigen. They are small (∼175 amino acids), globular, phosphatidylethanolamine-binding (PEBP) proteins, phloem-expressed, graft-transmissible and able to move to the shoot apex to act as potent stimulators of flowering in many plants. Genes that regulate Arabidopsis FT protein movement and some features of Arabidopsis FT protein that make it an effective florigen have recently been identified. Although floral promotion via graft transmission of FT has not been demonstrated in trees, FT-like genes have been successfully applied to reducing the long juvenile (pre-flowering) phase of many trees enabling fast track breeding.

  9. Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.

    Science.gov (United States)

    Shoba, D; Periandy, S; Karabacak, M; Ramalingam, S

    2011-12-01

    The FT-IR and FT-Raman vibrational spectra of 2,3-naphthalenediol (C(10)H(8)O(2)) have been recorded using Bruker IFS 66V spectrometer in the range of 4000-100 cm(-1) in solid phase. A detailed vibrational spectral analysis has been carried out and the assignments of the observed fundamental bands have been proposed on the basis of peak positions and relative intensities. The optimized molecular geometry and vibrational frequencies in the ground state are calculated by using the ab initio Hartree-Fock (HF) and DFT (LSDA and B3LYP) methods with 6-31+G(d,p) and 6-311+G(d,p) basis sets. There are three conformers, C1, C2 and C3 for this molecule. The computational results diagnose the most stable conformer of title molecule as the C1 form. The isotropic computational analysis showed good agreement with the experimental observations. Comparison of the fundamental vibrational frequencies with calculated results by HF and DFT methods. Comparison of the simulated spectra provides important information about the capability of computational method to describe the vibrational modes. A study on the electronic properties, such as absorption wavelengths, excitation energy, dipole moment and Frontier molecular orbital energies, are performed by time dependent DFT approach. The electronic structure and the assignment of the absorption bands in the electronic spectra of steady compounds are discussed. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. On the basis of the thermodynamic properties of the title compound at different temperatures have been calculated. The statistical thermodynamic properties (standard heat capacities, standard entropies, and standard enthalpy changes) and their correlations with temperature have been obtained from the theoretical vibrations.

  10. Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Sagar Dhakal

    2016-05-01

    Full Text Available Turmeric powder (Curcuma longa L. is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman and Fourier Transform-Infra Red (FT-IR spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powder. Sample mixtures of turmeric powder and metanil yellow were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1%, and 0.01% (w/w. FT-Raman and FT-IR spectra were acquired for these mixture samples as well as for pure samples of turmeric powder and metanil yellow. Spectral analysis showed that the FT-IR method in this study could detect the metanil yellow at the 5% concentration, while the FT-Raman method appeared to be more sensitive and could detect the metanil yellow at the 1% concentration. Relationships between metanil yellow spectral peak intensities and metanil yellow concentration were established using representative peaks at FT-Raman 1406 cm−1 and FT-IR 1140 cm−1 with correlation coefficients of 0.93 and 0.95, respectively.

  11. Intermetallic solid solution Fe{sub 1-x}Co{sub x}Ga{sub 3}: Synthesis, structure, NQR study and electronic band structure calculations

    Energy Technology Data Exchange (ETDEWEB)

    Verchenko, V.Yu.; Likhanov, M.S.; Kirsanova, M.A. [Department of Chemistry, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Gippius, A.A; Tkachev, A.V.; Gervits, N.E. [Faculty of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); A.V. Shubnikov Institute of Crystallography, Moscow 119333 (Russian Federation); Galeeva, A.V. [Faculty of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Buettgen, N.; Kraetschmer, W. [Institut fuer Physik, University of Augsburg, Augsburg D-86135 (Germany); Lue, C.S. [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China); Okhotnikov, K.S. [Materials and Environmental Chemistry, Stockholm University, Stockholm (Sweden); Shevelkov, A.V., E-mail: shev@inorg.chem.msu.ru [Department of Chemistry, Lomonosov Moscow State University, Moscow 119991 (Russian Federation)

    2012-10-15

    Unlimited solid solution Fe{sub 1-x}Co{sub x}Ga{sub 3} was prepared from Ga flux. Its crystal structure was refined for Fe{sub 0.5}Co{sub 0.5}Ga{sub 3} (P4{sub 2}/mnm, a=6.2436(9), c=6.4654(13), Z=4) and showed no ordering of the metal atoms. A combination of the electronic band structure calculations within the density functional theory (DFT) approach and {sup 69,71}Ga nuclear quadrupole resonance (NQR) spectroscopy clearly shows that the Fe-Fe and Co-Co dumbbells are preferred to the Fe-Co dumbbells in the crystals structure. The band structure features a band gap of about 0.4 eV, with the Fermi level crossing peaks of a substantial density of electronic states above the gap for x>0. The solid solution is metallic for x>0.025. The study of the nuclear spin-lattice relaxation shows that the rate of the relaxation, 1/T{sub 1}, is very sensitive to the Co concentration and correlates well with the square of the density of states at the Fermi level, N{sup 2}(E{sub F}). - Graphical abstract: Rate of the nuclear spin-lattice relaxation, 1/T{sub 1}, observed in the {sup 69}Ga NQR experiments for the intermetallic solid solution Fe{sub 1-x}Co{sub x}Ga{sub 3} is the highest for x=0.25 with the highest calculated density of electronic states at the Fermi level, N(E{sub F}); in general, 1/T{sub 1} correlates with N{sup 2}(E{sub F}). Highlights: Black-Right-Pointing-Pointer Fe{sub 1-x}Co{sub x}Ga{sub 3} solid solution is prepared in single crystalline form from Ga flux. Black-Right-Pointing-Pointer In the crystal structure Fe-Fe and Co-Co dumbbells are preferred to Fe-Co dumbbells. Black-Right-Pointing-Pointer Metal-to-semiconductor transition occurs at 0NQR spectra efficiently probe local environment of two independent Ga atoms. Black-Right-Pointing-Pointer Rate of nuclear spin-lattice relaxation follows squared DOS at the Fermi level.

  12. High-Resolution Mass Spectrometers

    Science.gov (United States)

    Marshall, Alan G.; Hendrickson, Christopher L.

    2008-07-01

    Over the past decade, mass spectrometry has been revolutionized by access to instruments of increasingly high mass-resolving power. For small molecules up to ˜400 Da (e.g., drugs, metabolites, and various natural organic mixtures ranging from foods to petroleum), it is possible to determine elemental compositions (CcHhNnOoSsPp…) of thousands of chemical components simultaneously from accurate mass measurements (the same can be done up to 1000 Da if additional information is included). At higher mass, it becomes possible to identify proteins (including posttranslational modifications) from proteolytic peptides, as well as lipids, glycoconjugates, and other biological components. At even higher mass (˜100,000 Da or higher), it is possible to characterize posttranslational modifications of intact proteins and to map the binding surfaces of large biomolecule complexes. Here we review the principles and techniques of the highest-resolution analytical mass spectrometers (time-of-flight and Fourier transform ion cyclotron resonance and orbitrap mass analyzers) and describe some representative high-resolution applications.

  13. Handheld spectrometers: the state of the art

    Science.gov (United States)

    Crocombe, Richard A.

    2013-05-01

    "Small" spectrometers fall into three broad classes: small versions of laboratory instruments, providing data, subsequently processed on a PC; dedicated analyzers, providing actionable information to an individual operator; and process analyzers, providing quantitative or semi-quantitative information to a process controller. The emphasis of this paper is on handheld dedicated analyzers. Many spectrometers have historically been large, possible fragile, expensive and complicated to use. The challenge over the last dozen years, as instruments have moved into the field, has been to make spectrometers smaller, affordable, rugged, easy-to-use, but most of all capable of delivering actionable results. Actionable results can dramatically improve the efficiency of a testing process and transform the way business is done. There are several keys to this handheld spectrometer revolution. Consumer electronics has given us powerful mobile platforms, compact batteries, clearly visible displays, new user interfaces, etc., while telecomm has revolutionized miniature optics, sources and detectors. While these technologies enable miniature spectrometers themselves, actionable information has demanded the development of rugged algorithms for material confirmation, unknown identification, mixture analysis and detection of suspicious materials in unknown matrices. These algorithms are far more sophisticated than the `correlation' or `dot-product' methods commonly used in benchtop instruments. Finally, continuing consumer electronics advances now enable many more technologies to be incorporated into handheld spectrometers, including Bluetooth, wireless, WiFi, GPS, cameras and bar code readers, and the continued size shrinkage of spectrometer `engines' leads to the prospect of dual technology or `hyphenated' handheld instruments.

  14. [The coding correction of slit diffraction in Hadamard transform spectrometer].

    Science.gov (United States)

    Li, Bo; Wang, Shu-Rong; Huang, Yu; Wang, Jun-Bo

    2013-08-01

    According to the principles of Hadamard transform spectrometer and the slit diffraction characteristics, the influence of spectrometer entrance slit diffraction of Hadamard transform spectrometer on the measurement result was analyzed, for the diffraction case, the Hadamard transform spectrometer instrument structure matrix was studied, and the Hadamard transform spectrometer encoding/decoding method was established. The analysis of incident spectral verified the correctness of the coding/ decoding. This method is very important for the high precision measurement of Hadamard transform spectrometer.

  15. Distributed computing strategies for processing of FT-ICR MS imaging datasets for continuous mode data visualization.

    Science.gov (United States)

    Smith, Donald F; Schulz, Carl; Konijnenburg, Marco; Kilic, Mehmet; Heeren, Ron M A

    2015-03-01

    High-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry imaging enables the spatial mapping and identification of biomolecules from complex surfaces. The need for long time-domain transients, and thus large raw file sizes, results in a large amount of raw data ("big data") that must be processed efficiently and rapidly. This can be compounded by large-area imaging and/or high spatial resolution imaging. For FT-ICR, data processing and data reduction must not compromise the high mass resolution afforded by the mass spectrometer. The continuous mode "Mosaic Datacube" approach allows high mass resolution visualization (0.001 Da) of mass spectrometry imaging data, but requires additional processing as compared to feature-based processing. We describe the use of distributed computing for processing of FT-ICR MS imaging datasets with generation of continuous mode Mosaic Datacubes for high mass resolution visualization. An eight-fold improvement in processing time is demonstrated using a Dutch nationally available cloud service.

  16. Distributed computing strategies for processing of FT-ICR MS imaging datasets for continuous mode data visualization

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Donald F.; Schulz, Carl; Konijnenburg, Marco; Kilic, Mehmet; Heeren, Ronald M.

    2015-03-01

    High-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry imaging enables the spatial mapping and identification of biomolecules from complex surfaces. The need for long time-domain transients, and thus large raw file sizes, results in a large amount of raw data (“big data”) that must be processed efficiently and rapidly. This can be compounded by largearea imaging and/or high spatial resolution imaging. For FT-ICR, data processing and data reduction must not compromise the high mass resolution afforded by the mass spectrometer. The continuous mode “Mosaic Datacube” approach allows high mass resolution visualization (0.001 Da) of mass spectrometry imaging data, but requires additional processing as compared to featurebased processing. We describe the use of distributed computing for processing of FT-ICR MS imaging datasets with generation of continuous mode Mosaic Datacubes for high mass resolution visualization. An eight-fold improvement in processing time is demonstrated using a Dutch nationally available cloud service.

  17. A tunable diode laser absorption spectrometer for formaldehyde atmospheric measurements validated by simulation chamber instrumentation.

    Science.gov (United States)

    Catoire, V; Bernard, F; Mébarki, Y; Mellouki, A; Eyglunent, G; Daële, V; Robert, C

    2012-01-01

    A tunable diode laser absorption spectrometer (TDLAS) for formaldehyde atmospheric measurements has been set up and validated through comparison experiments with a Fourier transform infrared spectrometer (FT-IR) in a simulation chamber. Formaldehyde was generated in situ in the chamber from reaction of ethene with ozone. Three HCHO ro-vibrational line intensities (at 2909.71, 2912.09 and 2914.46 cm(-1)) possibly used by TDLAS were calibrated by FT-IR spectra simultaneously recorded in the 1600-3200 cm(-1) domain during ethene ozonolysis, enabling the on-line deduction of the varying concentration for HCHO in formation. The experimental line intensities values inferred confirmed the calculated ones from the updated HITRAN database. In addition, the feasibility of stratospheric in situ HCHO measurements using the 2912.09 cm(-1) line was demonstrated. The TDLAS performances were also assessed, leading to a 2sigma detection limit of 88 ppt in volume mixing ratio with a response time of 60 sec at 30 Torr and 294 K for 112 m optical path. As part of this work, the room-temperature rate constant of this reaction and the HCHO formation yield were found to be in excellent agreement with the compiled literature data.

  18. Portable Gas Analyzer Based on Fourier Transform Infrared Spectrometer for Patrolling and Examining Gas Exhaust

    Directory of Open Access Journals (Sweden)

    Yuntao Liang

    2015-01-01

    Full Text Available Aimed at monitoring emission of organic gases such as CH4, C2H6, C3H8, iso-C4H10, n-C4H10, C2H4, C3H6, C2H2, CO, and CO2, from coal mines, petroleum refineries, and other plants, a Fourier Transform Infrared (FT-IR spectrometer was used to develop a portable gas analyzer for patrolling and examining gas exhaust. Firstly, structure of the instrument was introduced. Then, a spectral analysis approach was presented. Finally, instrument was tested with standard gases and with actual gases emitted from a petroleum refinery. For the latter test, a gas chromatograph (GC was used as a reference instrument. The test results showed that the detection limit of every component of analyte was less than 10 × 10−6. The maximum test error of every analyte was less than 15 × 10−6 when its practical concentration was no more than 500 × 10−6. A final comparison showed that the result curves of analytes obtained with FT-IR spectrometer almost overlapped with those obtained with GC, and their resulting noise was less than 6.4% when the practical gas concentration was above 100 × 10−6. As a result, our instrument was suitable to be used as a portable instrument for monitoring exhaust gases.

  19. Matrix-assisted ionization vacuum for high-resolution Fourier transform ion cyclotron resonance mass spectrometers.

    Science.gov (United States)

    Wang, Beixi; Tisdale, Evgenia; Trimpin, Sarah; Wilkins, Charles L

    2014-07-15

    Matrix-assisted ionization vacuum (MAIV) produces charge states similar to electrospray ionization (ESI) from the solid state without requiring high voltage or added heat. MAIV differs from matrix-assisted laser desorption/ionization (MALDI) in that no laser is needed and abundant multiply charged ions are produced from molecules having multiple basic sites such as proteins. Here we introduce simple modifications to the commercial vacuum MALDI and ESI sources of a 9.4 T Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometer to perform MAIV from both intermediate and atmospheric pressure. The multiply charged ions are shown for the proteins bovine insulin, ubiquitin, and lysozyme using 3-nitrobenzonitrile as matrix. These are the first examples of MAIV operating at pressures as low as 10(-6) mbar in an FT-ICR mass spectrometer source, and the expected mass resolving power of 100000 to 400000 is achieved. Identical protein charge states are observed with and without laser ablation indicating minimal, if any, role of photochemical ionization for the compounds studied.

  20. A tunable diode laser absorption spectrometer for formaldehyde atmospheric measurements validated by simulation chamber instrumentation

    Institute of Scientific and Technical Information of China (English)

    V. Catoire; F. Bernard; Y. MébarKi; A. Mellouki; G. Eyglunent; V. Da(e)le; C. Robert

    2012-01-01

    A tunable diode laser absorption spectrometer (TDLAS) for formaldehyde atmospheric measurements has been set up and validated through comparison experiments with a Fourier transform infrared spectrometer (FT-IR) in a simulation chamber.Formaldehyde was generated in situ in the chamber from reaction of ethene with ozone.Three HCHO ro-vibrational line intensities (at 2909.71,2912.09and 2914.46 cm-1) possibly used by TDLAS were calibrated by FT-IR spectra simultaneously recorded in the 1600-3200 cm-1 domain during ethene ozonolysis,enabling the on-line deduction of the varying concentration for HCHO in formation.The experimental line intensities values inferred confirmed the calculated ones from the updated HITRAN database.In addition,the feasibility of stratospheric in situ HCHO measurements using the 2912.09 cm-1 line was demonstrated.The TDLAS performances were also assessed,leading to a 2σ detection limit of 88 ppt in volume mixing ratio with a response time of 60 see at 30 Torr and 294 K for 112 m optical path.As part of this work,the room-temperature rate constant of this reaction and the HCHO formation yield were found to be in excellent agreement with the compiled literature data.

  1. Digital Logarithmic Airborne Gamma Ray Spectrometer

    OpenAIRE

    2014-01-01

    A new digital logarithmic airborne gamma ray spectrometer is designed in this study. The spectrometer adopts a high-speed and high-accuracy logarithmic amplifier (LOG114) to amplify the pulse signal logarithmically and to improve the utilization of the ADC dynamic range, because the low-energy pulse signal has a larger gain than the high-energy pulse signal. The spectrometer can clearly distinguish the photopeaks at 239, 352, 583, and 609keV in the low-energy spectral sections after the energ...

  2. A Compact High-Energy Neutron Spectrometer

    CERN Document Server

    Brooks, F D; Buffler, A; Dangendorf, V; Herbert, M S; Jones, D T L; Nchodu, M R; Nolte, R; Smit, F D

    2007-01-01

    A compact liquid organic neutron spectrometer (CLONS) based on a single NE213 liquid scintillator (5 cm diam. x 5 cm) is described. The spectrometer is designed to measure neutron fluence spectra over the energy range 2-200 MeV and is suitable for use in neutron fields having any type of time structure. Neutron fluence spectra are obtained from measurements of two-parameter distributions (counts versus pulse height and pulse shape) using the Bayesian unfolding code MAXED. Calibration and test measurements made using a pulsed neutron beam with a continuous energy spectrum are described and the application of the spectrometer to radiation dose measurements is discussed.

  3. Mini-Orange Spectrometer at CIAE

    CERN Document Server

    Zheng, Yun; Li, Guang-Sheng; Li, Cong-Bo; He, Chuang-Ye; Chen, Qi-Ming; Zhong, Jian; Zhou, Wen-Kui; Deng, Li-Tao; Zhu, Bao-Ji

    2016-01-01

    A Mini-Orange spectrometer used for in-beam measurements of internal conversion electrons, which consists of a Si(Li) detector and different sets of SmO$_5$ permanent magnets for filtering and transporting the conversion electrons to the Si(Li) detector, has been developed at China Institute of Atomic Energy. The working principle and configuration of the Mini-Orange spectrometer are described. The performance of the setup is illustrated by measured singles conversion electron spectra using the Mini-Orange spectrometer.

  4. Radiation calibration for LWIR Hyperspectral Imager Spectrometer

    Science.gov (United States)

    Yang, Zhixiong; Yu, Chunchao; Zheng, Wei-jian; Lei, Zhenggang; Yan, Min; Yuan, Xiaochun; Zhang, Peizhong

    2014-11-01

    The radiometric calibration of LWIR Hyperspectral imager Spectrometer is presented. The lab has been developed to LWIR Interferometric Hyperspectral imager Spectrometer Prototype(CHIPED-I) to study Lab Radiation Calibration, Two-point linear calibration is carried out for the spectrometer by using blackbody respectively. Firstly, calibration measured relative intensity is converted to the absolute radiation lightness of the object. Then, radiation lightness of the object is is converted the brightness temperature spectrum by the method of brightness temperature. The result indicated †that this method of Radiation Calibration calibration was very good.

  5. High Mass Accuracy and High Mass Resolving Power FT-ICR Secondary Ion Mass Spectrometry for Biological Tissue Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Donald F.; Kiss, Andras; Leach, Franklin E.; Robinson, Errol W.; Pasa-Tolic, Ljiljana; Heeren, Ronald M.

    2013-07-01

    Biological tissue imaging by secondary ion mass spectrometry has seen rapid development with the commercial availability of polyatomic primary ion sources. Endogenous lipids and other small bio-molecules can now be routinely mapped on the micrometer scale. Such experiments are typically performed on time-of-flight mass spectrometers for high sensitivity and high repetition rate imaging. However, such mass analyzers lack the mass resolving power to ensure separation of isobaric ions and the mass accuracy for exact mass elemental formula assignment. We have recently reported a secondary ion mass spectrometer with the combination of a C60 primary ion gun with a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) for high mass resolving power, high mass measurement accuracy and tandem mass spectrometry capabilities. In this work, high specificity and high sensitivity secondary ion FT-ICR MS was applied to chemical imaging of biological tissue. An entire rat brain tissue was measured with 150 μm spatial resolution (75 μm primary ion spot size) with mass resolving power (m/Δm50%) of 67,500 (at m/z 750) and root-mean-square measurement accuracy less than two parts-per-million for intact phospholipids, small molecules and fragments. For the first time, ultra-high mass resolving power SIMS has been demonstrated, with m/Δm50% > 3,000,000. Higher spatial resolution capabilities of the platform were tested at a spatial resolution of 20 μm. The results represent order of magnitude improvements in mass resolving power and mass measurement accuracy for SIMS imaging and the promise of the platform for ultra-high mass resolving power and high spatial resolution imaging.

  6. Noether symmetry approach in f(T, B) teleparallel cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Capozziello, Salvatore [Universita di Napoli ' ' Federico II' ' , Dipartimento di Fisica, Naples (Italy); Gran Sasso Science Institute, L' Aquila (Italy); Compl. Univ. di Monte S. Angelo, Naples (Italy); INFN, Napoli (Italy)

    2017-02-15

    We consider the cosmology derived from f(T, B) gravity where T is the torsion scalar and B = (2)/(e)∂{sub μ}(eT{sup μ}) a boundary term. In particular we discuss how it is possible to recover, under the same standard, the teleparallel f(T) gravity, the curvature f(R) gravity, and the teleparallel-curvature f(R, T) gravity, which are particular cases of f(T, B). We adopt the Noether Symmetry Approach to study the related dynamical systems and to find cosmological solutions. (orig.)

  7. FT-Raman, FT-IR spectroscopic and DFT studies of hexaphenoxycyclotriphosphazene

    Science.gov (United States)

    Furer, V. L.; Vandyukov, A. E.; Padie, C.; Majoral, J. P.; Caminade, A. M.; Kovalenko, V. I.

    2016-07-01

    The FTIR and FT Raman measurements of zero Gc0‧ -H and first Gc1‧ -H generations of phosphorus dendrimer built from cyclotriphosphazene core with phenoxy and deuterophenoxy terminal groups have been performed. In order to evaluate how much the frequencies, shift when changing the electronics of the system the FTIR and FT Raman spectra of phosphorus‒containing dendron with five terminal oxybenzaldehyde and one ester function Gci‧ have been also studied. Structural optimization and normal mode analysis were obtained for Gc0‧ -H and Gc0‧ -D by the density functional theory (DFT). It is discovered that dendrimer molecule exists in a stable conformation with six phenoxy terminal groups spaced above and below the flat cyclotriphosphazene core. Optimized geometric bond length and angles obtained by DFT show good agreement with a previously-published X-ray study. The phenoxy terminal groups are characterized by the well-defined line at 993 cm-1 in the experimental Raman spectrum of Gc0‧ -H and by line at 960 cm-1 in the Raman spectrum of Gc0‧ -D. Relying on DFT calculations a complete vibrational assignment is proposed for the studied dendrimers. The frequencies and relative intensity of the bands at 1589, 1487 cm-1 in the IR spectra show marked difference in dependence of the substituents on the aromatic ring.

  8. sup 5 sup 9 Co NQR study on superconducting Na sub x CoO sub 2 centre dot yH sub 2 O

    CERN Document Server

    Kobayashi, Y; Sato, M

    2003-01-01

    Layered Co oxide Na sub x CoO sub 2 centre dot yH sub 2 O with a superconducting transition temperature T sub c =4.5 K has been studied by sup 5 sup 9 Co NQR. The nuclear spin relaxation rate 1/ sup 5 sup 9 T sub 1 is nearly proportional to temperature T in the normal state. In the superconducting state, it exhibits the coherence peak and decreases with decreasing T below approx 0.8T sub c. Detailed comparison of the 1/T sub 1 T values and the magnetic susceptibilities between Na sub x CoO sub 2 centre dot yH sub 2 O and Na sub x CoO sub 2 implies that the metallic state of the former system is closer to a ferromagnetic phase than that of the latter. These experimental results impose a restriction on the mechanism of the superconductivity.

  9. Pseudogap-like phase in Ca(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} revealed by {sup 75}As NQR

    Energy Technology Data Exchange (ETDEWEB)

    Baek, Seung-Ho; Grafe, Hans-Joachim; Lang, Guillaume; Harnagea, L.; Singh, S.; Wurmehl, Sabine; Buechner, Bernd [IFW-Dresden, Institute for Solid State Research (Germany)

    2011-07-01

    We report {sup 75}As nuclear quadrupole resonance (NQR) measurements on single crystalline Ca(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} (0 < x < 0.09). The nuclear spin-lattice relaxation rate T{sub 1}{sup -1} as a function of temperature T and Co dopant concentration x reveals a normal-state pseudogap-like phase below a crossover temperature T{sup *} in the under- and optimally-doped region. The resulting x-T phase diagram shows that, after suppression of the spin-density-wave order, T{sup *} intersects T{sub c} falling to zero rapidly near the optimal doping regime. Possible origins of the pseudogap are discussed.

  10. Novel superconductivity in CeIr(In{sub 1-x}Cd{sub x}){sub 5} studied by In-NQR measurements

    Energy Technology Data Exchange (ETDEWEB)

    Yashima, M; Taniguchi, S; Tagami, N; Mukuda, H; Kitaoka, Y [Department of Materials Engineering Science, Osaka University, Osaka 560-8531 (Japan); Ota, Y; Shishido, H; Settai, R; Onuki, Y, E-mail: yashima@nmr.mp.es.osaka-u.ac.j [Department of Physics, Osaka University, Osaka 560-0043 (Japan)

    2010-01-15

    We report the superconducting characters in CeIrIns studied by In-NQR measurements under pressure (P). In CeCoIn{sub 5} and CeRhIn{sub 5}, the occurrence of superconductivity (SC) is related with the antiferrmagnetic spin fluctuations (AFM-SFs) originating from the antiferromagntic quantum-critical point (AFM-QCP). The high-T{sub c} SC (T{sub cmax} > 2 K) is realized in both compounds. However, in CeIrIn{sub 5} which is apart from the AFM-QCP, SC occurs even without AFM-SFs and the quite small value of T{sub cmax} ({approx} 1 K) is observed around P = 3 GPa. The mechanism of SC in CeIrIn{sub 5} may be different from that in CeCoIn{sub 5} and CeRhIn{sub 5}.

  11. 14 N NQR Study of Isomeric Effect%同分异构效应的14N核四极共振研究

    Institute of Scientific and Technical Information of China (English)

    黄学义; 徐更光; 吕宁; 黄求安; 薛田

    2016-01-01

    In order to explore the isomeric effect on 14 N nuclear quadrupole resonance (NQR) characteristics of nitrogenous compounds ,the nicotinic and isonicotinic acids , serving as mutual isomers that both belong to carboxyl pyridines , were taken as research objects based on the NQR fundamental principles and hybrid orbital valence bond theories .In this paper ,the similarities and differences of 14 N NQR characteristics due to those of molecular structures were investigated from resonance spectra ,charac‐teristic parameters and hybrid effects .According to the comparative analysis about the experimental results ,it can be found that there are plenty of similarities and differences in 14 N NQR characteristics owing to the molecular isomerism .Or rather ,in terms of resonance spectra ,the similarities are reflected in spectral shape with differences in res‐onance point of the spectra for low frequencies .As far as characteristic parameters ,the similarities are embodied in quadrupole coupling constant with differences in asymmetry parameter .With regard to hybrid effects ,the similarities are concretized in hybrid form with differences in orbital occupation .%为探究同分异构现象对含氮化合物的14 N核四极共振(NQR)特征的影响,基于核四极共振基本原理和杂化轨道价键理论,以烟酸和异烟酸这两种互为同分异构体的羧基吡啶为研究对象,从共振频谱、特征参数和杂化效应3个方面,对分子结构异同所导致的14 N NQR特征异同进行了研究。通过试验结果的对比分析,发现分子结构的异同使14 N NQR特征呈现许多异同,具体表现为:就共振频谱而言,相似性主要体现于频谱形状,而差异性则主要体现于低频频谱的共振频率;就特征参数而言,相似性主要体现于四极耦合常数,而差异性则主要体现于不对称参数;就杂化效应而言,相似性主要体现于杂化形式,而差异性则主要体现于轨道占据。

  12. Pressure-temperature phase diagram in Ce{sub 2}RhIn{sub 8} studied by In-NQR measurements

    Energy Technology Data Exchange (ETDEWEB)

    Yashima, M; Taniguchi, S; Miyazaki, H; Mukuda, H; Kitaoka, Y [Department of Materials Engineering Science, Osaka University, Osaka 560-8531 (Japan); Shishido, H; Settai, R; Onuki, Y, E-mail: mitsuharu@nmr.mp.es.osaka-u.ac.j [Department of Physics, Osaka University, Osaka 560-0043 (Japan)

    2010-01-15

    We present a phase diagram for the antiferromagnetism and superconductivity in Ce{sub 2}RhIn{sub 8} probed by In-NQR studies under pressure (P). The quasi-2D character of antiferromagnetic spin fluctuations in the paramagnetic state at P = 0 evolves into a 3D character because of the suppression of antiferromagnetic order for P > P{sub QCP} {approx} 1.36 GPa (QCP: antiferromagnetic quantum critical point). Nuclear-spin-lattice-relaxation rate 1/T{sub 1} measurements revealed that the superconducting order occurs in the P range 1.36 - 1.84 GPa, with maximum T{sub c} {approx} 0.9 K (P{sub QCP} {approx} 1.36 GPa).

  13. NMR and NQR Studies on Non-centrosymmetric Superconductors Re7B3, LaBiPt, and BiPd

    Science.gov (United States)

    Matano, Kazuaki; Maeda, Satoki; Sawaoka, Hiroki; Muro, Yuji; Takabatake, Toshiro; Joshi, Bhanu; Ramakrishnan, Srinivasan; Kawashima, Kenji; Akimitsu, Jun; Zheng, Guo-qing

    2013-08-01

    We report the nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements for non-centrosymmetric superconductors Re7B3, LaBiPt, and BiPd containing heavy elements. For all three compounds, the spin--lattice relaxation rate 1/T1 shows a coherence peak just below Tc and decreases exponentially at low temperatures, which indicates that an isotropic superconducting gap is dominant in these compounds. In BiPd, the height of the coherence peak just below Tc is much suppressed, which suggests that there exists a substantial component of gap with nodes in this compound. Our results indicate that heavy element is not the only factor, but the extent of inversion symmetry breaking is also important to induce a large spin--orbit coupling and an unconventional superconducting state.

  14. Suppression of electron correlations in the collapsed tetragonal phase of CaFe2As2 under ambient pressure demonstrated by As75 NMR/NQR measurements

    Energy Technology Data Exchange (ETDEWEB)

    Furukawa, Yuji [Ames Laboratory; Roy, Beas [Ames Laboratory; Ran, Sheng [Ames Laboratory; Budko, Sergey L. [Ames Laboratory; Canfield, Paul C. [Ames Laboratory

    2014-03-20

    The static and the dynamic spin correlations in the low-temperature collapsed tetragonal and the high-temperature tetragonal phase in CaFe2As2 have been investigated by As75 nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. Through the temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T1) and the Knight shifts, although stripe-type antiferromagnetic (AFM) spin correlations are realized in the high-temperature tetragonal phase, no trace of the AFM spin correlations can be found in the nonsuperconducting, low-temperature, collapsed tetragonal (cT) phase. Given that there is no magnetic broadening in As75 NMR spectra, together with the T-independent behavior of magnetic susceptibility χ and the T dependence of 1/T1Tχ, we conclude that Fe spin correlations are completely quenched statically and dynamically in the nonsuperconducting cT phase in CaFe2As2.

  15. Suppression of electron correlations in the collapsed tetragonal phase of CaFe2As2 under ambient pressure demonstrated by As75 NMR/NQR measurements

    Science.gov (United States)

    Furukawa, Y.; Roy, B.; Ran, S.; Bud'ko, S. L.; Canfield, P. C.

    2014-03-01

    The static and the dynamic spin correlations in the low-temperature collapsed tetragonal and the high-temperature tetragonal phase in CaFe2As2 have been investigated by As75 nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. Through the temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T1) and the Knight shifts, although stripe-type antiferromagnetic (AFM) spin correlations are realized in the high-temperature tetragonal phase, no trace of the AFM spin correlations can be found in the nonsuperconducting, low-temperature, collapsed tetragonal (cT) phase. Given that there is no magnetic broadening in As75 NMR spectra, together with the T-independent behavior of magnetic susceptibility χ and the T dependence of 1/T1Tχ, we conclude that Fe spin correlations are completely quenched statically and dynamically in the nonsuperconducting cT phase in CaFe2As2.

  16. Bromine-79 NQR for uncoordinated Br- ions in trans-[CoBr2(en)2][H5O2]Br2

    Science.gov (United States)

    Sasane, A.; Matsuda, T.; Honda, H.; Mori, Y.

    1992-02-01

    A single 79Br NQR line showing a frequency of 19.594 MHz at room temperature has been observed in the crystals of trans-[CoBr2(en)2] [ H5O2 ] Br2 and assigned to the Br - ions which are not coordinated to the central Co(III) atom. The electric field gradient (EFG) at the Br - nuclei arises from O-H • • • Br - hydrogen bond formation between the Br - ions and the terminal O - H hydrogen atoms in [ H5O2 ] + ions. The induced EFG is greater for the present bromine complex than that for the isostructural chlorine complex. A point charge model calculation explains well the relative magnitude of the EFG in the two crystals by introducing Sternheimer's antishielding factors for the halogen ions.

  17. The VERDI fission fragment spectrometer

    Science.gov (United States)

    Frégeau, M. O.; Bryś, T.; Gamboni, Th.; Geerts, W.; Oberstedt, S.; Oberstedt, A.; Borcea, R.

    2013-12-01

    The VERDI time-of-flight spectrometer is dedicated to measurements of fission product yields and of prompt neutron emission data. Pre-neutron fission-fragment masses will be determined by the double time-of-flight (TOF) technique. For this purpose an excellent time resolution is required. The time of flight of the fragments will be measured by electrostatic mirrors located near the target and the time signal coming from silicon detectors located at 50 cm on both sides of the target. This configuration, where the stop detector will provide us simultaneously with the kinetic energy of the fragment and timing information, significantly limits energy straggling in comparison to legacy experimental setup where a thin foil was usually used as a stop detector. In order to improve timing resolution, neutron transmutation doped silicon will be used. The high resistivity homogeneity of this material should significantly improve resolution in comparison to standard silicon detectors. Post-neutron fission fragment masses are obtained form the time-of-flight and the energy signal in the silicon detector. As an intermediary step a diamond detector will also be used as start detector located very close to the target. Previous tests have shown that poly-crystalline chemical vapour deposition (pCVD) diamonds provides a coincidence time resolution of 150 ps not allowing complete separation between very low-energy fission fragments, alpha particles and noise. New results from using artificial single-crystal diamonds (sCVD) show similar time resolution as from pCVD diamonds but also sufficiently good energy resolution.

  18. The VERDI fission fragment spectrometer

    Directory of Open Access Journals (Sweden)

    Frégeau M.O.

    2013-12-01

    Full Text Available The VERDI time-of-flight spectrometer is dedicated to measurements of fission product yields and of prompt neutron emission data. Pre-neutron fission-fragment masses will be determined by the double time-of-flight (TOF technique. For this purpose an excellent time resolution is required. The time of flight of the fragments will be measured by electrostatic mirrors located near the target and the time signal coming from silicon detectors located at 50 cm on both sides of the target. This configuration, where the stop detector will provide us simultaneously with the kinetic energy of the fragment and timing information, significantly limits energy straggling in comparison to legacy experimental setup where a thin foil was usually used as a stop detector. In order to improve timing resolution, neutron transmutation doped silicon will be used. The high resistivity homogeneity of this material should significantly improve resolution in comparison to standard silicon detectors. Post-neutron fission fragment masses are obtained form the time-of-flight and the energy signal in the silicon detector. As an intermediary step a diamond detector will also be used as start detector located very close to the target. Previous tests have shown that poly-crystalline chemical vapour deposition (pCVD diamonds provides a coincidence time resolution of 150 ps not allowing complete separation between very low-energy fission fragments, alpha particles and noise. New results from using artificial single-crystal diamonds (sCVD show similar time resolution as from pCVD diamonds but also sufficiently good energy resolution.

  19. Comparison of Adsorption of Nitrogen and Oxygen- Molecules on the Open Ended and Surface of Swcnts: A Computational NMR and NQR Study

    Directory of Open Access Journals (Sweden)

    F. Ashrafi

    2012-04-01

    Full Text Available This study have performed for investigating on the results of adsorption of several gaseous molecules as nitrogen and oxygen, on the open-ended and external surface of H-capped (4, 4 armchair semiconducting Single-walled Carbon Nanotube (SWCNTs, using Density Functional Theory (DFT calculations. Geometric optimizations were carried out at B3LYP/6-311G*level of theory using Gaussian 98 program. Structural models are optimized and adsorption energies are obtained to investigate the nuclear magnetic resonance (NMR and Nuclear Quadrupole Resonance (NQR spectroscopy parameters for (nitrogen-CNTs and (oxygen-CNTs model of (4,4 armchair SWCNTs. The chemical-shielding (σii tensors were converted to isotropic chemicalshielding (σισο and anisotropic chemical-shielding (Δσ and asymmetrical (μi parameters of 13C, 15N and 17N nucleus for the optimized structures. NMR calculations were evinced that 13C chemical shielding armchair (4,4 on the open ended and external surface is more sensitive to 15N and 17O molecules adsorption compared to armchair (4,4 nanotubes. However, NMR parameters vary with the tube diameter. Chemical shielding tensors of 15N and 17O on the surface increase to chemical shifts open ended in the physisorption and increase in the open ended to the surface of SWCNTs armchair (4, 4. DFT calculations were performed to calculate 14N and 17O NQR spectroscopy parameters in the representative considered model of (4, 4 armchair SWCNTs.

  20. Remote UV Fluorescence Lifetime Spectrometer Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The goal of this project is to develop, demonstrate, and deliver to NASA an innovative, portable, and power efficient Remote UV Fluorescence Lifetime Spectrometer...

  1. Portable Remote Imaging Spectrometer (PRISM) Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Develop an UV-NIR (350nm to 1050 nm) portable remote imaging spectrometer (PRISM) for flight on a variety of airborne platforms with high SNR and response...

  2. Long-Wave Infrared Dyson Spectrometer

    Science.gov (United States)

    Johnson, William R.; Hook, Simon J.; Mouroulis, Pantazis Z.; Wilson, Daniel W.; Gunapala, Sarath D.; Hill, Cory J.; Mumolo, Jason M.; Eng, Bjorn T.

    2008-01-01

    Preliminary results are presented for an ultra compact long-wave infrared slit spectrometer based on the dyson concentric design. The dyson spectrometer has been integrated in a dewar environment with a quantum well infrared photodetecor (QWIP), concave electron beam fabricated diffraction grating and ultra precision slit. The entire system is cooled to cryogenic temperatures to maximize signal to noise ratio performance, hence eliminating thermal signal from transmissive elements and internal stray light. All of this is done while maintaining QWIP thermal control. A general description is given of the spectrometer, alignment technique and predicated performance. The spectrometer has been designed for optimal performance with respect to smile and keystone distortion. A spectral calibration is performed with NIST traceable targets. A 2-point non-uniformity correction is performed with a precision blackbody source to provide radiometric accuracy. Preliminary laboratory results show excellent agreement with modeled noise equivalent delta temperature and detector linearity over a broad temperature range.

  3. Low Power Mass Spectrometer employing TOF Project

    Data.gov (United States)

    National Aeronautics and Space Administration — A low power Mass Spectrometer employing multiple time of flight circuits for parallel processing is possible with a new innovation in design of the Time of flight...

  4. Calibration of a photomultiplier array spectrometer

    Science.gov (United States)

    Bailey, Steven A.; Wright, C. Wayne; Piazza, Charles R.

    1989-01-01

    A systematic approach to the calibration of a photomultiplier array spectrometer is presented. Through this approach, incident light radiance derivation is made by recognizing and tracing gain characteristics for each photomultiplier tube.

  5. Low Power FPGA Based Spectrometer Project

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to design a general purpose reconfigurable wide bandwidth spectrometer for use in NASA's passive microwave missions, deep space network and radio...

  6. Electronically-Scanned Fourier-Transform Spectrometer

    Science.gov (United States)

    Breckinridge, J. B.; Ocallaghan, F. G.

    1984-01-01

    Instrument efficient, lightweight, and stable. Fourier-transform spectrometer configuration uses electronic, instead of mechanical, scanning. Configuration insensitive to vibration-induced sampling errors introduced into mechanically scanned systems.

  7. View of the Axial Field Spectrometer

    CERN Multimedia

    1980-01-01

    The Axial Field Spectrometer, with the vertical uranium/scintillator calorimeter and the central drift chamber retracted for service. One coil of the Open Axial Field Magnet is just visible to the right.

  8. ISLA: An Isochronous Spectrometer with Large Acceptances

    Energy Technology Data Exchange (ETDEWEB)

    Bazin, D., E-mail: bazin@nscl.msu.edu; Mittig, W.

    2013-12-15

    A novel type of recoil mass spectrometer and separator is proposed for the future secondary radioactive beams of the ReA12 accelerator at NSCL/FRIB, inspired from the TOFI spectrometer developed at the Los Alamos National Laboratory for online mass measurements. The Isochronous Spectrometer with Large Acceptances (ISLA) is able to achieve superior characteristics without the compromises that usually plague the design of large acceptance spectrometers. ISLA can provide mass-to-charge ratio (m/q) measurements to better than 1 part in 1000 by using an optically isochronous time-of-flight independent of the momentum vector of the recoiling ions, despite large acceptances of 20% in momentum and 64 msr in solid angle. The characteristics of this unique design are shown, including requirements for auxiliary detectors around the target and the various types of reactions to be used with the re-accelerated radioactive beams of the future ReA12 accelerator.

  9. Ruggedized Spectrometers Are Built for Tough Jobs

    Science.gov (United States)

    2015-01-01

    The Mars Curiosity Chemistry and Camera instrument, or ChemCam, analyzes the elemental composition of materials on the Red Planet by using a spectrometer to measure the wavelengths of light they emit. Principal investigator Roger Wiens worked with Ocean Optics, out of Dunedin, Florida, to rework the company's spectrometer to operate in cold and rowdy conditions and also during the stresses of liftoff. Those improvements have been incorporated into the firm's commercial product line.

  10. A Spectrometer Based on Diffractive Lens

    Institute of Scientific and Technical Information of China (English)

    WANG Daoyi; YAN Yingbai; JIN Guofan; WU Minxian

    2001-01-01

    A novel spectrometer is designed based on diffractive lens. It is essentially a flat field spectrometer. All the focal points are along the optical axis. Besides, all the asymmetrical aberrations vanish in our mounting. Thus low aberration can be obtained. In this article a diffractive lens is modeled as a special grating and analyzed by using a grating-based method. And a stigmatic point is introduced to reduce the aberrations.

  11. Design and construction of a NIR spectrometer

    CERN Document Server

    Barcala-Riveira, J M; Fernandez-Marron, J L; Molero-Menendez, F; Navarrete-Marin, J J; Oller-Gonzalez, J C

    2003-01-01

    This document describes the design and construction of a NIR spectrometer based on an acoustic-optic tunable filter. The spectrometer will be used for automatic identification of plastics in domestic waste. The system works between 1200 and 1800 nm. Instrument is controlled by a personal computer. Computer receives and analyses data. A software package has been developed to do these tasks. (Author) 27 refs.

  12. 1987 calibration of the TFTR neutron spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, C.W.; Strachan, J.D. (Los Alamos National Lab., NM (USA); Princeton Univ., NJ (USA). Plasma Physics Lab.)

    1989-12-01

    The {sup 3}He neutron spectrometer used for measuring ion temperatures and the NE213 proton recoil spectrometer used for triton burnup measurements were absolutely calibrated with DT and DD neutron generators placed inside the TFTR vacuum vessel. The details of the detector response and calibration are presented. Comparisons are made to the neutron source strengths measured from other calibrated systems. 23 refs., 19 figs., 6 tabs.

  13. Mass Spectrometer for Airborne Micro-Organisms

    Science.gov (United States)

    Sinha, M. P.; Friedlander, S. K.

    1986-01-01

    Bacteria and other micro-organisms identified continously with aid of new technique for producing samples for mass spectrometer. Technique generates aerosol of organisms and feeds to spectrometer. Given species of organism produces characteristic set of peaks in mass spectrum and thereby identified. Technique useful for monitoring bacterial makeup in environmental studies and in places where cleanliness is essential, such as hospital operating rooms, breweries, and pharmaceutical plants.

  14. Optical Calibration For Jefferson Lab HKS Spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    L. Yuan; L. Tang

    2005-11-04

    In order to accept very forward angle scattering particles, Jefferson Lab HKS experiment uses an on-target zero degree dipole magnet. The usual spectrometer optics calibration procedure has to be modified due to this on-target field. This paper describes a new method to calibrate HKS spectrometer system. The simulation of the calibration procedure shows the required resolution can be achieved from initially inaccurate optical description.

  15. A digital control system for neutron spectrometers

    DEFF Research Database (Denmark)

    Hansen, Knud Bent; Skaarup, Per

    1968-01-01

    A description is given of the principles of a digital system used to control neutron spectrometers. The system is composed of independent functional units with the control programme stored on punched paper tape or in a computer.......A description is given of the principles of a digital system used to control neutron spectrometers. The system is composed of independent functional units with the control programme stored on punched paper tape or in a computer....

  16. Sandia SWiFT Site Safe Work Planning Manual.

    Energy Technology Data Exchange (ETDEWEB)

    White, Jonathan

    2016-02-01

    The Department of Energy's Scaled Wind Farm Technology (SWiFT) facility provides research site with multiple wind turbines at a scale useful for the experimental study of wake dynamics, advanced rotor development, turbine control, and advanced sensing for production-scale wind farms. Safety of workers and the public is the top and overriding priority at SWiFT. Central to safe operations are formal planning processes . This manual provides an overview of test planning and work planning processes and requirements in adherence with the Sandia corporate Engineered Safety Work Planning and Control process. It is required reading for all SWiFT site staff, Sandia workers, and collaborators who oversee, conduct, or participate in test activities or who are involved in modifying Sandia SWiFT site assets.

  17. Contours - MO 2012 Greene County 5ft Contours (SHP)

    Data.gov (United States)

    NSGIC State | GIS Inventory — 5ft cartographic contour file for Greene County, Missouri. This file was created using the elevation data from the 2011 LiDAR flight. It includes indexes for 10, 25,...

  18. Transition redshift in $f(T)$ cosmology and observational constraints

    CERN Document Server

    Capozziello, Salvatore; Saridakis, Emmanuel N

    2015-01-01

    We extract constraints on the transition redshift $z_{tr}$, determining the onset of cosmic acceleration, predicted by an effective cosmographic construction, in the framework of $f(T)$ gravity. In particular, employing cosmography we obtain bounds on the viable $f(T)$ forms and their derivatives. Since this procedure is model independent, as long as the scalar curvature is fixed, we are able to determine intervals for $z_{tr}$. In this way we guarantee that the Solar-System constraints are preserved and moreover we extract bounds on the transition time and the free parameters of the scenario. We find that the transition redshifts predicted by $f(T)$ cosmology, although compatible with the standard $\\Lambda$CDM predictions, are slightly smaller. Finally, in order to obtain observational constraints on $f(T)$ cosmology, we perform a Monte Carlo fitting using supernova data, involving the most recent union 2.1 data set.

  19. Mapping Discrimination Experienced by Indonesian Trans* FtM Persons.

    Science.gov (United States)

    Gordon, Danny; Pratama, Mario Prajna

    2017-01-01

    This work sought to document how Indonesian trans* FtM persons experienced discrimination across the interlinked domains of social networks, religious and educational institutions, employment and the workplace, and health care institutions. Objectives were (1) to map the discrimination experienced by trans* FtM individuals in Indonesia, and (2) to establish the specific priorities of the Indonesian trans* FtM community. In-depth interviews, focus groups, and participant observation was used involving 14 respondents. Findings revealed that respondents experienced othering through rejection, misidentification, harassment, "correction," and bureaucratic discrimination across the five preestablished domains. Health care and a lack of information emerged as areas of particular concern for respondents. This work calls for health care that is sensitive to the needs of trans* FtM people coupled with high-quality information to alleviate the cycles through which discrimination is sustained.

  20. Contours - MO 2012 Greene County 5ft Contours (SHP)

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — 5ft cartographic contour file for Greene County, Missouri. This file was created using the elevation data from the 2011 LiDAR flight. It includes indexes for 10, 25,...

  1. Contours - MO 2012 Greene County NW 1ft Contours (SHP)

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — 1ft contour file for the northwest portion of Greene County, Missouri. This file was created using the USGS corrected elevation data from the 2011 LiDAR flight. It...

  2. Contours - MO 2012 Greene County SE 1ft Contours (SHP)

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — 1ft contour file for the southeast portion of Greene County, Missouri. This file was created using the USGS corrected elevation data from the 2011 LiDAR flight. It...

  3. Contours - MO 2012 Greene County SW 1ft Contours (SHP)

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — 1ft contour file for the southwest portion of Greene County, Missouri. This file was created using the USGS corrected elevation data from the 2011 LiDAR flight. It...

  4. Contours - MO 2012 Greene County NE 1ft Contours (SHP)

    Data.gov (United States)

    NSGIC GIS Inventory (aka Ramona) — 1ft contour file for the northeast portion of Greene County, Missouri. This file was created using the USGS corrected elevation data from the 2011 LiDAR flight. It...

  5. Characterization of Momordica charantia Ussing FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Attila Keseru

    2016-11-01

    In this paper, because earlier claim shows that the plant used as stomachic, carminative, tonic, antipyretic, antidiabetic, in rheumatoid arthritis and gout, the present investigation was carried to characterized a principal components of plant using FT-IR technique

  6. Data Sources for NetZero Ft Carson Model

    Data.gov (United States)

    U.S. Environmental Protection Agency — Table of values used to parameterize and evaluate the Ft Carson NetZero integrated Model with published reference sources for each value. This dataset is associated...

  7. Study of neutron spectrometers for ITER

    Energy Technology Data Exchange (ETDEWEB)

    Kaellne, Jan

    2005-11-15

    A review is presented of the developments in the field of neutron emission spectrometry (NES) which is of relevance for identifying the role of NES diagnostics on ITER and selecting suitable instrumentation. Neutron spectrometers will be part of the ITER neutron diagnostic complement and this study makes a special effort to examine which performance characteristics the spectrometers should possess to provide the best burning plasma diagnostic information together with neutron cameras and neutron yield monitors. The performance of NES diagnostics is coupled to how much interface space can be provided which has lead to an interest to find compact instruments and their NES capabilities. This study assesses all known spectrometer types of potential interest for ITER and makes a ranking of their performance (as demonstrated or projected), which, in turn, are compared with ITER measurement requirements as a reference; the ratio of diagnostic performance to interface cost for different spectrometers is also discussed for different spectrometer types. The overall result of the study is an assessment of which diagnostic functions neutron measurements can provide in burning plasma fusion experiments on ITER and the role that NES can play depending on the category of instrument installed. Of special note is the result that much higher quality diagnostic information can be obtained from neutron measurements with total yield monitors, profile flux cameras and spectrometers when the synergy in the data is considered in the analysis and interpretation.

  8. NIST Calibration of a Neutron Spectrometer ROSPEC.

    Science.gov (United States)

    Heimbach, Craig

    2006-01-01

    A neutron spectrometer was acquired for use in the measurement of National Institute of Standards and Technology neutron fields. The spectrometer included options for the measurement of low and high energy neutrons, for a total measurement range from 0.01 eV up to 17 MeV. The spectrometer was evaluated in calibration fields and was used to determine the neutron spectrum of an Americium-Beryllium neutron source. The calibration fields used included bare and moderated (252)Cf, monoenergetic neutron fields of 2.5 MeV and 14 MeV, and a thermal-neutron beam. Using the calibration values determined in this exercise, the spectrometer gives a good approximation of the neutron spectrum, and excellent values for neutron fluence, for all NIST calibration fields. The spectrometer also measured an Americium-Beryllium neutron field in a NIST exposure facility and determined the field quite well. The spectrometer measured scattering effects in neutron spectra which previously could be determined only by calculation or integral measurements.

  9. Thermodynamics of cosmological horizons in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Bamba, Kazuharu; Geng, Chao-Qiang, E-mail: bamba@kmi.nagoya-u.ac.jp, E-mail: geng@phys.nthu.edu.tw [Department of Physics, National Tsing Hua University, Hsinchu, Taiwan 300 (China)

    2011-11-01

    We explore thermodynamics of the apparent horizon in f(T) gravity with both equilibrium and non-equilibrium descriptions. We find the same dual equilibrium/non-equilibrium formulation for f(T) as for f(R) gravity. In particular, we show that the second law of thermodynamics can be satisfied for the universe with the same temperature outside and inside the apparent horizon.

  10. Thermodynamics of cosmological horizons in $f(T)$ gravity

    CERN Document Server

    Bamba, Kazuharu

    2011-01-01

    We explore thermodynamics of the apparent horizon in $f(T)$ gravity with both equilibrium and non-equilibrium descriptions. We find the same dual equilibrium/non-equilibrium formulation for $f(T)$ as for $f(R)$ gravity. In particular, we show that the second law of thermodynamics can be satisfied for the universe with the same temperature of the outside and inside the apparent horizon.

  11. Experimental study of the structure of chalcogenide glassy semiconductors in three-component systems of Ge-As-Se and As-Sb-Se by means of NQR and EPR spectroscopy

    Science.gov (United States)

    Bolebrukh, Olga; Sinyavsky, Nikolay; Korneva, Irina; Dobosz, Bernadeta; Ostafin, Michal; Nogaj, Boleslaw; Krzyminiewski, Ryszard

    2013-12-01

    The structure of chalcogenide glassy semiconductors in three-component systems of Ge-As-Se and As-Sb-Se has been studied by means of both NQR (nuclear quadrupole resonance) and EPR (electron paramagnetic resonance) spectroscopy. It is investigated that in the glasses of both systems the value of the electric field gradient at the resonating nuclei grows with increasing concentration of the clusters As2Se3 and Sb2Se3, thereby increasing the NQR resonance frequencies. It appears that for the Ge-As-Se system the structural transition from a two-dimensional to three-dimensional structure occurs at average coordination number bar r = 2.45. The EPR spectral parameters of glasses depend on the composition, the average coordination number and the temperature, and these are discussed. The effect of "ageing" for CGS (chalcogenide glassy semiconductors) of As-Sb-Se system due to partial crystallization of the sample is observed from the EPR spectra.

  12. NQR Study of Phase Transition and Cationic Motion in 4-NH{sub 2}C{sub 5}H{sub 4}NHBiBr{sub 4}.H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Niki, Haruio, E-mail: niki@sci.u-ryukyu.ac.jp; KINJOU, HIROAKI; FUKUMURA, TAICHI [University of the Ryukyus, Department of Physics, Faculty of Science (Japan); Terao, Hiromitsu; Yoshida, Mami [Tokushima University, Department of Chemistry, Faculty of Integrated Arts and Sciences (Japan); Hashimoto, Masao [Kobe University, Department of Chemistry, Faculty of Science (Japan)

    2004-12-15

    Four {sup 81}Br NQR lines in 4-NH{sub 2}C{sub 5}H{sub 4}NHBiBr{sub 4}.H{sub 2}O were observed in the temperature range between 77 and ca. 380 K; with increasing temperatures the respective sets of higher and lower two resonance lines coalesced into single lines discontinuously at 274 K, showing the occurrence of a first-order type phase transition of this crystal. The transition was confirmed with heat anomaly on a DTA curve. Each higher and lower line of high-temperature phase is assignable to the terminal Br atoms and the bridging ones of one-dimensional poly anions (BiBr{sub 4}{sup -}){sub n} in the crystal structure (C2/c), which was investigated by a X-ray structure analysis at room temperature. The 1/T{sub 1} temperature dependence of {sup 81}Br NQR follows the usual T{sup 2} law in the temperature range between 77 and ca. 140 K, being explained by fluctuation of the EFG at Br nucleus due to lattice vibrations. The T{sub 1} vs. 1/T curve in the temperature range between about 160 and 190 K was describable by the exponential curves, allowing us the estimation of activation energies. These exponential behaviors of T{sub 1} of {sup 81}Br NQR are attributable to the fluctuations caused by the thermal motion of 4-NH{sub 2}C{sub 5}H{sub 4}H{sup +} ions. Echo signals of the {sup 81}Br NQR could not be detected above 190 K owing to poor S/N with very short T{sub 2}.

  13. Has your ancient stamp been regummed with synthetic glue? A FT-NIR and FT-Raman study.

    Science.gov (United States)

    Simonetti, Remo; Oliveri, Paolo; Henry, Adrien; Duponchel, Ludovic; Lanteri, Silvia

    2016-01-01

    The potential of FT-NIR and FT-Raman spectroscopies to characterise the gum applied on the backside of ancient stamps was investigated for the first time. This represents a very critical issue for the collectors' market, since gum conditions heavily influence stamp quotations, and fraudulent application of synthetic gum onto damaged stamp backsides to increase their desirability is a well-documented practice. Spectral data were processed by exploratory pattern recognition tools. In particular, application of principal component analysis (PCA) revealed that both of the spectroscopic techniques provide information useful to characterise stamp gum. Examination of PCA loadings and their chemical interpretation confirmed the robustness of the outcomes. Fusion of FT-NIR and FT-Raman spectral data was performed, following both a low-level and a mid-level procedure. The results were critically compared with those obtained separately for the two spectroscopic techniques.

  14. NIR FT-Raman microspectroscopy of fluid inclusions: Comparisons with VIS Raman and FT-IR microspectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Pironon, J.; Dubessy, J. (CREGU and GDR CNRS-CREGU, Vandoeuvre-les-Nancy (France)); Sawatzki, J. (BRUKER Analytische Messtechnik Gmbh, Karlsruhe (Germany))

    1991-12-01

    The first Raman spectra of hydrocarbon inclusions using Fourier transform (FT) Raman microspectroscopy were obtained with a 1,064 nm laser excitation in the near-infrared range (NIR FT-Raman). Some inclusions reveal the typical CH vibrational bands of organic compounds, but most of the inclusions that are fluorescent during visible Raman microspectroscopy (514 nm excitation) are still fluorescent in the NIR range. These Raman spectra are presented and compared to the conventional visible (VIS) Raman and FT-IR spectra. For spectra obtained on the same nonfluorescent inclusion, the signal/background ratio is lower in NIR FT-Raman than in VIS Raman. This ratio should be improved by application of more sensitive detectors. The increase of the power density (laser power/impact laser area) could be a future improvement in the limit of thermal background excitation and pyrolysis of the oils trapped in inclusions.

  15. FT-Raman and FT-IR studies of 1:2.5 piroxicam: β-cyclodextrin inclusion compound

    Science.gov (United States)

    Bertoluzza, A.; Rossi, M.; Taddei, P.; Redenti, E.; Zanol, M.; Ventura, P.

    1999-05-01

    The FT-Raman and FT-IR spectra of amorphous 1:2.5 piroxicam (P): β-cyclodextrin (βCD) inclusion compound (PβCD) are presented and discussed in comparison with the spectra of the three main modifications of piroxicam (α,β and monohydrate). In the 1700-1200 cm -1 FT-Raman spectrum of 1:2.5 PβCD inclusion compound the bands of βCD are weak and covered by those stronger of piroxicam, differently from the FT-IR spectrum where the bands of βCD are stronger, so covering a large part of the spectrum. Typical FT-Raman marker bands are assigned for the characterization of the three modifications of piroxicam. The FT-Raman spectrum of 1:2.5 PβCD inclusion compound predominantly shows the bands at about 1465 and 1400 cm -1 of the monohydrate, indicating that piroxicam assumes the zwitterionic structure stabilized by interaction with βCD via electrostatic and hydrogen bonds. The dipolar character of 1:2.5 PβCD inclusion compound improves the solubility and the dissolution rate of piroxicam and thus its rate of absorption.

  16. An echelle diffraction grating for imaging spectrometer

    Science.gov (United States)

    Yang, Minyue; Wang, Han; Li, Mingyu; He, Jian-Jun

    2016-09-01

    We demonstrate an echelle diffraction grating (EDG) of 17 input waveguides and 33 output waveguides. For each input waveguide, only 17 of 33 output waveguides are used, receiving light ranging from 1520 nm to 1600 nm wavelength. The channel spacing of the EDG is 5 nm, with loss of -6dB and crosstalk of -17dB for center input waveguide and -15dB for edge input waveguides. Based on the 3 μm SOI platform the device is polarization insensitive. As a simple version of EDG spectrometer it is designed to be a part of the on-chip spectroscopic system of the push-broom scanning imaging spectrometer. The whole on-chip spectrometer consists of an optical on-off switch array, a multi-input EDG and detector array. With the help of on-off switch array the multiple input waveguides of the EDG spectrometer could work in a time division multiplexed fashion. Since the switch can scan very fast (less than 10 microseconds), the imaging spectrometer can be operated in push-broom mode. Due to the CMOS compatibility, the 17_channel EDG scales 2.5×3 mm2. The full version of EDG spectrometer is designed to have 129 input waveguides and 257 output waveguides (129 output channel for each input waveguide), working in wavelength ranging from 1250 nm to 1750 nm, and had similar blazed facet size with the 17_channel one, which means similar fabrication tolerance in grating facets. The waveguide EDG based imaging spectrometer can provide a low-cost solution for remote sensing on unmanned aerial vehicles, with advantages of small size, light weight, vibration-proof, and high scalability.

  17. The LASS (Larger Aperture Superconducting Solenoid) spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Aston, D.; Awaji, N.; Barnett, B.; Bienz, T.; Bierce, R.; Bird, F.; Bird, L.; Blockus, D.; Carnegie, R.K.; Chien, C.Y.

    1986-04-01

    LASS is the acronym for the Large Aperture Superconducting Solenoid spectrometer which is located in an rf-separated hadron beam at the Stanford Linear Accelerator Center. This spectrometer was constructed in order to perform high statistics studies of multiparticle final states produced in hadron reactions. Such reactions are frequently characterized by events having complicated topologies and/or relatively high particle multiplicity. Their detailed study requires a spectrometer which can provide good resolution in momentum and position over almost the entire solid angle subtended by the production point. In addition, good final state particle identification must be available so that separation of the many kinematically-overlapping final states can be achieved. Precise analyses of the individual reaction channels require high statistics, so that the spectrometer must be capable of high data-taking rates in order that such samples can be acquired in a reasonable running time. Finally, the spectrometer must be complemented by a sophisticated off-line analysis package which efficiently finds tracks, recognizes and fits event topologies and correctly associates the available particle identification information. This, together with complicated programs which perform specific analysis tasks such as partial wave analysis, requires a great deal of software effort allied to a very large computing capacity. This paper describes the construction and performance of the LASS spectrometer, which is an attempt to realize the features just discussed. The configuration of the spectrometer corresponds to the data-taking on K and K interactions in hydrogen at 11 GeV/c which took place in 1981 and 1982. This constitutes a major upgrade of the configuration used to acquire lower statistics data on 11 GeV/c K p interactions during 1977 and 1978, which is also described briefly.

  18. Bulk and integrated acousto-optic spectrometers for molecular astronomy with heterodyne spectrometers

    Science.gov (United States)

    Chin, G.; Buhl, D.; Florez, J. M.

    1981-01-01

    A survey of acousto-optic spectrometers for molecular astronomy is presented, noting a technique of combining the acoustic bending of a collimated coherent light beam with a Bragg cell followed by an array of sensitive photodetectors. This acousto-optic spectrometer has a large bandwidth, a large number of channels, high resolution, and is energy efficient. Receiver development has concentrated on high-frequency heterodyne systems for the study of the chemical composition of the interstellar medium. RF spectrometers employing acousto-optic diffraction cells are described. Acousto-optic techniques have been suggested for applications to electronic warfare, electronic countermeasures and electronic support systems. Plans to use integrated optics for the further miniaturization of acousto-optic spectrometers are described. Bulk acousto-optic spectrometers with 300 MHz and 1 GHz bandwidths are being developed for use in the back-end of high-frequency heterodyne receivers for astronomical research.

  19. Inflationary cosmology in unimodular $F(T)$ gravity

    CERN Document Server

    Bamba, Kazuharu; Saridakis, Emmanuel N

    2016-01-01

    We investigate the inflationary realization in the context of unimodular $F(T)$ gravity, which is based on the $F(T)$ modification of teleparallel gravity, in which one imposes the unimodular condition through the use of Lagrange multipliers. We develop the general reconstruction procedure of the $F(T)$ form that can give rise to a given scale-factor evolution, and then we apply it in the inflationary regime. We extract the Hubble slow-roll parameters that allow us to calculate various inflation-related observables, such as the scalar spectral index and its running, the tensor-to-scalar ratio, and the tensor spectral index. Then, we examine the particular cases of de Sitter and power-law inflation, of Starobinsky inflation, as well as inflation in a specific model of unimodular $F(T)$ gravity. As we show, in all cases the predictions of our scenarios are in a very good agreement with Planck observational data. Finally, inflation in unimodular $F(T)$ gravity has the additional advantage that it always allows f...

  20. Spherical collapse model in $f(T)$ cosmologies

    CERN Document Server

    Malekjani, M

    2016-01-01

    In this work, we extend the spherical collapse model (SCM) in the $f(T)$ gravity models. In the context of a specific form of $f(T)$ model, the so-called power law model, we first investigate the background evolution of the universe using the Friedmann Robertson Walker (FRW) metric in a flat geometry. We then follow the linear and non-linear evolutions of the growth of spherical overdensities in perturbation levels. In the linear phase of perturbations, we show that the growth factor of fluctuations depends strongly on the power-law parameter of $f(T)$ model, $b$. We also observe that in the non-linear regime the parameters of SCM depend on the model parameter $b$. We finally compare the predicted number of virialized haloes in the $f(T)$ cosmologies with respect to a concordance $\\Lambda$CDM model and find out that in general the $f(T)$ model with positive (negative) model parameter $b$ has more (less) abundant objects compare to the standard $\\Lambda$CDM universe.

  1. Inflationary cosmology in unimodular F(T) gravity

    Science.gov (United States)

    Bamba, Kazuharu; Odintsov, Sergei D.; Saridakis, Emmanuel N.

    2017-07-01

    We investigate the inflationary realization in the context of unimodular F(T) gravity, which is based on the F(T) modification of teleparallel gravity, in which one imposes the unimodular condition through the use of Lagrange multipliers. We develop the general reconstruction procedure of the F(T) form that can give rise to a given scale-factor evolution, and then we apply it in the inflationary regime. We extract the Hubble slow-roll parameters that allow us to calculate various inflation-related observables, such as the scalar spectral index and its running, the tensor-to-scalar ratio, and the tensor spectral index. Then, we examine the particular cases of de Sitter and power-law inflation, of Starobinsky inflation, as well as inflation in a specific model of unimodular F(T) gravity. As we show, in all cases the predictions of our scenarios are in a very good agreement with Planck observational data. Finally, inflation in unimodular F(T) gravity has the additional advantage that it always allows for a graceful exit for specific regions of the model parameters.

  2. Fast neutron detection with a segmented spectrometer

    Science.gov (United States)

    Langford, T. J.; Bass, C. D.; Beise, E. J.; Breuer, H.; Erwin, D. K.; Heimbach, C. R.; Nico, J. S.

    2015-01-01

    A fast neutron spectrometer consisting of segmented plastic scintillator and 3He proportional counters was constructed for the measurement of neutrons in the energy range 1-200 MeV. We discuss its design, principles of operation, and the method of analysis. The detector is capable of observing very low neutron fluxes in the presence of ambient gamma background and does not require scintillator pulse-shape discrimination. The spectrometer was characterized for its energy response in fast neutron fields of 2.5 MeV and 14 MeV, and the results are compared with Monte Carlo simulations. Measurements of the fast neutron flux and energy response at 120 m above sea-level (39.130°N, 77.218°W) and at a depth of 560 m in a limestone mine are presented. Finally, the design of a spectrometer with improved sensitivity and energy resolution is discussed.

  3. Digital Logarithmic Airborne Gamma Ray Spectrometer

    CERN Document Server

    Zeng, GuoQiang; Li, Chen; Tan, ChengJun; Ge, LiangQuan; Gu, Yi; Cheng, Feng

    2014-01-01

    A new digital logarithmic airborne gamma ray spectrometer is designed in this study. The spectrometer adopts a high-speed and high-accuracy logarithmic amplifier (LOG114) to amplify the pulse signal logarithmically and to improve the utilization of the ADC dynamic range, because the low-energy pulse signal has a larger gain than the high-energy pulse signal. The spectrometer can clearly distinguish the photopeaks at 239, 352, 583, and 609keV in the low-energy spectral sections after the energy calibration. The photopeak energy resolution of 137Cs improves to 6.75% from the original 7.8%. Furthermore, the energy resolution of three photopeaks, namely, K, U, and Th, is maintained, and the overall stability of the energy spectrum is increased through potassium peak spectrum stabilization. Thus, effectively measuring energy from 20keV to 10MeV is possible.

  4. Digital logarithmic airborne gamma ray spectrometer

    Science.gov (United States)

    Zeng, Guo-Qiang; Zhang, Qing-Xian; Li, Chen; Tan, Cheng-Jun; Ge, Liang-Quan; Gu, Yi; Cheng, Feng

    2014-07-01

    A new digital logarithmic airborne gamma ray spectrometer is designed in this study. The spectrometer adopts a high-speed and high-accuracy logarithmic amplifier (LOG114) to amplify the pulse signal logarithmically and to improve the utilization of the ADC dynamic range because the low-energy pulse signal has a larger gain than the high-energy pulse signal. After energy calibration, the spectrometer can clearly distinguish photopeaks at 239, 352, 583 and 609 keV in the low-energy spectral sections. The photopeak energy resolution of 137Cs improves to 6.75% from the original 7.8%. Furthermore, the energy resolution of three photopeaks, namely, K, U, and Th, is maintained, and the overall stability of the energy spectrum is increased through potassium peak spectrum stabilization. Thus, it is possible to effectively measure energy from 20 keV to 10 MeV.

  5. A compact multichannel spectrometer for Thomson scattering

    Energy Technology Data Exchange (ETDEWEB)

    Schoenbeck, N. L.; Schlossberg, D. J.; Dowd, A. S.; Fonck, R. J.; Winz, G. R. [Department of Engineering Physics, University of Wisconsin, Madison, Wisconsin 53706 (United States)

    2012-10-15

    The availability of high-efficiency volume phase holographic (VPH) gratings and intensified CCD (ICCD) cameras have motivated a simplified, compact spectrometer for Thomson scattering detection. Measurements of T{sub e} < 100 eV are achieved by a 2971 l/mm VPH grating and measurements T{sub e} > 100 eV by a 2072 l/mm VPH grating. The spectrometer uses a fast-gated ({approx}2 ns) ICCD camera for detection. A Gen III image intensifier provides {approx}45% quantum efficiency in the visible region. The total read noise of the image is reduced by on-chip binning of the CCD to match the 8 spatial channels and the 10 spectral bins on the camera. Three spectrometers provide a minimum of 12 spatial channels and 12 channels for background subtraction.

  6. A compact multichannel spectrometer for Thomson scattering.

    Science.gov (United States)

    Schoenbeck, N L; Schlossberg, D J; Dowd, A S; Fonck, R J; Winz, G R

    2012-10-01

    The availability of high-efficiency volume phase holographic (VPH) gratings and intensified CCD (ICCD) cameras have motivated a simplified, compact spectrometer for Thomson scattering detection. Measurements of T(e) VPH grating and measurements T(e) > 100 eV by a 2072 l∕mm VPH grating. The spectrometer uses a fast-gated (~2 ns) ICCD camera for detection. A Gen III image intensifier provides ~45% quantum efficiency in the visible region. The total read noise of the image is reduced by on-chip binning of the CCD to match the 8 spatial channels and the 10 spectral bins on the camera. Three spectrometers provide a minimum of 12 spatial channels and 12 channels for background subtraction.

  7. Fast Neutron Detection with a Segmented Spectrometer

    CERN Document Server

    Langford, T J; Beise, E J; Breuer, H; Erwin, D K; Heimbach, C R; Nico, J S

    2014-01-01

    A fast neutron spectrometer consisting of segmented plastic scintillator and He-3 proportional counters was constructed for the measurement of neutrons in the energy range 1 MeV to 200 MeV. We discuss its design, principles of operation, and the method of analysis. The detector is capable of observing very low neutron fluxes in the presence of ambient gamma background and does not require scintillator pulse-shape discrimination The spectrometer was characterized for energy resolution and efficiency in fast neutron fields of 2.5 MeV, 14 MeV, and fission spectrum neutrons, and the results are compared with Monte Carlo simulations. Measurements of the fast neutron flux and energy response at 120 m above sea-level (39.130 deg. N, 77.218 deg. W) and at a depth of 560 m in a limestone mine are presented. Finally, the design of a spectrometer with improved sensitivity and energy resolution is discussed.

  8. Gas-dust-impact mass spectrometer

    CERN Document Server

    Semkin, N D; Myasnikov, S V; Pomelnikov, R A

    2002-01-01

    Paper describes design of a mass spectrometer to study element composition of micro meteorite and man-made particles in space. Paper describes a way to improve resolution of mass spectrometer based on variation of parameters of accelerating electric field in time. The advantage of the given design of mass spectrometer in comparison with similar ones is its large operating area and higher resolution at the comparable weight and dimensions. Application of a combined design both for particles and for gas enables to remove space vehicle degassing products from the spectrum and, thus, to improve reliability of the acquired information, as well as, to acquire information on a gas component of the external atmosphere of a space vehicle

  9. Fast neutron detection with a segmented spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Langford, T.J., E-mail: thomas.langford@yale.edu [Department of Physics, University of Maryland, College Park, MD 20742 (United States); Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, MD 20742 (United States); Bass, C.D. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Beise, E.J.; Breuer, H.; Erwin, D.K. [Department of Physics, University of Maryland, College Park, MD 20742 (United States); Heimbach, C.R.; Nico, J.S. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)

    2015-01-21

    A fast neutron spectrometer consisting of segmented plastic scintillator and {sup 3}He proportional counters was constructed for the measurement of neutrons in the energy range 1–200 MeV. We discuss its design, principles of operation, and the method of analysis. The detector is capable of observing very low neutron fluxes in the presence of ambient gamma background and does not require scintillator pulse-shape discrimination. The spectrometer was characterized for its energy response in fast neutron fields of 2.5 MeV and 14 MeV, and the results are compared with Monte Carlo simulations. Measurements of the fast neutron flux and energy response at 120 m above sea-level (39.130°N, 77.218°W) and at a depth of 560 m in a limestone mine are presented. Finally, the design of a spectrometer with improved sensitivity and energy resolution is discussed.

  10. A compact multichannel spectrometer for Thomson scatteringa)

    Science.gov (United States)

    Schoenbeck, N. L.; Schlossberg, D. J.; Dowd, A. S.; Fonck, R. J.; Winz, G. R.

    2012-10-01

    The availability of high-efficiency volume phase holographic (VPH) gratings and intensified CCD (ICCD) cameras have motivated a simplified, compact spectrometer for Thomson scattering detection. Measurements of Te VPH grating and measurements Te > 100 eV by a 2072 l/mm VPH grating. The spectrometer uses a fast-gated (˜2 ns) ICCD camera for detection. A Gen III image intensifier provides ˜45% quantum efficiency in the visible region. The total read noise of the image is reduced by on-chip binning of the CCD to match the 8 spatial channels and the 10 spectral bins on the camera. Three spectrometers provide a minimum of 12 spatial channels and 12 channels for background subtraction.

  11. CAPRICE98: A balloon borne magnetic spectrometer to study cosmic ray antimatter and composition at different atmospheric depths

    Energy Technology Data Exchange (ETDEWEB)

    Ambriola, M.L.; Barbiellini, G.; Bartalucci, S.; Basini, G.; Bellotti, R.; Bergstroem, D.; Bocciolini, M.; Boezio, M.; Bravar, U.; Cafagna, F.; Carlson, P.; Casolino, M.; Castellano, M.; Ciacio, F.; Circella, M.; De Marzo, C.; De Pascale, M.P.; Finetti, N.; Francke, T.; Hof, M.; Kremer, J.; Menn, W.; Mitchell, J.W.; Morselli, A.; Ormes, J.F.; Papini, P.; Perego, A.; Piccardi, S.; Picozza, P.; Ricci, M.; Schiavon, P.; Simon, M.; Sparvoli, R.; Spillantini, P.; Stephens, S.A.; Stochaj, S.J.; Streitmatter, R.E.; Suffert, M.; Vacchi, A.; Weber, N.; Zampa, N

    1999-08-01

    CAPRICE98 is a superconducting magnetic spectrometer built by the WiZard collaboration. It was launched from Ft. Sumner, NM, USA on the 28th of May 1998. For the first time a gas RICH detector has been flown together with a silicon electromagnetic calorimeter. The instrument configuration included a time of flight detector and a drift chamber stack, which were placed in the region of a magnet field, for rigidity measurement. Science objectives for this experiment include the study of antimatter in cosmic rays and that of cosmic ray composition in the atmosphere with special focus on muons.

  12. 15 cm$^{-1}$ to 12000 cm$^{-1}$ spectral coverage without changing optics: diamond beam splitter adaptation of an FTIR spectrometer

    CERN Document Server

    Strelnikov, Dmitry; Sürgers, Christoph; Kappes, Manfred

    2016-01-01

    In order to facilitate IR absorption measurements of mass-selected ions isolated in cryogenic matrices, we have upgraded an ion beam deposition apparatus encompassing a Bruker IFS66v/S FTIR spectrometer. A synthetic diamond beam splitter without compensator plate and UHV diamond viewports were installed. We have also modified the IR detector chamber to allow measurements with 5 different detectors. As a result we can now obtain FT absorption spectra from 12000 cm$^{-1}$ to 15 cm$^{-1}$ with the same sample held under ultrahigh vacuum conditions, simply by switching between appropriate IR detectors. We demonstrate performance of the upgraded FTIR spectrometer by presenting measurements of matrix isolated fullerene ions and an adhesive tape.

  13. Vacuum system for the SAMURAI spectrometer

    Science.gov (United States)

    Shimizu, Y.; Otsu, H.; Kobayashi, T.; Kubo, T.; Motobayashi, T.; Sato, H.; Yoneda, K.

    2013-12-01

    The first commissioning experiment of the SAMURAI spectrometer and its beam line was performed in March, 2012. The vacuum system for the SAMURAI spectrometer includes its beam line and the SAMURAI vacuum chamber with the windows for detecting neutrons and charged particles. The window for neutrons was made of stainless steel with a thickness of 3 mm and was designed with a shape of partial cylinder to support itself against the atmospheric pressure. The window for charged particles was of the combination of Kevlar and Mylar with the thickness of 280 and 75 μm, respectively. The pressure in the vacuum system was at a few Pa throughout the commissioning experiment.

  14. SAMURAI spectrometer for RI beam experiments

    Science.gov (United States)

    Kobayashi, T.; Chiga, N.; Isobe, T.; Kondo, Y.; Kubo, T.; Kusaka, K.; Motobayashi, T.; Nakamura, T.; Ohnishi, J.; Okuno, H.; Otsu, H.; Sako, T.; Sato, H.; Shimizu, Y.; Sekiguchi, K.; Takahashi, K.; Tanaka, R.; Yoneda, K.

    2013-12-01

    A large-acceptance multiparticle spectrometer SAMURAI has been constructed at the RIKEN RI Beam Factory (RIBF) for RI beam experiments. It was designed primarily for kinematically complete experiments such as the invariant-mass spectroscopy of particle-unbound states in exotic nuclei, by detecting heavy fragments and projectile-rapidity nucleons in coincidence. The system consists of a superconducting dipole magnet, beam line detectors, heavy fragment detectors, neutron detectors, and proton detectors. The SAMURAI spectrometer was commissioned in March 2012, and a rigidity resolution of about 1/1500 was obtained for RI beams up to 2.4 GeV/c.

  15. SAMURAI spectrometer for RI beam experiments

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, T., E-mail: kobayash@lambda.phys.tohoku.ac.jp [Department of Physics, Tohoku University, Aoba, Sendai 980-8578 (Japan); Chiga, N. [Department of Physics, Tohoku University, Aoba, Sendai 980-8578 (Japan); Isobe, T. [RIKEN Nishina Center, Wako, Saitama 351-0198 (Japan); Kondo, Y. [Department of Physics, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan); Kubo, T.; Kusaka, K.; Motobayashi, T. [RIKEN Nishina Center, Wako, Saitama 351-0198 (Japan); Nakamura, T. [Department of Physics, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan); Ohnishi, J.; Okuno, H.; Otsu, H. [RIKEN Nishina Center, Wako, Saitama 351-0198 (Japan); Sako, T. [Department of Physics, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan); Sato, H.; Shimizu, Y. [RIKEN Nishina Center, Wako, Saitama 351-0198 (Japan); Sekiguchi, K.; Takahashi, K. [Department of Physics, Tohoku University, Aoba, Sendai 980-8578 (Japan); Tanaka, R. [Department of Physics, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan); Yoneda, K. [RIKEN Nishina Center, Wako, Saitama 351-0198 (Japan)

    2013-12-15

    A large-acceptance multiparticle spectrometer SAMURAI has been constructed at the RIKEN RI Beam Factory (RIBF) for RI beam experiments. It was designed primarily for kinematically complete experiments such as the invariant-mass spectroscopy of particle-unbound states in exotic nuclei, by detecting heavy fragments and projectile-rapidity nucleons in coincidence. The system consists of a superconducting dipole magnet, beam line detectors, heavy fragment detectors, neutron detectors, and proton detectors. The SAMURAI spectrometer was commissioned in March 2012, and a rigidity resolution of about 1/1500 was obtained for RI beams up to 2.4 GeV/c.

  16. Acousto-optic spectrometer for radio astronomy

    Science.gov (United States)

    Chin, G.; Buhl, D.; Florez, J. M.

    1980-01-01

    A prototype acousto-optic spectrometer which uses a discrete bulk acoustic wave Itek Bragg cell, 5 mW Helium Neon laser, and a 1024 element Reticon charge coupled photodiode array is described. The analog signals from the photodiode array are digitized, added, and stored in a very high speed custom built multiplexer board which allows synchronous detection of weak signals to be performed. The experiment is controlled and the data are displayed and stored with an LSI-2 microcomputer system with dual floppy discs. The performance of the prototype acousto-optic spectrometer obtained from initial tests is reported.

  17. Wide size range fast integrated mobility spectrometer

    Science.gov (United States)

    Wang, Jian

    2013-10-29

    A mobility spectrometer to measure a nanometer particle size distribution is disclosed. The mobility spectrometer includes a conduit and a detector. The conduit is configured to receive and provide fluid communication of a fluid stream having a charged nanometer particle mixture. The conduit includes a separator section configured to generate an electrical field of two dimensions transverse to a dimension associated with the flow of the charged nanometer particle mixture through the separator section to spatially separate charged nanometer particles of the charged nanometer particle mixture in said two dimensions. The detector is disposed downstream of the conduit to detect concentration and position of the spatially-separated nanometer particles.

  18. Upgrade of an old Raman Spectrometer

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Berg, Rolf W.; Stenby, Erling Halfdan

    2004-01-01

    Improvement of a conventional Jeol Raman spectrometer with a single channel photo multiplier detector is described. New optical components (fibres, mirror, lens and CCD detector) have been chosen to design a high quality and easy-to-use instrument. Tests have shown that with this modified...... spectrometer Raman spectra can be acquired of a quality comparable to the spectra obtained previously, but the time needed to obtain a spectrum is markedly reduced. Selected test spectra and a simple calibration procedure to obtain the wavenumber values from the band CCD pixel position are presented....

  19. Preliminary results from a new spin spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J.G.; Bedrossian, P.J. [Lawrence Livermore National Lab., CA (United States); Cummins, T.R. [Univ. of Missouri, Rolla, MO (United States). Dept. of Physics] [and others

    1998-12-31

    The first preliminary results from a novel spectrometer for elementally-specific measurements of magnetic surfaces and ultrathin films are presented here. The key measurements are based upon spin-resolving and photon-dichroic photoelectron spectroscopy. True spin-resolution is achieved by the use of a Mini-Mott detection scheme. The photon-dichroic measurements include the variant magnetic x-ray linear dichroism (MXLD). Both a multi-channel, energy dispersive collection scheme as well as the spin-detecting Mini-Mott apparatus are used in data collection. The Spin Spectrometer is based at the Spectromicroscopy Facility (Beamline 7) at the Advanced Light Source.

  20. A 4[pi] dilepton spectrometer: PEPSI

    Energy Technology Data Exchange (ETDEWEB)

    Buda, A. (Kernfysisch Versneller Inst., Groningen (Netherlands)); Bacelar, J.C.S. (Kernfysisch Versneller Inst., Groningen (Netherlands)); Balanda, A. (Kernfysisch Versneller Inst., Groningen (Netherlands)); Klinken, J. van (Kernfysisch Versneller Inst., Groningen (Netherlands)); Sujkowski, Z. (Kernfysisch Versneller Inst., Groningen (Netherlands)); Woude, A. van der (Kernfysisch Versneller Inst., Groningen (Netherlands))

    1993-11-01

    A novel positron-electron pair spectroscopy instrument (PEPSI) was designed to measure transitions in the energy region 10-40 MeV. It consists of Nd[sub 2]Fe[sub 14]B permanent magnets forming a compact 4[pi] magnetic filter consisting of 12 positron and 20 electron mini-orange-like spectrometers. The response function of PEPSI has been measured with mono-energetic beams of electrons from 5 to 20 MeV. The PEPSI spectrometer was used for measuring the internal pair conversion coefficient ([alpha][sub [pi

  1. Upgrade of an old Raman Spectrometer

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Berg, Rolf W.; Stenby, Erling Halfdan

    2004-01-01

    Improvement of a conventional Jeol Raman spectrometer with a single channel photo multiplier detector is described. New optical components (fibres, mirror, lens and CCD detector) have been chosen to design a high quality and easy-to-use instrument. Tests have shown that with this modified...... spectrometer Raman spectra can be acquired of a quality comparable to the spectra obtained previously, but the time needed to obtain a spectrum is markedly reduced. Selected test spectra and a simple calibration procedure to obtain the wavenumber values from the band CCD pixel position are presented....

  2. Cosmological viability conditions for f(T) dark energy models

    Energy Technology Data Exchange (ETDEWEB)

    Setare, M.R.; Mohammadipour, N., E-mail: rezakord@ipm.ir, E-mail: N.Mohammadipour@uok.ac.ir [Department of Science, University of Kurdistan, Sanandaj (Iran, Islamic Republic of)

    2012-11-01

    Recently f(T) modified teleparallel gravity where T is the torsion scalar has been proposed as the natural gravitational alternative for dark energy. We perform a detailed dynamical analysis of these models and find conditions for the cosmological viability of f(T) dark energy models as geometrical constraints on the derivatives of these models. We show that in the phase space exists two cosmologically viable trajectory which (i) The universe would start from an unstable radiation point, then pass a saddle standard matter point which is followed by accelerated expansion de sitter point. (ii) The universe starts from a saddle radiation epoch, then falls onto the stable matter era and the system can not evolve to the dark energy dominated epoch. Finally, for a number of f(T) dark energy models were proposed in the more literature, the viability conditions are investigated.

  3. Stability of anisotropic compact objects in f(T) gravity

    Science.gov (United States)

    Bhatti, M. Zaeem-Ul-Haq; Yousaf, Z.; Hanif, Sonia

    2017-03-01

    We exhibit the dynamical instability of cylindrical compact object in the gravitational field of f(T) gravity, which is the simplest modification of teleparallel theory (TPT). We explore the field equations and conservation laws to provide the extra degrees of freedom governed by f(T) gravity. We investigate the behavior of small perturbations on geometric and material profile in the background of collapsing fluid configuration. The un/stable eras are studied under Newtonian (N) and post-Newtonian (pN) approximations. Our results show that the stiffness parameter has major role in determining the un/stable epochs of cylindrical object. The dark source terms of f(T) gravity lead to relatively more unstable configuration during its evolutionary process.

  4. Vibrational microspectroscopy of food. Raman vs. FT-IR

    DEFF Research Database (Denmark)

    Thygesen, Lisbeth Garbrecht; Løkke, Mette Marie; Micklander, Elisabeth

    2003-01-01

    FT-IR and Raman spectroscopy are complementary techniques for the study of molecular vibrations and structure. The combination with a microscope results in an analytical method that allows spatially resolved investigation of the chemical composition of heterogeneous foods and food ingredients....... The high spatial resolution makes it possible to study areas down to approximately 10x10 mum with FT-IR microspectroscopy and approximately 1 x 1 mum with Raman microspectroscopy. This presentation highlights the advantages and disadvantages of the two microspectroscopic techniques when applied...... to different heterogeneous food systems. FT-IR and Raman microspectroscopy were applied to a number of different problems related to food analysis: (1) in situ determination of starch and pectin in the potato cell, (2) in situ determination of the distribution of amygdalin in bitter almonds, (3...

  5. Astrophysical flows near $f(T)$ gravity black holes

    CERN Document Server

    Ahmed, Ayyesha K; Bahamonde, Sebastian; Capozziello, Salvatore; Jamil, Mubasher

    2016-01-01

    In this paper, we study the accretion process for fluids flowing near a black hole in the context of $f(T)$ teleparallel gravity. Specifically, by performing a dynamical analysis by a Hamiltonian system, we are able to find the sonic points. After that, we consider different isothermal test fluids in order to study the accretion process when they are falling onto the black hole. We found that these flows can be classified according to the equation of state and the black hole features. Results are compared in $f(T)$ and $f(R)$ gravity.

  6. Organic Scintillator Detector Response Simulations with DRiFT

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, Madison Theresa [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bates, Cameron Russell [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mckigney, Edward Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rising, Michael Evan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pinilla, Maria Isabel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Solomon, Jr., Clell Jeffrey [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sood, Avneet [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-12-19

    Accurate detector modeling is a requirement to design systems in many non-proliferation scenarios; by determining a Detector’s Response Function (DRF) to incident radiation, it is possible characterize measurements of unknown sources. DRiFT is intended to post-process MCNP® output and create realistic detector spectra. Capabilities currently under development include the simulation of semiconductor, gas, and (as is discussed in this work) scintillator detector physics. Energy spectra and pulse shape discrimination (PSD) trends for incident photon and neutron radiation have been reproduced by DRiFT.

  7. Astrophysical flows near f(T) gravity black holes

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Ayyesha K.; Jamil, Mubasher [National University of Sciences and Technology (NUST), Department of Mathematics, School of Natural Sciences (SNS), Islamabad (Pakistan); Azreg-Ainou, Mustapha [Baskent University, Baglica Campus, Engineering Faculty, Ankara (Turkey); Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Capozziello, Salvatore [Universita di Napoli ' ' Federico II' ' , Dipartimento di Fisica, Naples (Italy); Gran Sasso Science Institute (INFN), L' Aquila (Italy); INFN Sezione di Napoli, Naples (Italy)

    2016-05-15

    In this paper, we study the accretion process for fluids flowing near a black hole in the context of f(T) teleparallel gravity. Specifically, by performing a dynamical analysis by a Hamiltonian system, we are able to find the sonic points. After that, we consider different isothermal test fluids in order to study the accretion process when they are falling onto the black hole. We find that these flows can be classified according to the equation of state and the black hole features. Results are compared in f(T) and f(R) gravity. (orig.)

  8. Raman and FT-IR studies of ocular tissues

    Science.gov (United States)

    Ozaki, Yukihiro; Mizuno, Aritake

    1991-05-01

    Two examples of Raman and FT-IR studies of the ocular tissues are reviewed in this paper. The first example treats Raman studies on cataract development cataract-related lens hydration and structural changes in the lens proteins monitored in situ by Raman spectroscopy are described. The second example is concerned with FT-IR studies on the ocular tissues contain ing collagen nondestructive identification of Type I and IV collagen in the tissues and their structural differences elucidated by infrared spectroscopy are discussed. 1 .

  9. Remnant Symmetry, Propagation and Evolution in f(T) Gravity

    CERN Document Server

    Chen, Pisin; Nester, James M; Ong, Yen Chin

    2014-01-01

    It was recently argued that f(T) gravity could inherit "remnant symmetry" from the full Lorentz group, despite the fact that the theory is not locally Lorentz invariant. Confusion has arisen regarding the implication of this result for the previous works, which established that f(T) gravity is pathological due to superluminal propagation, local acausality, and non-unique time evolution. We clarify that the existence of the "remnant group" does not rid the theory of these various problems, but instead strongly supports it.

  10. Regulation of FT splicing by an endogenous cue in temperate grasses.

    Science.gov (United States)

    Qin, Zhengrui; Wu, Jiajie; Geng, Shuaifeng; Feng, Nan; Chen, Fengjuan; Kong, Xingchen; Song, Gaoyuan; Chen, Kai; Li, Aili; Mao, Long; Wu, Liang

    2017-02-01

    Appropriate flowering timing is crucial for plant reproductive success. The florigen, FLOWERING LOCUS T (FT), interacts with 14-3-3 proteins and the bZIP transcription factor FD, functioning at core nodes in multiple flowering pathways. There are two FT homologues, FT1 and FT2, in Brachypodium distachyon. Here we show that FT2 undergoes age-dependent alternative splicing (AS), resulting in two splice variants (FT2α and FT2β). The FT2β-encoded protein cannot interact with FD or 14-3-3s but is able to form heterodimers with FT2α and FT1, thereby interfering with the florigen-mediated assembly of the flowering initiation complex. Notably, transgenic plants overproducing FT2β exhibit delayed flowering, while transgenic plants in which FT2β is silenced by an artificial microRNA display accelerated flowering, demonstrating a dominant-negative role of FT2β in flowering induction. Furthermore, we show that the AS splicing of FT2 is conserved in important cereal crops, such as barley and wheat. Collectively, these findings reveal a novel posttranscriptional mode of FT regulation in temperate grasses.

  11. {sup 127}I NQR and {sup 1}H NMR studies of 4-aminopyridinium tetraiodoantimonate(III); molecular motion and phase transition

    Energy Technology Data Exchange (ETDEWEB)

    Terao, Hiromitsu, E-mail: htterao@yahoo.co.jp; Kai, Yoshihiko; Kita, Kazuyo [Tokushima University, Faculty of Integrated Arts and Sciences (Japan); Furukawa, Yoshihiro [Hiroshima University, Faculty of Education (Japan)

    2010-06-15

    The crystals of 4-NH{sub 2}PyHSbI{sub 4} (Py = C{sub 5}H{sub 4}N) have been investigated by means of {sup 127}I NQR, {sup 1}H NMR T{sub 1} and DTA. The crystals can exist in two modifications of {beta} and {alpha}(I) at room temperatures. The {alpha}(I)-phase is a metastable state which is obtained when the stable {beta} form is heated. The {alpha}(I)-phase undergoes a first-order type phase transition of {alpha}(I) {r_reversible} {alpha}(II) at 272 K (on heating), while the {beta}-phase is stable down to 77 K. Four and two {sup 127}I (m = {+-}1/2 {r_reversible} {+-}3/2) NQR lines have been found for the {beta}- and {alpha}(II)-phases, respectively. One half of them is assignable to the terminal I atom(s) and the other to the bridging I atom(s) in each phase. All the resonance lines of the {alpha}(II)-phase underwent a disappearance above ca. 240 K and no resonance line was observed in the {alpha}(I)-phase. The second moment M{sub 2} value of {sup 1}H NMR spectra with 8 G{sup 2} at 290 K shows that the 4-NH{sub 2}PyH{sup + } cations reside in the rigid lattice in the {beta}-phase. In contrast, in the {alpha}(I)-phase the cation rotates about an axis more symmetric than pseudo threefold axis. The activation energy of 21 kJ mol{sup - 1} was estimated for the reorientational motion in the {alpha}(I)-phase from the {sup 1}H NMR T{sub 1} measurements. The nature of phase transitions in the 4-NH{sub 2}PyHSbI{sub 4} is discussed in comparison with that in 4-NH{sub 2}PyHSbBr{sub 4}.

  12. Hybrid plasmon photonic crystal resonance grating for integrated spectrometer biosensor.

    Science.gov (United States)

    Guo, Hong; Guo, Junpeng

    2015-01-15

    Using nanofabricated hybrid metal-dielectric nanohole array photonic crystal gratings, a hybrid plasmonic optical resonance spectrometer biosensor is demonstrated. The new spectrometer sensor technique measures plasmonic optical resonance from the first-order diffraction rather than via the traditional method of measuring optical resonance from transmission. The resonance spectra measured with the new spectrometer technique are compared with the spectra measured using a commercial optical spectrometer. It is shown that the new optical resonance spectrometer can be used to measure plasmonic optical resonance that otherwise cannot be measured with a regular optical spectrometer.

  13. FT-IR, FT-Raman spectroscopic study of carotenoids from saffron ( Crocus sativus L.) and some derivatives

    Science.gov (United States)

    Tarantilis, Petros A.; Beljebbar, Abdelilah; Manfait, Michel; Polissiou, Moschos

    1998-04-01

    The carotenoids of saffron, crocins (CRCs), were extracted and their derivatives, dimethylcrocetin (DMCRT) and crocetin (CRT) were prepared from the extract by alkaline hydrolysis in methanol (DMCRT) and by alkaline hydrolysis in water followed by acidification (CRT), respectively. FT-IR, FT-Raman spectroscopies were used to study these compounds. The FT-IR spectra of CRCs, DMCRT and CRT have characteristic absorbance bands between 1706 and 1664 cm -1 ( νCO) and in the region between 1243 and 1228 cm -1 ( νC-O). Two main Raman lines were observed near 1540 and 1166 cm -1 which are respectively assigned to ( νCC) and ( νC-C) stretching modes.

  14. IR spectrometer project for the BTA telescope

    Science.gov (United States)

    Afanasiev, V. L.; Emelianov, E. V.; Murzin, V. A.; Vdovin, V. F.

    2013-07-01

    We introduce a project of new cooled infrared spectrometer-photometer for 6-m telescope BTA (Special Astrophysical Observatory of Russian Science Academy). The device would extend the wavelength range accessible for observations on the 6-m BTA telescope toward near infrared (0.8-2.5 um).

  15. A 4-PI DILEPTON SPECTROMETER - PEPSI

    NARCIS (Netherlands)

    BUDA, A; BACELAR, JCS; BALANDA, A; VANKLINKEN, J; SUJKOWSKI, Z; VANDERWOUDE, A

    1993-01-01

    A novel positron-electron pair spectroscopy instrument (PEPSI) was designed to measure transitions in the energy region 10-40 MeV. It consists of Nd2Fe14B permanent magnets forming a compact 4 pi magnetic filter consisting of 12 positron and 20 electron mini-orange-like spectrometers. The response f

  16. Handheld miniature ion trap mass spectrometers.

    Science.gov (United States)

    Ouyang, Zheng; Noll, Robert J; Cooks, R Graham

    2009-04-01

    For field applications, "miniature" and "rapid" have become almost synonymous, yet these small mass spectrometers are not useful if performance is too severely compromised. (To listen to a podcast about this feature, please go to the Analytical Chemistry website at pubs.acs.org/journal/ancham .).

  17. Triple-axis spectrometer DruechaL

    Energy Technology Data Exchange (ETDEWEB)

    Buehrer, W.; Keller, P. [Lab. for Neutron Scattering ETH Zurich, Zurich (Switzerland) and Paul Scherrer Institute, Villigen (Switzerland)

    1996-11-01

    DruechaL is a triple-axis spectrometer located at a cold guide. The characteristics of guide and instrument allow the use of a broad spectral range of neutrons. The resolution in momentum and energy transfer can be tuned to match the experimental requirements by using either collimators or focusing systems (monochromator, antitrumpet, analyser). (author) figs., tabs., refs.

  18. Neutron spectrometer for fast nuclear reactors

    CERN Document Server

    Osipenko, M; Ricco, G; Caiffi, B; Pompili, F; Pillon, M; Angelone, M; Verona-Rinati, G; Cardarelli, R; Mila, G; Argiro, S

    2015-01-01

    In this paper we describe the development and first tests of a neutron spectrometer designed for high flux environments, such as the ones found in fast nuclear reactors. The spectrometer is based on the conversion of neutrons impinging on $^6$Li into $\\alpha$ and $t$ whose total energy comprises the initial neutron energy and the reaction $Q$-value. The $^6$LiF layer is sandwiched between two CVD diamond detectors, which measure the two reaction products in coincidence. The spectrometer was calibrated at two neutron energies in well known thermal and 3 MeV neutron fluxes. The measured neutron detection efficiency varies from 4.2$\\times 10^{-4}$ to 3.5$\\times 10^{-8}$ for thermal and 3 MeV neutrons, respectively. These values are in agreement with Geant4 simulations and close to simple estimates based on the knowledge of the $^6$Li(n,$\\alpha$)$t$ cross section. The energy resolution of the spectrometer was found to be better than 100 keV when using 5 m cables between the detector and the preamplifiers.

  19. Resolution of a triple axis spectrometer

    DEFF Research Database (Denmark)

    Nielsen, Mourits; Bjerrum Møller, Hans

    1969-01-01

    A new method for obtaining the resolution function for a triple-axis neutron spectrometer is described, involving a combination of direct measurement and analytical calculation. All factors which contribute to the finite resolution of the instrument may be taken into account, and Gaussian...

  20. Study and Demarcating of Electron Magnetic Spectrometer

    Institute of Scientific and Technical Information of China (English)

    LIYe-jun; SHANYu-sheng; TAOYe-zheng; CHENGYou-jian; ZHANGHai-feng

    2003-01-01

    The principle of electron magnetic spectrometer is a moving charged particle circles a central point for the Lorenz force when it moves in a steady magnetic field, at the same time, we consider the influence of gravity excursion, magnetic grads excursion and curvature excursion. Having adopted yoke iron equalizing technology and had magnetic field and gravity field at the same line.