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Sample records for 14n nqr spectra

  1. 14 N NQR spectrum of sildenafil citrate

    NASA Astrophysics Data System (ADS)

    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. 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.

    PubMed

    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

  3. NQR investigation and characterization of cocrystals and crystal polymorphs

    NASA Astrophysics Data System (ADS)

    Seliger, Janez; Žagar, Veselko; Asaji, Tetsuo

    2013-05-01

    The application of 14N NQR to the study of cocrystals and crystal polymorphs is reviewed. In ferroelectric and antiferroelectric organic cocrystals 14N NQR is used to determine proton position in an N-H...O hydrogen bond and proton displacement below TC. In cocrystal isonicitinamide - oxalic acid (2:1) 14N NQR is used to distinguish between two polymorphs and to determine the type of the hydrogen bond (N-...H-O). The difference in the 14N 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 14N NQR spectrum of the cocrystal and the 14N 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.

  4. Detection of {sup 14}N and {sup 35}Cl in cocaine base and hydrochloride using NQR, NMR, and SQUID techniques

    SciTech Connect

    Yesinowski, J.P.; Buess, M.L.; Garroway, A.N.; Ziegeweid, M.; Pines, A. |

    1995-07-01

    Results from {sup 14}N pure NQR of cocaine in the free base form (cocaine base) yield a nuclear quadrupole coupling constant (NQCC) e{sup 2}Qq/h of 5.0229 ({+-}0.0001) MHz and an asymmetry parameter {eta} of 0.0395 ({+-}0.0001) at 295 K, with corresponding values of 5.0460 ({+-}0.0013) MHz and 0.0353 ({+-}0.0008) at 77 K. Both pure NQR (at 295-77 K) and a superconducting quantum interference device (SQUID) detector (at 4.2 K) were used to measure the very low (<1 MHz) {sup 14}N transition frequencies in cocaine hydrochloride; at 295 K the NQCC is 1.1780 ({+-}0.0014) MHz and the asymmetry parameter is 0.2632 ({+-}0.0034). Stepping the carrier frequency enables one to obtain a powder pattern without the severe intensity distortions that otherwise arise from finite pulse power. A powder pattern simulation using an NQCC value of 5.027 MHz and an asymmetry parameter {eta} of 0.2 agrees reasonably well with the experimental stepped-frequency spectrum. The use of pure NQR for providing nondestructive, quantitative, and highly specific detection of crystalline compounds is discussed, as are experimental strategies. 31 refs., 8 figs., 1 tab.

  5. 63Cu NQR spectra of dicoordinated Cu(I) cations with imidazole and pyrazole ligands

    NASA Astrophysics Data System (ADS)

    Khajenhouri, Fereidoun; Motallebi, Shahrock; Lucken, Edwin A. C.

    1995-02-01

    The 63Cu NQR spectra of five dicoordinated complex cations of Cu(I) with substituted imidazoles as ligands and six analogous complexes with substituted pyrazoles as ligands are reported. The structures of four of these complexes have been previously determined and the relationship of their 63Cu resonance frequency to the average CuN bond length is compared to that of the analogous lutidine or collidine complexes. It is concluded that there are probably significant differences between the electronic structures of the pyridine complexes and those of the pyrazole or imidazole series.

  6. Explosives detection by nuclear quadrupole resonance (NQR)

    NASA Astrophysics Data System (ADS)

    Garroway, Allen N.; Buess, Michael L.; Yesinowski, James P.; Miller, Joel B.; Krauss, Ronald A.

    1994-10-01

    Pure nuclear quadrupole resonance (NQR) of 14N nuclei is quite promising as a method for detecting explosives such as RDX and contraband narcotics such as cocaine and heroin in quantities of interest. Pure NQR is conducted without an external applied magnetic field, so potential concerns about damage to magnetically encoded data or exposure of personnel to large magnetic fields are not relevant. Because NQR frequencies of different compounds are quite distinct, we do not encounter false alarms from the NQR signals of other benign materials. We have constructed a laboratory prototype NQR explosives detector which interrogates a volume of 300 liters (10 ft3). This paper presents abbreviated results from a demonstration of the laboratory prototype NQR explosives detector conducted at the Federal Aviation Administration Technical Center in May 1994 on RDX-based explosives.

  7. An innovative method for the non-destructive identification of photodegradation products in solid state: 1H-14N NMR-NQR and DFT/QTAIM study of photodegradation of nifedipine (anti-hypertensive) to nitrosonifedipine (potential anti-oxidative).

    PubMed

    Latosińska, J N; Latosińska, M; Seliger, J; Zagar, V

    2012-08-30

    Stability of the antihypertensive drug nifedipine (NIF) has been studied experimentally in solid state by (1)H-(14)N NMR-NQR double resonance (NQDR) and theoretically by the Density Functional Theory (DFT). Photodegradation of NIF to its metabolite in vivo nitrosonifedipine, NO-NIF (antioxidative agent) upon long term daylight exposure was detected and the changes in the molecular structure of NIF were analysed. The photoconversion of NIF to NO-NIF in solid was found to be accompanied with the electron density redistribution at nitrogen sites (NH to N and NO(2) to NO) and proved to be successfully detected with identification of photoproducts by (1)H-(14)N NQDR and DFT methods. The increase in the e(2)qQ/h and η describing EFG tendency towards non-spherical symmetry was significantly greater upon the reduction of NO(2) site than upon hydrogen abstraction from NH site. The level of sensitivity of detection of the photodegradation product was about 1% of the original sample. The Quantum Theory of Atoms in Molecules (QTAIM) analysis has been found useful in predicting photoreactive sites in the molecules and finding the explanation of differences in reactivity between parent NIF and its photoproduct NO-NIF. Using NIF as a model, this study demonstrates the suitability of NQDR supported by DFT for non-destructive determination of the photodegradation products in solid state.

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

    PubMed

    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. PMID:25233110

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Measurement of the 14N nuclear quadrupole resonance frequencies by the solid effect

    NASA Astrophysics Data System (ADS)

    Seliger, J.; Žagar, V.

    2008-07-01

    1H- 14N nuclear quadrupole double resonance using magnetic field cycling between high and low magnetic field and solid effect in the low magnetic field is analyzed in details. The transition probabilities per unit time for the solid-effect transitions are calculated. The double resonance spectra are calculated in the limiting cases of fast and slow nitrogen spin-lattice relaxation. The double resonance spectra are measured in histamine and quinolinic acid. The experimental spectra are analyzed and the 14N NQR frequencies are determined.

  12. 14N Quadrupole Coupling in the Microwave Spectra of N-Vinylformamide

    NASA Astrophysics Data System (ADS)

    Kannengießer, Raphaela; Stahl, Wolfgang; Nguyen, Ha Vinh Lam; Bailey, William C.

    2016-06-01

    The microwave spectra of two conformers, trans and cis, of the title compound were recorded using two molecular beam Fourier transform microwave spectrometers operating in the frequency range 2 GHz to 40 GHz, and aimed at analysis of their 14N quadrupole hyperfine structures. Rotational constants, centrifugal distortion constants, and nuclear quadrupole coupling constants (NQCCs) χaa and χbb - χcc, were all determined with very high accuracy. Two fits including 176 and 117 hyperfine transitions were performed for the trans and cis conformers, respectively. Standard deviations of both fits are close to the measurement accuracy of 2 kHz. The NQCCs of the two conformers are almost exactly the same, and are compared with values found for other saturated and unsaturated formamides. Complementary quantum chemical calculations - MP2/6-311++G(d,p) rotational constants, MP2/cc-pVTZ centrifugal distortion constants, and B3PW91/6-311+G(d,p)//MP2/6-311++G(d,p) nuclear quadrupole coupling constants - give spectroscopic parameters in excellent agreement with the experimental parameters. B3PW91/6-311+G(d,p) calculated electric field gradients, in conjunction with eQ/h = 4.599(12) MHz/a.u., yields more reliable NQCCs for formamides possessing conjugated π-electron systems than does the B3PW91/6-311+G(df,pd) model recommended in Ref., whereas this latter performs better for aliphatic formamides. We conclude from this that f-polarization functions on heavy atoms hinder rather than help with modeling of conjugated π-electron systems. W. C. Bailey, Chem. Phys., 2000, 252, 57 W. C. Bailey, Calculation of Nuclear Quadrupole Coupling Constants in Gaseous State Molecules, http://nqcc.wcbailey.net/index.html.

  13. Fast and simple acquisition of solid-state 14N NMR spectra with signal enhancement via population transfer.

    PubMed

    O'Dell, Luke A; Schurko, Robert W

    2009-05-20

    A new approach for the acquisition of static, wideline (14)N NMR powder patterns is outlined. The method involves the use of frequency-swept pulses which serve two simultaneous functions: (1) broad-band excitation of magnetization and (2) signal enhancement via population transfer. The signal enhancement mechanism is described using numerical simulations and confirmed experimentally. This approach, which we call DEISM (Direct Enhancement of Integer Spin Magnetization), allows high-quality (14)N spectra to be acquired at intermediate field strengths in an uncomplicated way and in a fraction of the time required for previously reported methods.

  14. The Fundamental Quadrupole Band of (14)N2: Line Positions from High-Resolution Stratospheric Solar Absorption Spectra

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Zander, R.; Goldman, A.; Murcray, F. J.; Murcray, D. G.; Grunson, M. R.; Farmer, C. B.

    1991-01-01

    The purpose of this note is to report accurate measurements of the positions of O- and S-branch lines of the (1-0) vibration-rotation quadrupole band of molecular nitrogen ((14)N2) and improved Dunham coefficients derived from a simultaneous least-squares analysis of these measurements and selected infrared and far infrared data taken from the literature. The new measurements have been derived from stratospheric solar occultation spectra recorded with Fourier transform spectrometer (FTS) instruments operated at unapodized spectral resolutions of 0.002 and 0.01 /cm. The motivation for the present investigation is the need for improved N2 line parameters for use in IR atmospheric remote sensing investigations. The S branch of the N2 (1-0) quadrupole band is ideal for calibrating the line-of-sight airmasses of atmospheric spectra since the strongest lines are well placed in an atmospheric window, their absorption is relatively insensitive to temperature and is moderately strong (typical line center depths of 10 to 50% in high-resolution ground-based solar spectra and in lower stratospheric solar occultation spectra), and the volume mixing ratio of nitrogen is constant in the atmosphere and well known. However, a recent investigation has'shown the need to improve the accuracies of the N2 fine positions, intensities, air-broadened half-widths, and their temperature dependences to fully exploit this calibration capability (1). The present investigation addresses the problem of improving the accuracy of the N2 line positions.

  15. Frequency selective detection of nuclear quadrupole resonance (NQR) spin echoes

    NASA Astrophysics Data System (ADS)

    Somasundaram, Samuel D.; Jakobsson, Andreas; Smith, John A. S.; Althoefer, Kaspar A.

    2006-05-01

    Nuclear Quadrupole Resonance (NQR) is a radio frequency (RF) technique that can be used to detect the presence of quadrupolar nuclei, such as the 14N nucleus prevalent in many explosives and narcotics. The technique has been hampered by low signal-to-noise ratios and is further aggravated by the presence of RF interference (RFI). To ensure accurate detection, proposed detectors should exploit the rich form of the NQR signal. Furthermore, the detectors should also be robust to any remaining residual interference, left after suitable RFI mitigation has been employed. In this paper, we propose a new NQR data model, particularly for the realistic case where multiple pulse sequences are used to generate trains of spin echoes. Furthermore, we refine two recently proposed approximative maximum likelihood (AML) detectors, enabling the algorithm to optimally exploit the data model of the entire echo train and also incorporate knowledge of the temperature dependent spin-echo decay time. The AML-based detectors ensure accurate detection and robustness against residual RFI, even when the temperature of the sample is not precisely known, by exploiting the dependencies of the NQR resonant lines on temperature. Further robustness against residual interference is gained as the proposed detector is frequency selective; exploiting only those regions of the spectrum where the NQR signal is expected. Extensive numerical evaluations based on both simulated and measured NQR data indicate that the proposed Frequency selective Echo Train AML (FETAML) detector offers a significant improvement as compared to other existing detectors.

  16. Narcotics and explosives detection by 14N pure nuclear quadrupole resonance

    NASA Astrophysics Data System (ADS)

    Garroway, Allen N.; Buess, Michael L.; Yesinowski, James P.; Miller, Joel B.

    1994-03-01

    Pure nuclear quadrupole resonance (NQR) of 14N nuclei is quite promising as a method for detecting explosives such as RDX and contraband narcotics such as cocaine and heroin in quantities of interest. Pure NQR is conducted without an external applied magnetic field, so potential concerns about damage to magnetically encoded data or exposure of personnel to large magnetic fields are not relevant. Because NQR frequencies of different compounds are quite distinct, we do not encounter false alarms from the NQR signals of other benign materials. We have constructed a proof-of-concept NQR explosives detector which interrogates a volume of 300 liters (10 ft3). With minimal modification to the existing explosives detector, we can detect operationally relevant quantities of (free base) cocaine within the 300-liter inspection volume in 6 seconds. We are presently extending this approach to the detection of heroin base and also examining 14N and 35,37Cl pure NQR for detection of the hydrochloride forms of both materials. An adaptation of this NQR approach may be suitable for scanning personnel for externally carried contraband and explosives. We first outline the basics of the NQR approach, highlighting strengths and weaknesses, and then present representative results for RDX and cocaine detection. We also present a partial compendium of relevant NQR parameters measured for some materials of interest.

  17. Part I. Analyzing the distribution of gas law questions in chemistry textbooks. Part II. Chlorine-35 NQR spectra of group 1 and silver dichloromethanesulfonates

    NASA Astrophysics Data System (ADS)

    Gillette, Gabriel

    Part I. Two studies involving the gas law questions in eight high school and Advanced Placement/college chemistry textbooks were performed using loglinear analysis to look for associations among six variables. These variables included Bloom's Taxonomy (higher-order, lower-order), Book Type (high school, college), Question Format (multiple-choice, problem, short answer), Question Placement (in-chapter, end-of-chapter, test bank), Representation (macroscopic, microscopic, symbolic), and Arkansas Science Standard (conceptual, mathematical; gas laws, pressure conversion, stoichiometry). The first study, involving the conceptual gas law questions, found the Book Type and Question Placement variables had the biggest impact, each appearing in 5 of the 11 significant associations. The second study, involving the mathematical gas law questions, found the Question Placement had the biggest impact, appearing in 7 of the 11 significant associations, followed by Book Type and the Arkansas Science Standard variables, which appeared in 5 of the 11 significant associations. These studies showed that compared to the high school books, college books have fewer multiple-choice questions (compared to short-answer and problem questions), fewer in-chapter questions (compared to end-of-chapter and test bank questions), fewer questions in the chapters and more questions at the end of the chapters and fewer multiple-choice questions in and at the end of the books and more multiple-choice questions in the test banks. Part II. The dichloromethanesulfonate salts of several +1 charged cations, M+Cl2CHSO3 - (M = Li, Na, K, Rb Ag, Cs Tl) were synthesized and studied by 35Cl nuclear quadrupole resonance (NQR). Dichloromethanesulfonic acid was prepared by the methanolysis of dichloromethanesulfonyl chloride, which was neutralized with the metal carbonates to produce the corresponding metal dichloromethanesulfonate salts. This study completed the NQR investigation of the family of chloroacetates

  18. Artifact suppression in electron paramagnetic resonance imaging of 14N- and 15N-labeled nitroxyl radicals with asymmetric absorption spectra

    NASA Astrophysics Data System (ADS)

    Takahashi, Wataru; Miyake, Yusuke; Hirata, Hiroshi

    2014-10-01

    This article describes an improved method for suppressing image artifacts in the visualization of 14N- and 15N-labeled nitroxyl radicals in a single image scan using electron paramagnetic resonance (EPR). The purpose of this work was to solve the problem of asymmetric EPR absorption spectra in spectral processing. A hybrid function of Gaussian and Lorentzian lineshapes was used to perform spectral line-fitting to successfully separate the two kinds of nitroxyl radicals. This approach can process the asymmetric EPR absorption spectra of the nitroxyl radicals being measured, and can suppress image artifacts due to spectral asymmetry. With this improved visualization method and a 750-MHz continuous-wave EPR imager, a temporal change in the distributions of a two-phase paraffin oil and water/glycerin solution system was visualized using lipophilic and hydrophilic nitroxyl radicals, i.e., 2-(14-carboxytetradecyl)-2-ethyl-4,4-dimethyl-3-oxazolidinyloxy (16-DOXYL stearic acid) and 4-hydroxyl-2,2,6,6-tetramethylpiperidine-d17-1-15N-1-oxyl (TEMPOL-d17-15N). The results of the two-phase separation experiment verified that reasonable artifact suppression could be achieved by the present method that deals with asymmetric absorption spectra in the EPR imaging of 14N- and 15N-labeled nitroxyl radicals.

  19. NMR and NQR study of the thermodynamically stable quasicrystals

    SciTech Connect

    Shastri, A.

    1995-02-10

    {sup 27}Al and {sup 61,65}Cu 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, {sup 27}Al 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 {sup 63}Cu NMR with {sup 27}Al 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.

  20. An analytical method for estimating the {sup 14}N nuclear quadrupole resonance parameters of organic compounds with complex free induction decays for radiation effects studies

    SciTech Connect

    Iselin, L.H.

    1992-12-31

    The use of {sup 14}N nuclear quadrupole resonance (NQR) as a radiation dosimetry tool has only recently been explored. An analytical method for analyzing {sup 14}N NQR complex free induction decays is presented with the background necessary to conduct pulsed NQR experiments. The {sup 14}N NQR energy levels and possible transitions are derived in step-by-step detail. The components of a pulsed NQR spectrometer are discussed along with the experimental techniques for conducting radiation effects experiments using the spectrometer. Three data analysis techniques -- the power spectral density Fourier transform, state space singular value decomposition (HSVD), and nonlinear curve fitting (using the downhill simplex method of global optimization and the Levenberg-Marquart method) -- are explained. These three techniques are integrated into an analytical method which uses these numerical techniques in this order to determine the physical NQR parameters. Sample data sets of urea and guanidine sulfate data are used to demonstrate how these methods can be employed to analyze both simple and complex free induction decays. By determining baseline values for biologically significant organics, radiation effects on the NQR parameters can be studied to provide a link between current radiation dosimetry techniques and the biological effects of radiation.

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

    SciTech Connect

    Black, B.E. |

    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 {sup 11}B and {sup 27}Al NQR resonances. The scope of this study was increased to include {sup 23}Na, {sup 51}V, and {sup 55}Mn NQR transitions. Also, a technique was presented to observe {sup 14}N 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 {sup 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, 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.

  2. Ferroelastic phase transitions by 14N NMR spectra in [N(CH3)4]2CoCl4 and [N(CH3)4]2ZnCl4 single crystals

    NASA Astrophysics Data System (ADS)

    Lim, Ae Ran

    2016-09-01

    Changes in the structural geometry of [N(CH3)4]2BCl4 (B=Co and Zn) crystals near the phase transition temperatures were studied by analyzing the 14N nuclear magnetic resonance (NMR) spectra. Two physically inequivalent a-N(1)(CH3)4 and b-N(2)(CH3)4 groups were observed in these spectra. Abrupt changes in the resonance frequency and splitting of 14N NMR signals near the phase transition temperatures were attributed to structural phase transitions, and the primary mechanism of these phase transitions exhibited ferroelastic characteristics. In addition, ferroelasticity of [N(CH3)4]2BCl4 was identified at low temperatures using optical polarizing microscopy.

  3. The effects of methyl internal rotation and {sup 14}N quadrupole coupling in the microwave spectra of two conformers of N,N-diethylacetamide

    SciTech Connect

    Kannengießer, Raphaela; Klahm, Sebastian; Vinh Lam Nguyen, Ha Lüchow, Arne; Stahl, Wolfgang

    2014-11-28

    The gas phase structures and internal dynamics of N,N-diethylacetamide were determined with very high accuracy using a combination of molecular beam Fourier-transform microwave spectroscopy and quantum chemical calculations at high levels. Conformational studies yielded five stable conformers with C{sub 1} symmetry. The two most energetically favorable conformers, conformer I and II, could be found in the experimental spectrum. For both conformers, quadrupole hyperfine splittings of the {sup 14}N nucleus and torsional fine splittings due to the internal rotation of the acetyl methyl group occurred in the same order of magnitude and were fully assigned. The rotational constants, centrifugal distortion constants as well as the quadrupole coupling constants of the {sup 14}N nucleus were determined and fitted to experimental accuracy. The V{sub 3} potentials were found to be 517.04(13) cm{sup −1} and 619.48(91) cm{sup −1} for conformer I and II, respectively, and compared to the V{sub 3} potentials found in other acetamides. Highly accurate CCSD(T) and DMC calculations were carried out for calculating the barriers to internal rotation in comparison with the experimentally deduced V{sub 3} values.

  4. Electron density distribution in cladribine (2-chloro-2‧-deoxyadenosine) - A drug against leukemia and multiple sclerosis - Studied by multinuclear NQR spectroscopy and DFT calculations

    NASA Astrophysics Data System (ADS)

    Latosińska, J. N.; Latosińska, M.; Seliger, J.; Žagar, V.; Kazimierczuk, Z.

    2009-07-01

    2-Chloro-2'-deoxyadenosine (Cladribine) chemotherapeutic drug has been studied experimentally in solid state by 35Cl NQR and NMR-NQR double resonance and theoretically by the Density Functional Theory. Fifteen resonance frequencies on 14N have been detected and assigned to particular nitrogen sites in the 2-CdA molecule. The effects of tautomerism, regioisomerism, conformations and molecular aggregations, related to intermolecular hydrogen bond formation, on the NQR parameters have been analysed within the DFT and AIM ( Atoms in Molecules) formalism. The properties of the whole molecule, the so-called global reactivity descriptors, have been calculated for a comparison of both syn and anti conformations of 2-CdA molecule to check the effect of crystal packing on molecular conformation.

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

    SciTech Connect

    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}-C

  6. NQR detection of explosive simulants using RF atomic magnetometers

    NASA Astrophysics Data System (ADS)

    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.

  7. 14N Quadrupole Resonance in the presence of a weak static magnetic field. Direct determination of the electric field gradient tensor

    NASA Astrophysics Data System (ADS)

    Aissani, Sarra; Guendouz, Laouès; Canet, Daniel

    2014-02-01

    The electric field gradient tensor (considered here at the level of a nitrogen nucleus) can be described by two parameters: the largest element in the (x, y, z) principal axis system, denoted by Vzz, and the asymmetry parameter η=(Vyy-Vxx)/Vzz. The frequencies of the three nitrogen-14 NQR transitions depend on both parameters and two of them are, a priori, necessary for their determination. We demonstrate that, if a weak static magnetic field is applied during a NQR experiment, both parameters can be obtained from a single transition thus alleviating the difficulties for finding out 14N Quadrupole Resonance lines.

  8. Mutual effect of ligands in nitrido and nitroso complexes of osmium and ruthenium from NQR data

    SciTech Connect

    Kravchenko. E.A.; Burtsev, M.Yu.; Sinitsyn, M.N.; Svetlov, A.A.; Kokunov, Ya.V.; Buslaev, A.

    1987-11-01

    The purpose of this investigation was to study by NQR the spectral results of the mutual ligand effect in complex compounds having various types of short bonds. The authors obtained the /sup 35/Cl, /sup 81/Br, and /sup 127/I NQR spectra of a large number of halogen complexes of osmium and ruthenium having short Os=N and M in equilibrium NO bonds of the following types: R(OsNHal/sub 4/) (R = (Ph/sub 4/P)/sup +/, (Bu/sub 4/N)/sup +/; Hal = Cl/sup -/, Br/sup -/, I/sup -/), K/sub 2/(OsNCl/sub 5/), Rb/sub 2/(OsNBr/sub 5/), (NH/sub 4/)/sub 2/(OsNBr/sub 5/), K(OsNHal/sub 4/L) (Hal = Cl/sup -/, Br/sup -/; L = H/sub 2/O, CH/sub 3/CN), K/sub 2/(MNOHal/sub 5/) (M = Os, Ru; Hal = Cl/sup -/, Br/sup -/, I/sup -/). The experimental NQR values measured are connected by the Townes and Dailey theory with the chemical bond characteristics i, sigma, ..pi.., the degree of the ionic, the sigma-covalent, and the ..pi..-covalent natures respectively ( i + sigma + ..pi.. = 1).

  9. Crystallization and preliminary analysis of the NqrA and NqrC subunits of the Na+-translocating NADH:ubiquinone oxidoreductase from Vibrio cholerae

    PubMed Central

    Vohl, Georg; Nedielkov, Ruslan; Claussen, Björn; Casutt, Marco S.; Vorburger, Thomas; Diederichs, Kay; Möller, Heiko M.; Steuber, Julia; Fritz, Günter

    2014-01-01

    The Na+-translocating NADH:ubiquinone oxidoreductase (Na+-NQR) from Vibrio cholerae is a membrane protein complex consisting of six different subunits NqrA–NqrF. The major domains of the NqrA and NqrC subunits were heterologously expressed in Escherichia coli and crystallized. The structure of NqrA1–377 was solved in space groups C2221 and P21 by SAD phasing and molecular replacement at 1.9 and 2.1 Å resolution, respectively. NqrC devoid of the transmembrane helix was co-expressed with ApbE to insert the flavin mononucleotide group covalently attached to Thr225. The structure was determined by molecular replacement using apo-NqrC of Parabacteroides distasonis as search model at 1.8 Å resolution. PMID:25005105

  10. Crystallization and preliminary analysis of the NqrA and NqrC subunits of the Na+-translocating NADH:ubiquinone oxidoreductase from Vibrio cholerae.

    PubMed

    Vohl, Georg; Nedielkov, Ruslan; Claussen, Björn; Casutt, Marco S; Vorburger, Thomas; Diederichs, Kay; Möller, Heiko M; Steuber, Julia; Fritz, Günter

    2014-07-01

    The Na+-translocating NADH:ubiquinone oxidoreductase (Na+-NQR) from Vibrio cholerae is a membrane protein complex consisting of six different subunits NqrA-NqrF. The major domains of the NqrA and NqrC subunits were heterologously expressed in Escherichia coli and crystallized. The structure of NqrA1-377 was solved in space groups C222₁ and P2₁ by SAD phasing and molecular replacement at 1.9 and 2.1 Å resolution, respectively. NqrC devoid of the transmembrane helix was co-expressed with ApbE to insert the flavin mononucleotide group covalently attached to Thr225. The structure was determined by molecular replacement using apo-NqrC of Parabacteroides distasonis as search model at 1.8 Å resolution.

  11. NQR Characteristics of an RDX Plastic Explosives Simulant.

    PubMed

    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. PMID:23204647

  12. WURST-QCPMG sequence and "spin-lock" in 14N nuclear quadrupole resonance

    NASA Astrophysics Data System (ADS)

    Gregorovič, Alan; Apih, Tomaž

    2013-08-01

    14N nuclear quadrupole resonance (NQR) is a promising method for the analysis of pharmaceuticals or for the detection of nitrogen based illicit compounds, but so far, the technique is still not widely used, mostly due to the very low sensitivity. This problem is already acute in the preliminary NQR stage, when a compound is being examined for the first time and the NQR frequencies are being searched for, by scanning a wide frequency range step-by-step. In the present work, we experimentally show how to increase the efficiency of this initial stage by using a combination of a wideband excitation achieved with frequency swept pulses (WURST) and a "spin-lock" state obtained with a quadrupolar-CPMG (QCPMG) sequence. In the first part we show that WURST pulses provide a much larger excitation bandwidth compared to common rectangular pulses. This increased bandwidth allows to increase the frequency step and reduces the total number of steps in a scanning stage. In the second part we show that the "spin-lock" decay time T2eff obtained with the WURST-QCPMG combination is practically identical with the T2eff obtained with the most common "spin-lock" sequence, the SLSE, despite a very different nature and length of excitation pulses. This allows for a substantial S/N increase through echo averaging in every individual step and really allows to exploit all the advantages of the wider excitation in the NQR frequency scanning stage. Our experimental results were obtained on a sample of trinitrotoluene, but identical behavior is expected for all compounds where a "spin-lock" state can be created.

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

    PubMed

    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.

  14. Signal processing for NQR discrimination of buried land mines

    NASA Astrophysics Data System (ADS)

    Tantum, Stacy L.; Collins, Leslie M.; Carin, Lawrence; Gorodnitsky, Irina; Hibbs, Andrew D.; Walsh, David O.; Barrall, Geoffrey A.; Gregory, David M.; Matthews, Robert; Vierkotter, Stephie A.

    1999-08-01

    Nuclear quadrupole resonance (NQR) is a technique that discriminates mines from clutter by exploiting unique properties of explosives, rather than the attributes of the mine that exist in many forms of anthropic clutter. After exciting the explosive with a properly designed electromagnetic-induction (EMI) system, one attempts to sense late-time spin echoes, which are characterized by radiation at particular frequencies. It is this narrow-band radiation that indicates the presence of explosives, since this effect is not seen in most clutter, both natural and anthropic. However, this problem is complicated by several issues. First, the late-time radiation if often very weak, particularly for TNT, and therefore the signal-to-noise ratio must be high for extracting the NQR response. Further, the frequency at which the explosive radiates is often a strong function of the background environment, and therefore in practice the NQR radiation frequency is not known a priori. Finally, at the frequencies of interest, there is a significant amount of background radiation, which induces radio frequency interference (RFI). In this paper we discuss several signal processing tools we have developed to enhance the utility of NQR explosives detection. In particular, with regard to the RFI, we exposure least-mean-squares algorithms which have proven well suited to extracting background interference. Algorithm performance is assessed through consideration of actual measured data. With regard to the detection of the NQR electromagnetic echo, we consider a Bayesian discrimination algorithm. The performance of the Bayesian algorithm is presented, again using measured NQR data.

  15. NqrM (DUF539) Protein Is Required for Maturation of Bacterial Na+-Translocating NADH:Quinone Oxidoreductase

    PubMed Central

    Kostyrko, Vitaly A.; Bertsova, Yulia V.; Serebryakova, Marina V.; Baykov, Alexander A.

    2015-01-01

    ABSTRACT Na+-translocating NADH:quinone oxidoreductase (Na+-NQR) catalyzes electron transfer from NADH to ubiquinone in the bacterial respiratory chain, coupled with Na+ translocation across the membrane. Na+-NQR maturation involves covalent attachment of flavin mononucleotide (FMN) residues, catalyzed by flavin transferase encoded by the nqr-associated apbE gene. Analysis of complete bacterial genomes has revealed another putative gene (duf539, here renamed nqrM) that usually follows the apbE gene and is present only in Na+-NQR-containing bacteria. Expression of the Vibrio harveyi nqr operon alone or with the associated apbE gene in Escherichia coli, which lacks its own Na+-NQR, resulted in an enzyme incapable of Na+-dependent NADH or reduced nicotinamide hypoxanthine dinucleotide (dNADH) oxidation. However, fully functional Na+-NQR was restored when these genes were coexpressed with the V. harveyi nqrM gene. Furthermore, nqrM lesions in Klebsiella pneumoniae and V. harveyi prevented production of functional Na+-NQR, which could be recovered by an nqrM-containing plasmid. The Na+-NQR complex isolated from the nqrM-deficient strain of V. harveyi lacks several subunits, indicating that nqrM is necessary for Na+-NQR assembly. The protein product of the nqrM gene, NqrM, contains a single putative transmembrane α-helix and four conserved Cys residues. Mutating one of these residues (Cys33 in V. harveyi NqrM) to Ser completely prevented Na+-NQR maturation, whereas mutating any other Cys residue only decreased the yield of the mature protein. These findings identify NqrM as the second specific maturation factor of Na+-NQR in proteobacteria, which is presumably involved in the delivery of Fe to form the (Cys)4[Fe] center between subunits NqrD and NqrE. IMPORTANCE Na+-translocating NADH:quinone oxidoreductase complex (Na+-NQR) is a unique primary Na+ pump believed to enhance the vitality of many bacteria, including important pathogens such as Vibrio cholerae, Vibrio

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

    PubMed

    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.

  17. A theoretical study of 17O, 14N and 2H nuclear quadrupole coupling tensors in the real crystalline structure of acetaminophen

    NASA Astrophysics Data System (ADS)

    Behzadi, Hadi; Esrafili, Mehdi D.; Hadipour, Nasser L.

    2007-03-01

    A systematic computational investigation was carried out to characterize the 17O, 14N and 2H electric field gradient, EFG, tensors in the acetaminophen real crystalline structure. To include the hydrogen bonding effects in the calculations, the most probable interacting molecules with the target molecule in the crystalline phase were considered through the various molecular clusters. The calculations were performed with the B3LYP method and 6-311++G ∗∗ and 6-311+G ∗ standard basis sets using the Gaussian 98 suite of programs. Calculated EFG tensors were used to evaluate the 17O, 14N, and 2H nuclear quadrupole resonance, NQR, parameters in acetaminophen crystalline structure, which are in good agreement with the available experimental data. The difference between the calculated NQR parameters of the monomer and molecular clusters shows how much hydrogen bonding interactions affect the EFG tensors of each nucleus. These results indicate that both O-H⋯O and N-H⋯O hydrogen bonding have major influence on the NQR parameters. Moreover, the quantum chemical calculation indicated that the intermolecular hydrogen bonding interactions play an essential role in determining the relative orientation of quadrupole coupling principal components in the molecular frame axes.

  18. NMR and NQR study of Si-doped (6,0) zigzag single-walled aluminum nitride nanotube as n or P-semiconductors.

    PubMed

    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.

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

    PubMed

    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 57MHz with a center frequency of 97.5MHz with a return loss of ⩽-15dB. 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 100μs. Experiments with a test sample of ZnBr2 proved the feasibility of the method.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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 57MHz with a center frequency of 97.5MHz with a return loss of ⩽-15dB. 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 100μs. Experiments with a test sample of ZnBr2 proved the feasibility of the method. PMID:27591955

  2. Enhancing nuclear quadrupole resonance (NQR) signature detection leveraging interference suppression algorithms

    NASA Astrophysics Data System (ADS)

    DeBardelaben, James A.; Miller, Jeremy K.; Myrick, Wilbur L.; Miller, Joel B.; Gilbreath, G. Charmaine; Bajramaj, Blerta

    2012-06-01

    Nuclear quadrupole resonance (NQR) is a radio frequency (RF) magnetic spectroscopic technique that has been shown to detect and identify a wide range of explosive materials containing quadrupolar nuclei. The NQR response signal provides a unique signature of the material of interest. The signal is, however, very weak and can be masked by non-stationary RF interference (RFI) and thermal noise, limiting detection distance. In this paper, we investigate the bounds on the NQR detection range for ammonium nitrate. We leverage a low-cost RFI data acquisition system composed of inexpensive B-field sensing and commercial-off-the-shelf (COTS) software-defined radios (SDR). Using collected data as RFI reference signals, we apply adaptive filtering algorithms to mitigate RFI and enable NQR detection techniques to approach theoretical range bounds in tactical environments.

  3. Asymmetry parameter studies for systems containing the 35Cl nucleus from Zeeman NQR data

    NASA Astrophysics Data System (ADS)

    Raman, K. V.

    1995-02-01

    A review of Zeeman nuclear quadrupole resonance (NQR) work on systems containing the 35Cl nucleus is presented. In the case of the 35cl nucleus with spin I = {3}/{2}, owing to the existence of ± m degeneracy in the absence of a magnetic field (Kramer's degeneracy), there exists only one pure NQR frequency which is related to the two electric field gradient (EFG) parameters, η and e2qQ, by the formula, v = ( {e 2qQ }/{2h})(1 + ( {η 2}/{3})) {1}/{2}. Hence it is necessary to study the Zeeman effect to obtain both these parameters. Zeeman NQR studies have been carried out by many workers using single crystals and powder specimens, and these are discussed here. The computer simulation method for powder η values is also presented in this paper. The numerical computation program for an IBM 370-158 computer used to simulate the powder Zeeman spectrum is also discussed briefly. The paper also presents two-dimensional Zeeman NQR and Zeeman perturbed spin-echo envelope modulation (ZSEEM) studies on 35Cl systems. Very recently, two-dimensional NQR experiments based on the principle of nutation spectroscopy have been carried out with zero applied magnetic field on {3}/{2} spin nuclei. This method is also discussed in this review. The relationship between the asymmetry parameter (η) and bond properties is also discussed.

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

    PubMed

    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.

  5. Temperature and baric dependence of nuclear quadruple resonance spectra in indium and gallium monoselenides

    NASA Astrophysics Data System (ADS)

    Khandozhko, Victor; Raranskii, Nikolai; Balazjuk, Vitaly; Samila, Andriy; Kovalyuk, Zahar

    2013-12-01

    Pulsed radiospectroscopy method has been used to study nuclear quadruple resonance (NQR) spectra of 69Ga and 115In isotopes in the layered semiconductors GaSe and InSe. It has been found that in GaSe and InSe there is a considerable temperature dependence of NQR frequency which in the temperature range of 250 to 390 K is practically linear with conversion slope 1.54 kHz/degree for 69Ga and 2.35 kHz/degree for 115In. In the same crystals the effect of uniaxial pressure on NQR spectra applied along the optical axis с up to the values of 500 kg/сm2 has been studied. A strong attenuation of NQR spectra intensity with increase in pressure on layered crystal package has been established. The unvaried multiplicity of resonance spectra indicates the absence of structural transformations in these layered crystals over the investigated range of temperatures and pressures.

  6. 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*

    PubMed Central

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

    2014-01-01

    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. PMID:25006248

  7. LINE LISTS FOR THE A {sup 2}Π-X {sup 2}Σ{sup +} (RED) AND B {sup 2}Σ{sup +}-X {sup 2}Σ{sup +} (VIOLET) SYSTEMS OF CN, {sup 13}C{sup 14}N, AND {sup 12}C{sup 15}N, AND APPLICATION TO ASTRONOMICAL SPECTRA

    SciTech Connect

    Sneden, Christopher; Lucatello, Sara; Ram, Ram S.; Brooke, James S. A.; Bernath, Peter E-mail: sara.lucatello@oapd.inaf.it E-mail: jsabrooke@gmail.com

    2014-10-01

    New red and violet system line lists for the CN isotopologues {sup 13}C{sup 14}N and {sup 12}C{sup 15}N have been generated. These new transition data are combined with those previously derived for {sup 12}C{sup 14}N, and applied to the determination of CNO abundances in the solar photosphere and in four red giant stars: Arcturus, the bright, very low-metallicity star HD 122563, and the carbon-enhanced metal-poor stars HD 196944 and HD 201626. When both red and violet system lines are detectable in a star, their derived N abundances are in good agreement. The mean N abundances determined in this work are also generally in accord with published values.

  8. Suppression of electron correlations in the collapsed tetragonal phase of CaFe2As2 under ambient pressure demonstrated by As75 NMR/NQR measurements

    NASA Astrophysics Data System (ADS)

    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.

  9. Natural abundance 14N and 15N solid-state NMR of pharmaceuticals and their polymorphs

    DOE PAGES

    Veinberg, Stanislav L.; Johnston, Karen E.; Jaroszewicz, Michael J.; Kispal, Brianna M.; Mireault, Christopher R.; Kobayashi, Takeshi; Pruski, Marek; Schurko, Robert W.

    2016-06-08

    14N ultra-wideline (UW), 1H{15N} indirectly-detected HETCOR (idHETCOR) and 15N dynamic nuclear polarization (DNP) solid-state NMR (SSNMR) experiments, in combination with plane-wave density functional theory (DFT) calculations of 14N EFG tensors, were utilized to characterize a series of nitrogen-containing active pharmaceutical ingredients (APIs), including HCl salts of scopolamine, alprenolol, isoprenaline, acebutolol, dibucaine, nicardipine, and ranitidine. Here, a case study applying these methods for the differentiation of polymorphs of bupivacaine HCl is also presented. All experiments were conducted upon samples with naturally-abundant nitrogen isotopes. For most of the APIs, it was possible to acquire frequency-stepped UW 14N SSNMR spectra of stationarymore » samples, which display powder patterns corresponding to pseudo-tetrahedral (i.e., RR'R"NH+ and RR'NH2+) or other (i.e., RNH2 and RNO2) nitrogen environments.« less

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

    NASA Astrophysics Data System (ADS)

    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.

  11. 75As-NQR study of the hybridization gap semiconductor CeOs4As12

    NASA Astrophysics Data System (ADS)

    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.

  12. NQR Line Broadening Due to Crystal Lattice Imperfections and Its Relationship to Shock Sensitivity

    NASA Astrophysics Data System (ADS)

    Caulder, S. M.; Buess, M. L.; Garroway, A. N.; Miller, P. J.

    2004-07-01

    The hydrodynamic hot spot model is used to explain the difference between shock sensitive and shock insensitive explosives. Among the major factors that influence the shock sensitivity of energetic compounds are the quality and particle size of the energetic crystals used to formulate the cast plastic bonded explosive. As do all energetic compounds, RDX and HMX exhibit internal crystal defects the magnitude and type of which depend on the manufacturing process used to synthesize and re-crystallize the energetic compound. Nuclear Quadrupole Resonance (NQR) spectroscopy was used to determine the crystal quality of RDX, HMX and CL-20 obtained from various manufacturers. The NQR experimental results are discussed. Cast plastic bonded explosives were made using the RDX and HMX obtained from the various manufacturers and subsequently subjected to the NOL large-scale gap test (LSGT). The results of the LSGT are discussed and correlated with the NQR results. A relationship between the crystal defect density and shock initiation pressure of the plastic bonded explosive is developed and discussed.

  13. Natural abundance (14)N and (15)N solid-state NMR of pharmaceuticals and their polymorphs.

    PubMed

    Veinberg, Stanislav L; Johnston, Karen E; Jaroszewicz, Michael J; Kispal, Brianna M; Mireault, Christopher R; Kobayashi, Takeshi; Pruski, Marek; Schurko, Robert W

    2016-06-29

    (14)N ultra-wideline (UW), (1)H{(15)N} indirectly-detected HETCOR (idHETCOR) and (15)N dynamic nuclear polarization (DNP) solid-state NMR (SSNMR) experiments, in combination with plane-wave density functional theory (DFT) calculations of (14)N EFG tensors, were utilized to characterize a series of nitrogen-containing active pharmaceutical ingredients (APIs), including HCl salts of scopolamine, alprenolol, isoprenaline, acebutolol, dibucaine, nicardipine, and ranitidine. A case study applying these methods for the differentiation of polymorphs of bupivacaine HCl is also presented. All experiments were conducted upon samples with naturally-abundant nitrogen isotopes. For most of the APIs, it was possible to acquire frequency-stepped UW (14)N SSNMR spectra of stationary samples, which display powder patterns corresponding to pseudo-tetrahedral (i.e., RR'R''NH(+) and RR'NH2(+)) or other (i.e., RNH2 and RNO2) nitrogen environments. Directly-excited (14)N NMR spectra were acquired using the WURST-CPMG pulse sequence, which incorporates WURST (wideband, uniform rate, and smooth truncation) pulses and a CPMG (Carr-Purcell Meiboom-Gill) refocusing protocol. In certain cases, spectra were acquired using (1)H → (14)N broadband cross-polarization, via the BRAIN-CP (broadband adiabatic inversion - cross polarization) pulse sequence. These spectra provide (14)N electric field gradient (EFG) tensor parameters and orientations that are particularly sensitive to variations in local structure and intermolecular hydrogen-bonding interactions. The (1)H{(15)N} idHETCOR spectra, acquired under conditions of fast magic-angle spinning (MAS), used CP transfers to provide (1)H-(15)N chemical shift correlations for all nitrogen environments, except for two sites in acebutolol and nicardipine. One of these two sites (RR'NH2(+) in acebutolol) was successfully detected using the DNP-enhanced (15)N{(1)H} CP/MAS measurement, and one (RNO2 in nicardipine) remained elusive due to the absence of

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

    PubMed

    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.

  15. Low energy scattering cross section ratios of 14N(p ,p ) 14N

    NASA Astrophysics Data System (ADS)

    deBoer, R. J.; Bardayan, D. W.; Görres, J.; LeBlanc, P. J.; Manukyan, K. V.; Moran, M. T.; Smith, K.; Tan, W.; Uberseder, E.; Wiescher, M.; Bertone, P. F.; Champagne, A. E.; Islam, M. S.

    2015-04-01

    Background: The slowest reaction in the first CNO cycle is 14N(p ,γ ) 15O , therefore its rate determines the overall energy production efficiency of the entire cycle. The cross section presents several strong resonance contributions, especially for the ground-state transition. Some of the properties of the corresponding levels in the 15O compound nucleus remain uncertain, which affects the uncertainty in extrapolating the capture cross section to the low energy range of astrophysical interest. Purpose: The 14N(p ,γ ) 15O cross section can be described by using the phenomenological R matrix. Over the energy range of interest, only the proton and γ -ray channels are open. Since resonance capture makes significant contributions to the 14N(p ,γ ) 15O cross section, resonant proton scattering data can be used to provide additional constraints on the R -matrix fit of the capture data. Methods: A 4 MV KN Van de Graaff accelerator was used to bombard protons onto a windowless gas target containing enriched 14N gas over the proton energy range from Ep=1.0 to 3.0 MeV. Scattered protons were detected at θlab=90 , 120∘, 135∘, 150∘, and 160∘ using ruggedized silicon detectors. In addition, a 10 MV FN Tandem Van de Graaff accelerator was used to accelerate protons onto a solid Adenine (C5H5N5 ) target, of natural isotopic abundance, evaporated onto a thin self-supporting carbon backing, over the energy range from Ep=1.8 to 4.0 MeV. Scattered protons were detected at 28 angles between θlab=30 .4∘ and 167 .7∘ by using silicon photodiode detectors. Results: Relative cross sections were extracted from both measurements. While the relative cross sections do not provide as much constraint as absolute measurements, they greatly reduce the dependence of the data on otherwise significant systematic uncertainties, which are more difficult to quantify. The data are fit simultaneously using an R -matrix analysis and level energies and proton widths are extracted. Even

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

    PubMed

    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

    PubMed Central

    Minato, Yusuke; 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. PMID:24811312

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

    SciTech Connect

    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.

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

    PubMed

    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%.

  20. Sensitivity enhanced (14)N/(14)N correlations to probe inter-beta-sheet interactions using fast magic angle spinning solid-state NMR in biological solids.

    PubMed

    Pandey, Manoj Kumar; Amoureux, Jean-Paul; Asakura, Tetsuo; Nishiyama, Yusuke

    2016-08-10

    (14)N/(14)N correlations are vital for structural studies of solid samples, especially those in which (15)N isotopic enrichment is challenging, time-consuming and expensive. Although (14)N nuclei have high isotopic abundance (99.6%), there are inherent difficulties in observing (14)N/(14)N correlations due to limited resolution and sensitivity related to: (i) low (14)N gyromagnetic ratio (γ), (ii) large (14)N quadrupolar couplings, (iii) integer (14)N spin quantum number (I = 1), and (iv) very weak (14)N-(14)N dipolar couplings. Previously, we demonstrated a proton-detected 3D (14)N/(14)N/(1)H correlation experiment at fast magic angle spinning (MAS) on l-histidine·HCl·H2O utilizing a through-bond (J) and residual dipolar-splitting (RDS) based heteronuclear multiple quantum correlation (J-HMQC) sequence mediated through (1)H/(1)H radio-frequency driven recoupling (RFDR). As an extension of our previous work, in this study we show the utility of dipolar-based HMQC (D-HMQC) in combination with (1)H/(1)H RFDR mixing to obtain sensitivity enhanced (14)N/(14)N correlations in more complex biological solids such as a glycyl-l-alanine (Gly-l-Ala) dipeptide, and parallel (P) and antiparallel (AP) β-strand alanine tripeptides (P-(Ala)3 and AP-(Ala)3, respectively). These systems highlight the mandatory necessity of 3D (14)N/(14)N/(1)H measurements to get (14)N/(14)N correlations when the amide proton resonances are overlapped. Moreover, the application of long selective (14)N pulses, instead of short hard ones, is shown to improve the sensitivity. Globally, we demonstrate that replacing J-scalar with dipolar interaction and hard- with selective-(14)N pulses allows gaining a factor of ca. 360 in experimental time. On the basis of intermolecular NH/NH distances and (14)N quadrupolar tensor orientations, (14)N/(14)N correlations are effectively utilized to make a clear distinction between the parallel and antiparallel arrangements of the β-strands in (Ala)3 through the

  1. Sensitivity enhanced (14)N/(14)N correlations to probe inter-beta-sheet interactions using fast magic angle spinning solid-state NMR in biological solids.

    PubMed

    Pandey, Manoj Kumar; Amoureux, Jean-Paul; Asakura, Tetsuo; Nishiyama, Yusuke

    2016-08-10

    (14)N/(14)N correlations are vital for structural studies of solid samples, especially those in which (15)N isotopic enrichment is challenging, time-consuming and expensive. Although (14)N nuclei have high isotopic abundance (99.6%), there are inherent difficulties in observing (14)N/(14)N correlations due to limited resolution and sensitivity related to: (i) low (14)N gyromagnetic ratio (γ), (ii) large (14)N quadrupolar couplings, (iii) integer (14)N spin quantum number (I = 1), and (iv) very weak (14)N-(14)N dipolar couplings. Previously, we demonstrated a proton-detected 3D (14)N/(14)N/(1)H correlation experiment at fast magic angle spinning (MAS) on l-histidine·HCl·H2O utilizing a through-bond (J) and residual dipolar-splitting (RDS) based heteronuclear multiple quantum correlation (J-HMQC) sequence mediated through (1)H/(1)H radio-frequency driven recoupling (RFDR). As an extension of our previous work, in this study we show the utility of dipolar-based HMQC (D-HMQC) in combination with (1)H/(1)H RFDR mixing to obtain sensitivity enhanced (14)N/(14)N correlations in more complex biological solids such as a glycyl-l-alanine (Gly-l-Ala) dipeptide, and parallel (P) and antiparallel (AP) β-strand alanine tripeptides (P-(Ala)3 and AP-(Ala)3, respectively). These systems highlight the mandatory necessity of 3D (14)N/(14)N/(1)H measurements to get (14)N/(14)N correlations when the amide proton resonances are overlapped. Moreover, the application of long selective (14)N pulses, instead of short hard ones, is shown to improve the sensitivity. Globally, we demonstrate that replacing J-scalar with dipolar interaction and hard- with selective-(14)N pulses allows gaining a factor of ca. 360 in experimental time. On the basis of intermolecular NH/NH distances and (14)N quadrupolar tensor orientations, (14)N/(14)N correlations are effectively utilized to make a clear distinction between the parallel and antiparallel arrangements of the β-strands in (Ala)3 through the

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

    PubMed

    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.

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

    PubMed

    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.

  4. Structural and Functional Investigation of Flavin Binding Center of the NqrC Subunit of Sodium-Translocating NADH:Quinone Oxidoreductase from Vibrio harveyi

    PubMed Central

    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. PMID:25734798

  5. Radiative n 14N capture at astrophysical energies

    NASA Astrophysics Data System (ADS)

    Dubovichenko, S. B.

    2013-06-01

    In the potential cluster model with forbidden states and classification of orbital cluster states according to Young's schemes, the possibility is considered of describing the experimental data for the total cross sections of radiative n 14N capture at energies from 25.0 meV (25•10-3 eV) to 1.0 MeV. It is shown that on the whole it is possible to successfully explain the behavior of these cross sections outside the resonant energy region on the basis of the E1 transition from the 2S1/2 scattering wave with zero phase to the bound 2Р1/2 state of the 15N nucleus in the n14N channel.

  6. A Cu NQR study in a d-electron heavy-fermion system, CaCu3Ru4O12

    NASA Astrophysics Data System (ADS)

    Kato, Harukazu; Tsuruta, Takuya; Nishioka, Takashi; Matsumura, Masahiro; Sakai, Hironori; Kambe, Shinsaku

    2007-11-01

    Cu nuclear quadrupole resonance (NQR) studies have been carried out for CaCu3Ru4O12, which has been suggested to show a heavy-fermion-like behavior although it possess no f electron. A Lorentzian shape of the Cu NQR line with a narrow width implies that no magnetic ordering appears, at least, down to 5 K. The spin lattice relaxation rate of the Cu nuclei probes a change of the Cu 3d electron nature, resulting in the Fermi liquid state at a low temperature. These facts strongly support that the heavy fermion picture is available in the concerned compound.

  7. Proton zero-quantum 2D NMR of 2-propenenitrile aligned by an electric field. Determination of the 2H and 14N quadrupole coupling constants

    NASA Astrophysics Data System (ADS)

    Ruessink, B. H.; De Kanter, F. J. J.; MaClean, C.

    Zero-quantum NMR, selectively detected by 2D NMR, is applied to observe small 1H- 1H dipolar couplings in a polar liquid partially oriented by a strong electric field. The normal (single-quantum) 1H spectrum is severely broadened, which prevents the observation of small couplings. The results from the zero-quantum proton spectrum are used to calculate the 2H and 14N quadrupole coupling constants of 2-deutero-2-propenenitrile from the 2H and 14N NMR spectra.

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

    NASA Astrophysics Data System (ADS)

    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.

  9. N.Q.R measurements of low energy Chiral structures in powdered glassy As2Se3

    NASA Astrophysics Data System (ADS)

    Nelson, Chris

    2012-02-01

    Experimental and theoretical work on the As-chalcogen glasses have shown that in the glassy state the local cylindrical symmetry associated with the elemental pyramidal unit is preserved. Here we introduce a local paracrystalline model of glassy As2Se3. This model is based on a tight binding calculation of the electric field gradient (EFG) at the core of an As atom located at the apex of the pyramidal structure. This EFG is shown to be hyper sensitive to the bond angles and bond lengths the As atom forms with the chalcogen nearest neighbors, as well as the hybrid angle formed with second neighbor As atoms. A continuous variation of the bonding parameters produces a unique set of these pyramidal units which are shown to fit the NQR data for powdered glassy samples. The best fit to the NQR data indicates that the pyramidal units organize themselves into Chiral structures in the glass. A plot of the electronic energy per molecular site shows that the chiral structures have on average a lower electronic energy than a random configuration.

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

    PubMed

    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.

  11. The Titan 14N/ 15N and 12C/ 13C isotopic ratios in HCN from Cassini/CIRS

    NASA Astrophysics Data System (ADS)

    Vinatier, Sandrine; Bézard, Bruno; Nixon, Conor A.

    2007-11-01

    We report the detection of H 13CN and HC 15N in mid-infrared spectra recorded by the Composite Infrared Spectrometer (CIRS) aboard Cassini, along with the determination of the 12C/ 13C and 14N/ 15N isotopic ratios. We analyzed two sets of limb spectra recorded near 13-15° S (Tb flyby) and 83° N (T4 flyby) at 0.5 cm -1 resolution. The spectral range 1210-1310 cm -1 was used to retrieve the temperature profile in the range 145-490 km at 13° S and 165-300 km at 83° N. These two temperature profiles were then incorporated in the atmospheric model to retrieve the abundance profile of H 12C 14N, H 13CN and HC 15N from their bands at 713, 706 and 711 cm -1, respectively. The HCN abundance profile was retrieved in the range 90-460 km at 15° S and 165-305 km at 83° N. There is no evidence for vertical variations of the isotopic ratios. Constraining the isotopic abundance profiles to be proportional to the HCN one, we find C12/C13=89-18+22 at 15° S, and 68-12+16 at 83° N, two values that are statistically consistent. A combination of these results yields a 12C/ 13C value equal to 75±12. This global result, as well as the 15° S one, envelop the value in Titan's methane ( 82.3±1) [Niemann, H.B., and 17 colleagues, 2005. Nature 438, 779-784] measured at 10° S and is slightly lower than the terrestrial inorganic standard value (89). The 14N/ 15N isotopic ratio is found equal to 56-13+16 at 15° S and 56-9+10 at 83° N. Combining the two values yields 14N/ 15N = 56 ± 8, which corresponds to an enrichment in 15N of about 4.9 compared with the terrestrial ratio. These results agree with the values obtained from previous ground-based millimeter observations [Hidayat, T., Marten, A., Bézard, B., Gautier, D., Owen, T., Matthews, H.E., Paubert, G., 1997. Icarus 126, 170-182; Marten, A., Hidayat, T., Biraud, Y., Moreno, R., 2002. Icarus 158, 532-544]. The 15N/ 14N ratio found in HCN is ˜3 times higher than in N 2 [Niemann, H.B., and 17 colleagues, 2005. Nature 438, 779

  12. Powder-XRD and (14) N magic angle-spinning solid-state NMR spectroscopy of some metal nitrides.

    PubMed

    Kempgens, Pierre; Britton, Jonathan

    2016-05-01

    Some metal nitrides (TiN, ZrN, InN, GaN, Ca3 N2 , Mg3 N2 , and Ge3 N4 ) have been studied by powder X-ray diffraction (XRD) and (14) N magic angle-spinning (MAS) solid-state NMR spectroscopy. For Ca3 N2 , Mg3 N2 , and Ge3 N4 , no (14) N NMR signal was observed. Low speed (νr  = 2 kHz for TiN, ZrN, and GaN; νr  = 1 kHz for InN) and 'high speed' (νr  = 15 kHz for TiN; νr  = 5 kHz for ZrN; νr  = 10 kHz for InN and GaN) MAS NMR experiments were performed. For TiN, ZrN, InN, and GaN, powder-XRD was used to identify the phases present in each sample. The number of peaks observed for each sample in their (14) N MAS solid-state NMR spectrum matches perfectly well with the number of nitrogen-containing phases identified by powder-XRD. The (14) N MAS solid-state NMR spectra are symmetric and dominated by the quadrupolar interaction. The envelopes of the spinning sidebands manifold are Lorentzian, and it is concluded that there is a distribution of the quadrupolar coupling constants Qcc 's arising from structural defects in the compounds studied.

  13. FOURIER TRANSFORM EMISSION SPECTROSCOPY OF THE B {sup 2}{Sigma}{sup +}-X {sup 2}{Sigma}{sup +} (VIOLET) SYSTEM OF {sup 13}C{sup 14}N

    SciTech Connect

    Ram, R. S.; Bernath, P. F.

    2011-06-01

    Emission spectra of the B {sup 2}{Sigma}{sup +}-X {sup 2}{Sigma}{sup +} transition of {sup 13}C{sup 14}N have been observed at high resolution using the Fourier transform spectrometer associated with the McMath-Pierce Solar Telescope of the National Solar Observatory. The spectra have been measured in the 21000-30000 cm{sup -1} region and a total of 52 vibrational bands involving vibrational levels up to v = 15 of the ground and excited states have been rotationally analyzed to provide a much improved set of spectroscopic constants. An experimental line list and calculated term values are provided. The results of the present analysis should prove useful in the identification of additional {sup 13}C{sup 14}N lines in comets and cool stars, and will help in the determination of the {sup 12}C/{sup 13}C abundance ratio.

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

    NASA Technical Reports Server (NTRS)

    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. Differential 14N/15N-Labeling of Peptides Using N-Terminal Charge Derivatization with a High-Proton Affinity for Straightforward de novo Peptide Sequencing

    PubMed Central

    Nihashi, Yoichiro; Miyashita, Masahiro; Awane, Hiroyuki; Miyagawa, Hisashi

    2013-01-01

    While de novo peptide sequencing is essential in many situations, it remains a difficult task. This is because peptide fragmentation results in complicated and often incomplete product ion spectra. In a previous study, we demonstrated that N-terminal charge derivatization with 4-amidinobenzoic acid (Aba) resulted in improved peptide fragmentation under low-energy CID conditions. However, even with this derivatization, some ambiguity exists, due to difficulties in discriminating between N- and C-terminal fragments. In this study, to specifically identify b-ions from complex product ion spectra, the differential 14N/15N-labeling of peptides was performed using Aba derivatization. 15N-Labeled Aba was synthesized in the form of a succinimide ester. Peptides were derivatized individually with 14N-Aba or 15N-Aba and analyzed by ESI-MS/MS using a linear ion trap-Orbitrap hybrid FTMS system. The N-terminal fragments (i.e., b-ions) were then identified based on m/z differences arising from isotope labeling. By comparing the spectra between 14N- and 15N-Aba derivatized peptides, b-ions could be successfully identified based on the m/z shifts, which provided reliable sequencing results for all of the peptides examined in this study. The method developed in this study allows the easy and reliable de novo sequencing of peptides, which is useful in peptidomics and proteomics studies. PMID:24860714

  16. 14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4cp03994g Click here for additional data file.

    PubMed Central

    Haies, Ibraheem M.; Jarvis, James A.; Bentley, Harry; Heinmaa, Ivo; Kuprov, Ilya; Williamson, Philip T. F.

    2015-01-01

    Overtone 14N NMR spectroscopy is a promising route for the direct detection of 14N signals with good spectral resolution. Its application is currently limited, however, by the absence of efficient polarization techniques for overtone signal enhancement and the lack of efficient numerical simulation techniques to aid in both the development of new methods and the analysis and interpretation of experimental data. In this paper we report a novel method for the transfer of polarization from 1H to the 14N overtone using symmetry-based R-sequences that overcome many of the limitations of adiabatic approaches that have worked successfully on static samples. Refinement of these sequences and the analysis of the resulting spectra have been facilitated through the development of an efficient simulation strategy for 14N overtone NMR spectroscopy of spinning samples, using effective Hamiltonians on top of Floquet and Fokker–Planck equations. PMID:25662410

  17. Stability and molecular dynamics of chloroxylenol (API of antiseptics and drugs) in solid state studied by 35Cl-NQR spectroscopy and DFT calculations

    NASA Astrophysics Data System (ADS)

    Latosińska, J. N.; Tomczak, M. A.; Kasprzak, J.

    2009-02-01

    Thermal stability of 4-chloro-3,5-dimethyl-phenol (chloroxylenol) in solid state has been studied by 35Cl-NQR spectroscopy. Two NQR resonance lines at the frequencies 34.348 and 34.415 MHz at 77 K have been assigned to chlorine atoms from two crystallographically inequivalent molecules on the basis of the B3LYP/6-311++G∗∗ results. The temperature dependence of the resonance frequency and full width at half maximum suggest the occurrence of small-angle torsional oscillations of the mean activation energy of 3.83 kJ/mol and rotation of both methyl groups around their symmetry axis C3 with the activation energies 12.49 and 11.27 kJ/mol for CH3 in molecule A and B, respectively. B3LYP/6-311++G∗∗ method reproduced very well the activation energies of both motions.

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

    NASA Astrophysics Data System (ADS)

    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.

  19. Volovik effect and Fermi-liquid behavior in the s-wave superconductor CaPd2As2: As75 NMR-NQR measurements

    DOE PAGES

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

    2016-04-07

    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. Additionally, the Volovik effect, also known as the Doppler shift effect, hasmore » been clearly evidenced by the observation of the suppression of the HS peak with applied magnetic field.« less

  20. Diode laser spectroscopy of the fundamental bands of 12C14N, 13C14N, 12C15N, 13C15N free radicals in the ground 2 Sigma+ electronic state.

    PubMed

    Hübner, M; Castillo, M; Davies, P B; Röpcke, J

    2005-01-01

    Rotationally resolved spectra of the fundamental band of the CN free radical in four isotopic forms have been measured using tunable diode laser absorption spectroscopy. The source of the radical was a microwave discharge in a mixture of isotopically selected methane and nitrogen diluted with argon. The lines were measured to an accuracy of 5 x 10(-4) cm(-1) and fitted to the formula for the vibration rotation spectrum of a diatomic molecule, including quartic distortion constants. The band origins of each of the isotopomers from the five parameter fits were found to be 12C14N: 2042.42115(38) cm(-1), 13C14N: 2000.08479(23) cm(-1), 12C15N: 2011.25594(25) cm(-1), 13C15N: 1968.22093(33) cm(-1) with one standard deviation from the fit given in parenthesis. Some of the lines showed a resolved splitting due to the spin rotation interaction. This was averaged for fitting purposes. The average equilibrium internuclear distance derived from the upsilon = 0 and 1 rotational constants of the four isotopomers is 1.171800(6) A which is in good agreement with the value determined from microwave spectroscopy.

  1. 35Cl NQR study of lattice dynamic and magnetic property of a crystalline coordination polymer {CuCA(phz)(H 2O) 2} n

    NASA Astrophysics Data System (ADS)

    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.

  2. Coulomb disorder effects on angle-resolved photoemission and nuclear quadrupole resonance spectra in cuprates

    NASA Astrophysics Data System (ADS)

    Chen, Wei; Khaliullin, Giniyat; Sushkov, Oleg P.

    2009-09-01

    The role of Coulomb disorder, either of extrinsic origin or introduced by dopant ions in undoped and lightly doped cuprates, is studied. We demonstrate that charged surface defects in an insulator lead to a Gaussian broadening of the angle-resolved photoemisson spectroscopy (ARPES) lines. The effect is due to the long-range nature of the Coulomb interaction. A tiny surface concentration of defects about a fraction of one percent is sufficient to explain the line broadening observed in Sr2CuO2Cl2 , La2CuO4 , and Ca2CuO2Cl2 . Due to the Coulomb screening, the ARPES spectra evolve dramatically with doping, changing their shape from a broad Gaussian form to narrow Lorentzian ones. To understand the screening mechanism and the line-shape evolution in detail, we perform Hartree-Fock simulations with random positions of surface defects and dopant ions. To check validity of the model we calculate the nuclear quadrupole resonance (NQR) line shapes as a function of doping and reproduce the experimentally observed NQR spectra. Our study also indicates opening of a substantial Coulomb gap at the chemical potential. For a surface CuO2 layer the value of the gap is on the order of 10 meV while in the bulk it is reduced to the value about a few meV.

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

    NASA Technical Reports Server (NTRS)

    Borsa, F.; Rigamonti, A.

    1990-01-01

    La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for O = to or less than 0.3 and in the temperature range 1.6 + 450 K are analyzed in terms of Cu(++) magnetic correlations and dynamics. It is described how the magnetic correlations that would result from Cu-Cu exchange are reduced by mobile charge defects related to x-doping. A comprehensive picture is given which explains satisfactorily the x and T dependence of the correlation time, of the correlation length and of the Neel temperature T(sub n)(x) as well as being consistent with known electrical resistivity and magnetic susceptibility measurements. It is discussed how, in the superconducting samples, the mobile defects also cause the decrease, for T yields T(sub c)(+) of the hyperfine Cu electron-nucleus effective interaction, leading to the coexistence of quasi-localized, reduced magnetic moments from 3d Cu electrons and mobile oxygen p-hole carriers. The temperature dependence of the effective hyperfine field around the superconducting transition yields an activation energy which could be related to the pairing energy. New specific heat measurements are also presented and discussed in terms of the above picture.

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

    NASA Technical Reports Server (NTRS)

    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.

  5. Importance of Nitrate Attenuation In A Small Wetland Following Forest Harvest: 18O/16O, 15N/14N in nitrate and 15N/14N) in vegetation

    NASA Astrophysics Data System (ADS)

    Spoelstra, J.; Schiff, S. L.; Semkin, R. G.; Jeffries, D. S.; Elgood, R. J.

    2004-05-01

    Forest harvest can result in elevated nitrate concentrations in streams and groundwater affecting forest regeneration and downstream aquatic ecosystems. Turkey Lakes Watershed, located near Sault Ste Marie, Ontario (TLW), exhibits relatively high nitrate export due to naturally high rates of nitrification. During a forest harvest experiment at the TLW, stable isotope techniques were used to investigate nitrate attenuation in an intermediate position natural wetland receiving high concentrations of nitrate following forest clear-cutting. Isotopic analysis of nitrate (18O/16O, 15N/14N) and vegetation (15N/14N) demonstrated that denitrification and plant uptake of nitrate resulted in significantly lower nitrate concentrations in wetland outflow compared to incoming stream water and groundwater. The 0.2-hectare forested swamp, too small to show up on standard topographic maps, retained 65 to 100 percent of upgradient nitrate inputs, elevated due to increased nitrification in soils. The 15N/14N enrichment factor associated with nitrate attenuation in wetland surface water was lower than observed during denitrification in groundwaters, suggesting that denitrification proceeded to completion in some areas of the wetland. Even small, shallow, carbon rich pockets of organic matter in topographic depressions can significantly affect biogeochemical fluxes of C, N, S and Ca. Future forest management practices designed to recognize and preserve small wetlands could significantly reduce the potentially detrimental effects of forest harvest on aquatic systems.

  6. Synthesis, crystal structure, and photocatalytical properties of Ba3Ta5O14N

    NASA Astrophysics Data System (ADS)

    Anke, B.; Bredow, T.; Soldat, J.; Wark, M.; Lerch, M.

    2016-01-01

    Light yellow Ba3TaV5O14N was successfully synthesized as phase-pure material crystallizing isostructurally to well-known mixed-valence Ba3TaV4TaIVO15. The electronic structure of Ba3Ta5O14N was studied theoretically with a hybrid Hartree-Fock-DFT method. The most stable structure was obtained when nitrogen atoms were placed at 4 h sites having fourfold coordination. By incorporating nitrogen, the band gap decreases from ∼3.8 eV commonly known for barium tantalum(V) oxides to 2.8 eV for the oxide nitride, giving rise to an absorption band well in the visible-light region. Ba3Ta5O14N was also tested for photocatalytic hydrogen formation.

  7. (1)H-(14)N cross-relaxation spectrum analysis in sildenafil and sildenafil citrate.

    PubMed

    Gregorovič, Alan; Apih, Tomaž; Seliger, Janez

    2016-09-01

    Here we describe a method for the extraction of (14)N quadrupole parameters from a (1)H-(14)N cross-relaxation spectrum by fitting the lineshapes of the (14)N quadrupole transitions. The procedures used typically to fit quadrupole lineshapes are not directly applicable to fit the (1)H-(14)N cross-relaxation spectrum, because the presence of proton homonuclear dipolar interaction broadens the lineshapes considerably and prevents a reliable determination of Cq and η from a single lineshape. Instead, one must fit two or even three lineshapes originating from the same nitrogen site simultaneously. The problem is to identify which lineshapes belong together when many are observed due to the existence of several nitrogen sites. We solve this problem by fitting the spectrum for all possible combinations and find the best-fitting one. This combination then most likely correctly identifies lineshapes belonging to the same nitrogen site. There are two main advantages of our method compared to the typically used method, which relies only on lineshape singularities: (i) the method is "automatic" and does not require knowledge of nitrogen quadrupole parameters in similar environments to aid dip pairing and (ii) the accuracy of quadrupole parameters is better, as proton linewidth is included in the fits. We use sildenafil and sildenafil citrate as model compounds, each with six non-equivalent nitrogen sites.

  8. (1)H-(14)N cross-relaxation spectrum analysis in sildenafil and sildenafil citrate.

    PubMed

    Gregorovič, Alan; Apih, Tomaž; Seliger, Janez

    2016-09-01

    Here we describe a method for the extraction of (14)N quadrupole parameters from a (1)H-(14)N cross-relaxation spectrum by fitting the lineshapes of the (14)N quadrupole transitions. The procedures used typically to fit quadrupole lineshapes are not directly applicable to fit the (1)H-(14)N cross-relaxation spectrum, because the presence of proton homonuclear dipolar interaction broadens the lineshapes considerably and prevents a reliable determination of Cq and η from a single lineshape. Instead, one must fit two or even three lineshapes originating from the same nitrogen site simultaneously. The problem is to identify which lineshapes belong together when many are observed due to the existence of several nitrogen sites. We solve this problem by fitting the spectrum for all possible combinations and find the best-fitting one. This combination then most likely correctly identifies lineshapes belonging to the same nitrogen site. There are two main advantages of our method compared to the typically used method, which relies only on lineshape singularities: (i) the method is "automatic" and does not require knowledge of nitrogen quadrupole parameters in similar environments to aid dip pairing and (ii) the accuracy of quadrupole parameters is better, as proton linewidth is included in the fits. We use sildenafil and sildenafil citrate as model compounds, each with six non-equivalent nitrogen sites. PMID:27379753

  9. 10B+α states with chain-like structures in 14N

    NASA Astrophysics Data System (ADS)

    Kanada-En'yo, Yoshiko

    2015-12-01

    I investigate 10B+α -cluster states of 14N with a 10B+α -cluster model. Near the α -decay threshold energy, I obtain Kπ=3+ and Kπ=1+ rotational bands having 10B(3+) +α and 10B(1+) +α components, respectively. I assign the bandhead state of the Kπ=3+ band to the experimental 3+ at Ex=13.19 MeV of 14N observed in α scattering reactions by 10B and show that the calculated α -decay width is consistent with the experimental data. I discuss an α -cluster motion around the 10B cluster and show that the Kπ=3+ and Kπ=1+ rotational bands contain an enhanced component of a linear-chain 3 α configuration, in which an α cluster is localized in the longitudinal direction around the deformed 10B cluster.

  10. Spectroscopic observations of 14N/15N ratios in both NH2 and CN in comet C/2013 US10 (Catalina)

    NASA Astrophysics Data System (ADS)

    Shinnaka, Yoshiharu; Kawakita, Hideyo

    2016-10-01

    Comet is one of the primordial small bodies in the solar system and probably it has kept the information about the evolution of materials from the pre-solar molecular cloud to the solar nebula.Isotopic ratio in volatiles is one of the primordial properties of comets. A heavier isotopes trend to be captured into a molecule by chemical reactions under very low-temperature conditions (called as fractionation). For instance, D/H ratio of water (HDO/H2O) in comet is enriched in D atom than the elemental abundance ratios of D/H in entire solar system [1]. Based on the observed D/H ratios in cometary water, a presumed temperature is ~20–50 K as the formation temperature of water (most abundant volatiles in cometary nucleus), by assuming water formed in gas-phase chemistry [2].Besides, the nitrogen isotopic ratios (14N/15N) have been determined from CN and HCN (which is believed a dominant "parent" species of CN in the coma) in >20 comets [3,4]. They demonstrated cometary HCN and CN show high 15N-fractionation with respect to the proto-solar value by a factor of ~3 and with a small diversity. Moreover, 14N/15N ratios in NH3 in comets has been determined from intensity ratios of NH2 isotopologues [5,6,7], and both 15N-fractionation as much as HCN in comets and a small diversity are seen in those 14N/15N ratios in NH3. However, there is a few reports about 14N/15N ratios in both HCN and NH3 in the same comets, and discussions about the relationship between these 14N/15N ratios have not been yet.We present 14N/15N ratios in both NH2 and CN in comet C/2013 US10 (Catalina). High-resolution optical spectra of the comet were taken with the HDS spectrograph mounted on the Subaru Telescope (Hawaii) on UT 2016 January 2–3. We will discuss about the origins of these volatiles based on the 14N/15N ratios.This work was supported by Graint-in-Aid for JSPS Fellows, 15J10864 (YS).References:[1] Lis et al., 2013, ApJ 774, L3[2] Millar et al., 1989, ApJ 340, 906[3] Bockelée-Morvan et

  11. Amine templating effect absent in uranyl sulfates synthesized with 1,4-n-butyldiamine

    SciTech Connect

    Jouffret, Laurent J.; Wylie, Ernest M.; Burns, Peter C.

    2013-01-15

    Two new uranyl sulfates, (C{sub 4}H{sub 14}N{sub 2})[(UO{sub 2}){sub 2}(SO{sub 4}){sub 3}(H{sub 2}O)]{center_dot}2H{sub 2}O (NDUS2) and (C{sub 4}H{sub 14}N{sub 2})[(UO{sub 2})(SO{sub 4}){sub 2}(H{sub 2}O)]{center_dot}2H{sub 2}O (NDUS3), were synthesized and their crystal structures determined. NDUS2 was obtained in highly acidic media heat-treated at 373 K and subsequently maintained at 278 K until crystals formed after two months. NDUS3 results from the degradation of NDUS2 over the course of a few days. NDUS2 and NDUS3 crystallize in the monoclinic space group P2{sub 1}/n, a=10.9075(4) A, b=10.4513(4) A, c=17.7881(7) A, {beta}=97.908(2) Degree-Sign , V=2008.52(13) A{sup 3}, Z=4, at 140 K and a=8.8570(4) A, b=7.3299(3) A, c=20.4260(9) A, {beta}=95.140(2) Degree-Sign , V=1320.74(10) A{sup 3}, Z=4, at 140 K, respectively. The compounds contain interlayer 1,4-n-butyldiammonium cations that charge-balance the anionic structural units. - Graphical abstract: Amine templating effect absent in uranyl sulfates synthesized with 1,4-diaminobutane, as shown by the synthesis of two new uranyl sulfates, (C{sub 4}H{sub 14}N{sub 2})[(UO{sub 2}){sub 2}(SO{sub 4}){sub 3}(H{sub 2}O)]{center_dot}2H{sub 2}O (NDUS2) and (C{sub 4}H{sub 14}N{sub 2})[(UO{sub 2})(SO{sub 4}){sub 2}(H{sub 2}O)]{center_dot}2H{sub 2}O (NDUS3). Highlights: Black-Right-Pointing-Pointer Two layered uranyl sulfates were synthesized. Black-Right-Pointing-Pointer Amine molecules are located in the interlayers of the compounds. Black-Right-Pointing-Pointer No templating effect of the amine was observed. Black-Right-Pointing-Pointer Amine molecules are only charge balancing cations in the structures.

  12. Cu NQR Study of Impurity-doped YBa_2(Cu_1-xM_x)_4O8 (M=Ni, Zn)

    NASA Astrophysics Data System (ADS)

    Itoh, Yutaka; Machi, Takato; Watanabe, Nobuaki; Koshizuka, Naoki

    2001-03-01

    We report Cu NQR measurements of ^63Cu(2) nuclear spin-lattice relaxation curves for the impurity-doped powdered YBa_2(Cu_1-xM_x)_4O8 (M=Ni, x=0 ~0.042 M=Zn, x=0 ~0.022) from 4.2 K to 300 K. We estimated the host and the impurity-induced Cu nuclear spin-lattice relaxation times from the nonexponential recovery curves. Near the superconductor-to-semiconductor transition at the critical impurity concentration, we observed that the wipeout effect works at low temperature and that the pseudo spin-gap behavior of the host Cu nuclear spin-lattice relaxation rate (1/T_1T)_HOST is suppressed. We associate these results with the localization effect in conduction. This work was supported by New Energy and Industrial Technology Development Organization (NEDO) as Collaborative Research and Development of Fundamental Technologies for Superconductivity Applications.

  13. High sensitivity cavity ring down spectroscopy of N2O near 1.22 μm: (II) 14N216O line intensity modeling and global fit of 14N218O line positions

    NASA Astrophysics Data System (ADS)

    Tashkun, S. A.; Perevalov, V. I.; Karlovets, E. V.; Kassi, S.; Campargue, A.

    2016-06-01

    In a recent work (Karlovets et al., 2016 [1]), we reported the measurement and rovibrational assignments of more than 3300 transitions belonging to 64 bands of five nitrous oxide isotopologues (14N216O, 14N15N16O, 15N14N16O, 14N218O and 14N217O) in the high sensitivity CRDS spectrum recorded in the 7915-8334 cm-1 spectral range. The assignments were performed by comparison with predictions of the effective Hamiltonian models developed for each isotopologue. In the present paper, the large amount of measurements from our previous work mentioned above and literature are gathered to refine the modeling of the nitrous oxide spectrum in two ways: (i) improvement of the intensity modeling for the principal isotopologue, 14N216O, near 8000 cm-1 from a new fit of the relevant effective dipole moment parameters, (ii) global modeling of 14N218O line positions from a new fit of the parameters of the global effective Hamiltonian using an exhaustive input dataset collected in the literature in the 12-8231 cm-1 region. The fitted set of 81 parameters allowed reproducing near 5800 measured line positions with an RMS deviation of 0.0016 cm-1. The dimensionless weighted standard deviation of the fit is 1.22. As an illustration of the improvement of the predictive capabilities of the obtained effective Hamiltonian, two new 14N218O bands could be assigned in the CRDS spectrum in the 7915-8334 cm-1 spectral range. A line list at 296 K has been generated in the 0-10,700 cm-1 range for 14N218O in natural abundance with a 10-30 cm/molecule intensity cutoff.

  14. Systematic R -matrix analysis of the 13C(p ,γ )14N capture reaction

    NASA Astrophysics Data System (ADS)

    Chakraborty, Suprita; deBoer, Richard; Mukherjee, Avijit; Roy, Subinit

    2015-04-01

    Background: The proton capture reaction 13C(p ,γ )14N is an important reaction in the CNO cycle during hydrogen burning in stars with mass greater than the mass of the Sun. It also occurs in astrophysical sites such as red giant stars: the asymptotic giant branch (AGB) stars. The low energy astrophysical S factor of this reaction is dominated by a resonance state at an excitation energy of around 8.06 MeV (Jπ=1-,T =1 ) in 14N. The other significant contributions come from the low energy tail of the broad resonance with Jπ=0-,T =1 at an excitation of 8.78 MeV and the direct capture process. Purpose: Measurements of the low energy astrophysical S factor of the radiative capture reaction 13C(p ,γ )14N reported extrapolated values of S (0 ) that differ by about 30 % . Subsequent R -matrix analysis and potential model calculations also yielded significantly different values for S (0 ) . The present work intends to look into the discrepancy through a detailed R -matrix analysis with emphasis on the associated uncertainties. Method: A systematic reanalysis of the available decay data following the capture to the Jπ=1-,T =1 resonance state of 14N around 8.06 MeV excitation had been performed within the framework of the R -matrix method. A simultaneous analysis of the 13C(p ,p0 ) data, measured over a similar energy range, was carried out with the capture data. The data for the ground state decay of the broad resonance state (Jπ=0-,T =1 ) around 8.78 MeV excitations was included as well. The external capture model along with the background poles to simulate the internal capture contribution were used to estimate the direct capture contribution. The asymptotic normalization constants (ANCs) for all states were extracted from the capture data. The multichannel, multilevel R -matrix code azure2 was used for the calculation. Results: The values of the astrophysical S factor at zero relative energy, resulting from the present analysis, are found to be consistent within the

  15. SU-E-J-142: Prompt Gamma Emission Measurements From a Passively Scattered Proton Beam On Targets Containing 16O, 12C and 14N

    SciTech Connect

    Jeyasugiththan, J; Peterson, S

    2015-06-15

    Purpose: To measure the prompt gamma emission from the important elements found in tissue ({sup 16}O,{sup 12}C and {sup 14}N) in a clinical passive-scatter treatment environment. Methods: The targets (composed of water, Perspex, graphite and liquid nitrogen) were irradiated with a 200 MeV passive-scatter proton beam and the discrete prompt gamma energy spectra was detected by a high resolution 2′ × 2′ LaBr. detector. In order to reduce the high level of radiation produced by the beam line elements, the detector was surrounded by 10 cm of lead to attenuate the scattered gamma-rays entering the detector with an extra 5 cm thick layer of lead added along the beam direction. A 10 cm thick collimator with a 5 cm × 10 cm rectangular opening was also used. Results: The prompt gamma peaks at 6.13 MeV and 4.44 MeV were clearly identified as a Result of the inelastic nuclear reaction between the protons and the 16O atoms found in the water target. The 6.13 MeV peak was 5% higher than the peak at 4.44 MeV for the water target. The 4.44 MeV peak was the only identified emission in the prompt gamma energy spectra from the graphite target ({sup 12}C). The expected 2.313 MeV peak form the{sup 14}N (liquid nitrogen target) was identified, but the other expected {sup 14}N peaks could not be resolved. Conclusion: Prompt gamma measurements with a passive-scatter proton beam are possible, but the presence of a high amount of background radiation from the patient final collimator presents a challenge at the treatment isocenter. The prominent prompt gamma peaks at 6.13 MeV and 4.44 MeV were identified from the water, Perspex and graphite targets. The prompt gammas from the liquid nitrogen target were difficult to see, but may not be significant in the in-vivo verification process.

  16. Neutron scattering cross sections from /sup 14/N and /sup 9/Be at 11, 14, and 17 MeV

    SciTech Connect

    Templon, J.A.; Dave, J.H.; Gould, C.R.; Singkarat, S.

    1985-12-01

    Neutron scattering cross sections were measured for /sup 14/N and /sup 9/Be at incident neutron energies of 11, 14, and 17 MeV using time-of-flight methods. Angular distributions for /sup 14/N and /sup 9/Be elastic scattering and /sup 9/Be inelastic scattering to the 2.429-MeV excited state were obtained betwee 20 and 160 deg in 5-deg increments. The data were corrected for finite geometry effects using a Monte Carlo simulation code. Lengendre polynomial coefficients deduced by fitting the experimental data are tabulated. The results of a spherical optical model analysis for the /sup 14/N data are reported. Coulomb correction terms are obtained from a comparison of neutron and proton elastic scattering data for /sup 14/N.

  17. ^14N (p,p) Scattering with the KN Van de Graff Accelerator

    NASA Astrophysics Data System (ADS)

    Lyons, Stephanie; Wiescher, Michael

    2009-03-01

    The ^14N (p,p) scattering experiment was performed with the 4 MV KN Van de Graff Accelerator at the Nuclear Structure Laboratory at the University of Notre Dame. The KN experienced many problems throughout the experiment requiring several belt changes, a change of the drive motor bearings, and a resistor check. The first run of data was converted to cross-sections, and normalized to 30 , which was assumed to be completely Rutherford. Resonances were found at 1.06, 1.55, 1.74, 1.80, 2.34, and 2.47 MeV. These values correlated with previous work done. Further experimentation will be required to clarify the resonances and verify that the scattering at 30 is completely Rutherford.

  18. Storm Spectra

    NASA Technical Reports Server (NTRS)

    2007-01-01

    portion is defined by the day/night boundary (known as the terminator).

    These two images illustrate only a small fraction of the information contained in a single LEISA scan, highlighting just one aspect of the power of infrared spectra for atmospheric studies.

  19. Towards ferromagnetic quantum criticality in FeGa3 -xGex :71Ga NQR as a zero-field microscopic probe

    NASA Astrophysics Data System (ADS)

    Majumder, M.; Wagner-Reetz, M.; Cardoso-Gil, R.; Gille, P.; Steglich, F.; Grin, Y.; Baenitz, M.

    2016-02-01

    71Ga NQR, magnetization, and specific-heat measurements have been performed on polycrystalline Ge-doped FeGa3 samples. A crossover from an insulator to a correlated local moment metal in the low-doping regime and the evolution of itinerant ferromagnet upon further doping is found. For the nearly critical concentration at the threshold of ferromagnetic order, xC=0.15, 71(1 /T1T ) exhibits a pronounced T-4 /3 power law over two orders of magnitude in temperature, which indicates three-dimensional quantum critical ferromagnetic fluctuations. Furthermore, for the ordered x =0.2 sample (TC≈6 K), 71(1 /T1T ) could be fitted well in the frame of Moriya's self-consistent renormalization theory for weakly ferromagnetic systems with 1 /T1T ˜χ . In contrast to this, the low-doping regime nicely displays local moment behavior where 1 /T1T ˜χ2 is valid. For T →0 , the Sommerfeld ratio γ =(C /T ) is enhanced (70 mJ /mole K2 for x =0.1 ) , which indicates the formation of heavy 3 d electrons.

  20. Cross section measurement of 14N(p ,γ )15O in the CNO cycle

    NASA Astrophysics Data System (ADS)

    Li, Q.; Görres, J.; deBoer, R. J.; Imbriani, G.; Best, A.; Kontos, A.; LeBlanc, P. J.; Uberseder, E.; Wiescher, M.

    2016-05-01

    Background: The CNO cycle is the main energy source in stars more massive than our sun; it defines the energy production and the cycle time that lead to the lifetime of massive stars, and it is an important tool for the determination of the age of globular clusters. In our sun about 1.6% of the total solar neutrino flux comes from the CNO cycle. The largest uncertainty in the prediction of this CNO flux from the standard solar model comes from the uncertainty in the 14N(p ,γ )15O reaction rate; thus, the determination of the cross section at astrophysical temperatures is of great interest. Purpose: The total cross section of the 14N(p ,γ )15O reaction has large contributions from the transitions to the Ex=6.79 MeV excited state and the ground state of 15O. The Ex=6.79 MeV transition is dominated by radiative direct capture, while the ground state is a complex mixture of direct and resonance capture components and the interferences between them. Recent studies have concentrated on cross-section measurements at very low energies, but broad resonances at higher energy may also play a role. A single measurement has been made that covers a broad higher-energy range but it has large uncertainties stemming from uncorrected summing effects. Furthermore, the extrapolations of the cross section vary significantly depending on the data sets considered. Thus, new direct measurements have been made to improve the previous high-energy studies and to better constrain the extrapolation. Methods: Measurements were performed at the low-energy accelerator facilities of the nuclear science laboratory at the University of Notre Dame. The cross section was measured over the proton energy range from Ep=0.7 to 3.6 MeV for both the ground state and the Ex=6.79 MeV transitions at θlab=0∘ , 45∘, 90∘, 135∘, and 150∘. Both TiN and implanted-14N targets were utilized. γ rays were detected by using an array of high-purity germanium detectors. Results: The excitation function as

  1. 17O(p, α) 14N study at the LUNA accelerator

    NASA Astrophysics Data System (ADS)

    Scott, D. A.; Bruno, C.; Caciolli, A.; LUNA Collaboration

    2013-08-01

    Hydrogen burning of 17O sensitively influences nucleosynthesis in a number of stellar sites, including red giants, asymptotic giant branch (AGB) stars, massive stars, and classical novae. In particular, the ratio between reaction rates of 17O(p, α) 14N (Q=1.2 MeV) and 17O(p, γ) 18F (Q=5.6 MeV) channels on 17O is one of the most important parameters for the galactic synthesis of 17O, the stellar production of radioactive 18F, and for predicted O isotopic ratios in premolar grains. Now the LUNA collaboration is preparing a new effort to study the (p, α) channel on 17O at astrophysical energies. To reach this goal a new chamber has been constructed which allows to place 8 silicons detectors in backward directions. The setup improves the efficiency which is a crucial parameter in measuring nuclear reaction at such low energies. Aluminum foils are placed on the silicon in order to stop the elastic backscattered protons which otherwise produce non-negligible background on the silicons.

  2. COMPARISON OF STABLE-NITROGEN (15N/14N) ISOTOPE RATIOS IN LARGE MOUTH BASS SCALES AND MUSCLE TISSUE

    EPA Science Inventory

    Stable-nitrogen (15N/14N) isotope ratios of fish tissue are currently used to determine trophic structure, contaminant bioaccumulation, and the level of anthropogenic nitrogen enrichment in aquatic systems. The most common tissue used for these measurements is fileted dorsal musc...

  3. The Effects of Internal Rotation and 14N Quadrupole Coupling in N-Methyldiacetamide

    NASA Astrophysics Data System (ADS)

    Kannengießer, Raphaela; Eibl, Konrad; Nguyen, Ha Vinh Lam; Stahl, Wolfgang

    2015-06-01

    Acetyl- and nitrogen containing substances play an important role in chemical, physical, and especially biological systems. This applies in particular for acetamides, which are structurally related to peptide bonds. In this work, N-methyldiacetamide, CH_3N(COCH_3)_2, was investigated by a combination of molecular beam Fourier transform microwave spectroscopy and quantum chemical calculations. In N-methyldiacetamide, at least three large amplitude motions are possible: (1) the internal rotation of the methyl group attached to the nitrogen atom and (2, 3) the internal rotations of both acetyl methyl groups. This leads to a rather complicated torsional fine structure of all rotational transitions with additional quadrupole hyperfine splittings caused by the 14N nucleus. Quantum chemical calculations were carried out at the MP2/6-311++G(d,p) level of theory to support the spectral assignment. Conformational analysis was performed by calculating a full potential energy surface depending on the orientation of the two acetyl groups. This yielded three stable conformers with a maximum energy difference of 35.2 kJ/mol. The spectrum of the lowest energy conformer was identified in the molecular beam. The quadrupole hyperfine structure as well as the internal rotation of two methyl groups could be assigned. For the N-methyl group and for one of the two acetyl methyl groups, barriers to internal rotation of 147 cm-1 and of 680 cm-1, respectively, were determined. The barrier of the last methyl group seems to be so high that no additional splittings could be resolved. Using the XIAM program, a global fit with a standard deviation on the order of our experimental accuracy could be achieved.

  4. DFT-D study of 14N nuclear quadrupolar interactions in tetra-n-alkyl ammonium halide crystals.

    PubMed

    Dib, Eddy; Alonso, Bruno; Mineva, Tzonka

    2014-05-15

    The density functional theory-based method with periodic boundary conditions and addition of a pair-wised empirical correction for the London dispersion energy (DFT-D) was used to study the NMR quadrupolar interaction (coupling constant CQ and asymmetry parameter ηQ) of (14)N nuclei in a homologous series of tetra-n-alkylammonium halides (C(x)H(2x+1))4N(+)X(-) (x = 1-4), (X = Br, I). These (14)N quadrupolar properties are particularly challenging for the DFT-D computations because of their very high sensitivity to tiny geometrical changes, being negligible for other spectral property calculations as, for example, NMR (14)N chemical shift. In addition, the polarization effect of the halide anions in the considered crystal mesophases combines with interactions of van der Waals type between cations and anions. Comparing experimental and theoretical results, the performance of PBE-D functional is preferred over that of B3LYP-D. The results demonstrated a good transferability of the empirical parameters in the London dispersion formula for crystals with two or more carbons per alkyl group in the cations, whereas the empirical corrections in the tetramethylammonium halides appeared to be inappropriate for the quadrupolar interaction calculation. This is attributed to the enhanced cation-anion attraction, which causes a strong polarization at the nitrogen site. Our results demonstrated that the (14)N CQ and ηQ are predominantly affected by the molecular structures of the cations, adapted to the symmetry of the anion arrangements. The long-range polarization effect of the surrounding anions at the target nitrogen site becomes more important for cells with lower spatial symmetry. PMID:24758512

  5. DFT-D study of 14N nuclear quadrupolar interactions in tetra-n-alkyl ammonium halide crystals.

    PubMed

    Dib, Eddy; Alonso, Bruno; Mineva, Tzonka

    2014-05-15

    The density functional theory-based method with periodic boundary conditions and addition of a pair-wised empirical correction for the London dispersion energy (DFT-D) was used to study the NMR quadrupolar interaction (coupling constant CQ and asymmetry parameter ηQ) of (14)N nuclei in a homologous series of tetra-n-alkylammonium halides (C(x)H(2x+1))4N(+)X(-) (x = 1-4), (X = Br, I). These (14)N quadrupolar properties are particularly challenging for the DFT-D computations because of their very high sensitivity to tiny geometrical changes, being negligible for other spectral property calculations as, for example, NMR (14)N chemical shift. In addition, the polarization effect of the halide anions in the considered crystal mesophases combines with interactions of van der Waals type between cations and anions. Comparing experimental and theoretical results, the performance of PBE-D functional is preferred over that of B3LYP-D. The results demonstrated a good transferability of the empirical parameters in the London dispersion formula for crystals with two or more carbons per alkyl group in the cations, whereas the empirical corrections in the tetramethylammonium halides appeared to be inappropriate for the quadrupolar interaction calculation. This is attributed to the enhanced cation-anion attraction, which causes a strong polarization at the nitrogen site. Our results demonstrated that the (14)N CQ and ηQ are predominantly affected by the molecular structures of the cations, adapted to the symmetry of the anion arrangements. The long-range polarization effect of the surrounding anions at the target nitrogen site becomes more important for cells with lower spatial symmetry.

  6. NQR investigation of pressure-induced charge transfer in oxygen-deficient YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} ({delta} = 0.38)

    SciTech Connect

    Reyes, A.P.; Ahrens, E.T.; Hammel, P.C.; Heffner, R.H.; Takigawa, M.

    1992-03-01

    Measurements of the pressure dependence of {sup 63}Cu nuclear quadrupole frequency in YBa{sub 2}Cu{sub 3}O{sub 6.62} from ambient pressure up to 1.5 GPa at 4k have been performed. {Tc} was found to increase with pressure: d{Tc}/dp {approximately} 5 K/GPa. All observed NQR lines are linear in pressure: dln{nu}{sub Q}/dp=z. We found positive z for the empty chain sites, consistent with ionic (Cu{sup 1+}) configuration in which the atom simply feels a squeezing lattice. Planar coppers close to the empty chains have positive z, while those that are close to full chains have z {approximately} 0. We present an analysis of the NQR result on the basis of the charge transfer model in which the mobile charges migrate from the chain to the plane sites. We deduced that a transfer of 0.021 holes to the O(2,3) sites would explain the result in YBa{sub 2}Cu{sub 3}O{sub 6.62}, whereas only 0.007 holes transfer in fully oxygenated YBa{sub 2}Cu{sub 3}O{sub 7}.

  7. The C14(n,γ) cross section between 10 keV and 1 MeV

    NASA Astrophysics Data System (ADS)

    Reifarth, R.; Heil, M.; Forssén, C.; Besserer, U.; Couture, A.; Dababneh, S.; Dörr, L.; Görres, J.; Haight, R. C.; Käppeler, F.; Mengoni, A.; O'Brien, S.; Patronis, N.; Plag, R.; Rundberg, R. S.; Wiescher, M.; Wilhelmy, J. B.

    2008-01-01

    The neutron capture cross section of C14 is of relevance for several nucleosynthesis scenarios such as inhomogeneous Big Bang models, neutron induced CNO cycles, and neutrino driven wind models for the r process. The C14(n,γ) reaction is also important for the validation of the Coulomb dissociation method, where the (n,γ) cross section can be indirectly obtained via the time-reversed process. So far, the example of C14 is the only case with neutrons where both, direct measurement and indirect Coulomb dissociation, have been applied. Unfortunately, the interpretation is obscured by discrepancies between several experiments and theory. Therefore, we report on new direct measurements of the C14(n,γ) reaction with neutron energies ranging from 20 to 800 keV.

  8. Static solid-state (14)N NMR and computational studies of nitrogen EFG tensors in some crystalline amino acids.

    PubMed

    O'Dell, Luke A; Schurko, Robert W

    2009-08-28

    The recently reported direct enhancement of integer spin magnetization (DEISM) methodology for signal enhancement in solid-state NMR of integer spins has been used to obtain static (14)N powder patterns from alpha-glycine, L-leucine and L-proline in relatively short experimental times at 9.4 T, allowing accurate determination of the quadrupolar parameters. Proton decoupling and deuteration of the nitrogen sites were used to reduce the (1)H-(14)N dipolar contribution to the transverse relaxation time allowing more echoes to be acquired per scan. In addition, ab initio calculations using molecular clusters (Gaussian 03) and the full crystal lattice (CASTEP) have been employed to confirm these results, to obtain the orientation of the electric field gradient (EFG) tensors in the molecular frame, and also to correctly assign the two sets of parameters for L-leucine. The (14)N EFG tensor is shown to be highly sensitive to the surrounding environment, particularly to nearby hydrogen bonding.

  9. Night Spectra Quest.

    ERIC Educational Resources Information Center

    Jacobs, Stephen

    1995-01-01

    Presents the Night Spectra Quest, a pocket-sized chart that identifies in color the spectra of all the common night lights and has an integrally mounted, holographic diffraction grating to look through. (JRH)

  10. IR spectroscopic analysis of polymorphism in C 13H 14N 4O

    NASA Astrophysics Data System (ADS)

    El-Kabbany, F.; Taha, S.; Hafez, M.

    2011-03-01

    IR analysis is used here to investigate the changes in N-N, N-H, C dbnd O modes of thermally treated diphenyl carbazide (DPC) during the variation of temperature from room temperature up to ≈160 °C. Polymorphism in DPC compound has been studied here by detecting the changes in some IR spectroscopic parameters (e.g., mode shift, band contour) during the elevation of temperature. Also, DSC, X-ray, NMR and atomic mass spectra are used as confirming tools for what is obtained by IR. All of the vibrations of DPC were found to be due to ionic fundamentals 3311 cm -1, 3097 cm -1, 3052 cm -1, 1677 cm -1, 1602 cm -1, 1492 cm -1, 1306 cm -1, 1252 cm -1, 887 cm -1 and 755 cm -1. The results revealed for the first time that the thermally treated DPC traverse four different phase transformations at 50 °C, 90 °C, 125 °C and 140 °C. The crystal structure was found to be amorphous, monoclinic, tetragonal, orthorhombic and amorphous within a temperature range (30 °C-160 °C). X-ray diffraction patterns support the results obtained by IR and DSC.

  11. Determination of the delta(15N/14N)of Ammonium (NH4+) in Water: RSIL Lab Code 2898

    USGS Publications Warehouse

    Hannon, Janet E.; Böhlke, John Karl

    2008-01-01

    The purpose of the technique described by Reston Stable Isotope Laboratory (RSIL) lab code 2898 is to determine the N isotopic composition, delta(15N/14N), abbreviated as d15N, of ammonium (NH4+) in water (freshwater and saline water). The procedure involves converting dissolved NH4+ into NH3 gas by raising the pH of the sample to above 9 with MgO and subsequently trapping the gas quantitatively as (NH4)2SO4 on a glass fiber (GF) filter. The GF filter is saturated with NaHSO4 and pressure sealed between two gas-permeable polypropylene filters. The GF filter 'sandwich' floats on the surface of the water sample in a closed bottle. NH3 diffuses from the water through the polypropylene filter and reacts with NaHSO4, forming (NH4)2SO4 on the GF filter. The GF filter containing (NH4)2SO4 is dried and then combusted with a Carlo Erba NC 2500 elemental analyzer (EA), which is used to convert total nitrogen in a solid sample into N2 gas. The EA is connected to a continuous-flow isotope-ratio mass spectrometer (CF-IRMS), which determines the relative difference in ratios of the amounts of the stable isotopes of nitrogen (15N and 14N) of the product N2 gas and a reference N2 gas. The filters containing the samples are compressed in tin capsules and loaded into a Costech Zero-Blank Autosampler on the EA. Under computer control, samples then are dropped into a heated reaction tube that contains an oxidant, where combustion takes place in a He atmosphere containing an excess of O2 gas. To remove S-O gases produced from the NaHSO4, a plug of Ag-coated Cu wool is inserted at the bottom of the reaction tube. Combustion products are transported by a He carrier through a reduction furnace to remove excess O2, toconvert all nitrogen oxides to N2, and to remove any remaining S-O gases. The gases then pass through a drying tube to remove water. The gas-phase products, mainly N2 and a small amount of background CO2, are separated by a gas chromatograph (GC). The gas is then introduced

  12. Spectra and structure of gallium compounds. II. Microwave, infrared, and Raman spectra, structure, and vibrational assignment of trimethylaminegallane

    NASA Astrophysics Data System (ADS)

    Durig, J. R.; Chatterjee, K. K.; Li, Y. S.; Jalilian, M.; Zozulin, A. J.; Odom, J. D.

    1980-07-01

    The microwave spectra of (CH3)3 14N 69GaH3, (CH3)3 14N 71GaH3, (CH3)3 15N 69GaH3, (CH3)3 15N 71GaH3, (CH3)3 14N 69GaD3 and (CH3)3 14N 71GaD3 were recorded from 26.5 to 40.0 GHz resulting in the first gas phase structural determination for a gallane adduct. An rs distance of 2.111±0.002 Å was obtained for the Ga-N bond. With reasonable assumptions for the structural parameters for the methyl moiety and the Ga-H distance the following molecular parameters were determined: r(N-C)=1.47 Å, uGaNC=110.0°, and uNGaH=102.0°. The barrier to internal rotation of the GaD3 moiety was calculated from the relative intensity of the vibrational satellites to be 1.2 kcal/mole. The infrared (200-4000 cm-1) and Raman spectra (50-3500 cm-1) of (CH3)3 NGaH3, (CH3)3 NGaD3, and (CH3)3 15NGaH3 have been recorded for the solid state at low temperature. The spectra have been interpreted in detail on the basis of C3v molecular symmetry. The splitting of the degenerate E modes in the spectra of the solids indicates that the previously determined crystal structure where the hydrogen positions were not determined is not correct for the complete molecule. A normal coordinate calculation has been carried out by utilizing a modified valence force field to calculate the frequencies and the potential energy distribution. The Ga-N stretch was found to be extensively mixed with the NC3 symmetric deformation for the (CH3)3 NGaH3 and for the d3 molecule additional mixing was found with the GaD3 symmetric deformation. The Ga-N force constant was found to have a value of 2.44 mdyn/Å which is considerably larger than the value of the Ga-P force constant (2.0 mdyn/Å) in (CH3)3 PGaH3. These results are compared to similar quantities in several corresponding Group IIIA-VA compounds.

  13. Resonance Strength Measurement at Astrophysical Energies: The 17O(p,α)14N Reaction Studied via THM

    NASA Astrophysics Data System (ADS)

    Sergi, M. L.; Spitaleri, C.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Rapisarda, G. G.; Mukhamedzhanov, A.; Irgaziev, B.; Tang, X. D.; Wischer, M.; Mrazek, J.; Kroha, V.

    2016-05-01

    In recent years, the Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of proton-induced reactions on 17O nuclei, overcoming extrapolation procedures and enhancement effects due to electron screening. We will report on the indirect study of the 17O(p,α)14N reaction via the Trojan Horse Method by applying the approach developed for extracting the resonance strength of narrow resonance in the ultralow energy region. The mean value of the strengths obtained in the two measurements was calculated and compared with the direct data available in literature.

  14. Resonance strength measurement at astrophysical energies: The 17O(p,α)14N reaction studied via Trojan Horse Method

    NASA Astrophysics Data System (ADS)

    Sergi, M. L.; Spitaleri, C.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Rapisarda, G. G.; Mukhamedzhanov, A.; Irgaziev, B.; Tang, X. D.; Wiescher, M.; Mrazek, J.; Kroha, V.

    2015-10-01

    In recent years, the Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of proton-induced reactions on 17O nuclei, overcoming extrapolation procedures and enhancement effects due to electron screening. We will report on the indirect study of the 17O(p,α)14N reaction via the THM by applying the approach developed for extracting the resonance strength of narrow resonance in the ultralow energy region. Two measurements will be described and the experimental THM cross sections will be shown for both experiments.

  15. Study of the Q branch structure of the 14N and 15N isotopologues of the ν4 band of ammonia using frequency chirped quantum cascade lasers.

    PubMed

    Duxbury, Geoffrey; Wilson, David; Hay, Kenneth; Langford, Nigel

    2013-10-01

    Intrapulse quantum cascade (QC) laser spectrometers are able to produce both saturation and molecular alignment of a gas sample owing to the rapid sweep of the radiation through the absorption features. In the QC lasers used to study the (14)N and (15)N isotopologues of the ν4 band of ammonia centered near 1625 cm(-1), the variation of the chirp rate during the scan is very large, from ca. 85 to ca. 15 MHz ns(-1). In the rapid chirp zone the collisional interaction time of the laser radiation with the gas molecules is short, and large rapid passage effects are seen, whereas at the slow chirp end the line shape resembles that of a Doppler broadened line. The total scan range of the QC laser of ca. 10 cm(-1) is sufficient to allow the spectra of both isotopologues to be recorded and the rapid and slow interactions with the laser radiation to be seen. The rapid passage effects are enhanced by the use of an off axis Herriott cell with an effective path length of 62 m, which allows a buildup of polarization to occur. The effective resolution of the chirped QC laser is ca. 0.012 cm(-1) full width at half-maximum in the 1625 cm(-1) region. The results of these experiments are compared with those of other studies of the ν4 band of ammonia carried out using Fourier transform and Laser Stark spectroscopy. They also demonstrate the versatility of the down chirped QC laser for investigating collisional effects in low pressure gases using long absorbing path lengths.

  16. Photographic spectra of fireballs

    NASA Astrophysics Data System (ADS)

    Borovička, J.

    2016-01-01

    Two methods of spectroscopy of meteors using image intensified video cameras and classical photographic film cameras are compared. Video cameras provide large number of low resolution spectra of meteors of normal brightness, which can be used for statistical studies. Large format film cameras have been used through the history and provide high resolution spectra, which can be used to derive temperature, density and absolute abundances of various elements in the radiating plasma. The sensitivity of films is, however, low and only spectra of bright meteors (fireballs) can be studied. Examples of photographic fireball spectra are provided.

  17. Spectra of stable sonoluminescence

    NASA Astrophysics Data System (ADS)

    Lewis, Stephen D.

    1992-12-01

    The continuous emission of picosecond pulses of light has been observed to originate from a bubble trapped at the pressure antinode of a resonant sound field in water and in water/glycerin mixtures. The spectra of this light in several solutions has been measured with a scanning monochrometer/photomultiplier detector system. The spectra are broadband and show strong emission in the UV region. A comparison of this measurement to two other independently produced spectra is made. The spectra are also modeled by a blackbody radiation distribution to determine an effective blackbody temperature and a size is deduced as if Sonoluminescence were characterized by blackbody radiation.

  18. Crack spectra analysis

    SciTech Connect

    Tiernan, M.

    1980-09-01

    Crack spectra derived from velocity data have been shown to exhibit systematics which reflect microstructural and textural differences between samples (Warren and Tiernan, 1980). Further research into both properties and information content of crack spectra have yielded the following: Spectral features are reproducible even at low pressures; certain observed spectral features may correspond to non-in-situ crack populations created during sample retrieval; the functional form of a crack spectra may be diagnostic of the sample's grain texture; hysteresis is observed in crack spectra between up and down pressure runs - it may be due to friction between the faces of closed crack populations.

  19. [Line intensities of upsilon2 perpendicular band and the change of intensities with temperature for H12C14N].

    PubMed

    Song, Xiao-Shu; Cheng, Xin-Lu; Yang, Xiang-Dong; Li, De-Hua; Ge, Su-Hong

    2008-04-01

    The total internal partition sums (TIPS) were calculated for H12C14N with the product approximation. For rotational partition sums Q(rot), the centrifugal distortion corrections were taken into account. The calculation method for the vibrational partition sums Q(vib) is the harmonic oscillator approximation. The line intensities of upsilon2 perpendicular band (0110-0000 transition) of H12C14N were calculated at normal temperatures and several high temperatures by using the calculated partition functions and experimental transition moment squared and Herman-Waills factor coefficients. Results showed that our line intensities data at 296 and 3 000 K are in excellent agreement with the data in HITRAN, which provide a strong support for the calculations of partition function and line intensity at high temperature. Thereby, the line intensities and spectral simulations of upsilon2 perpendicular band at the higher temperatures 4 000 and 5 000 K were presented and the chang in line intensities with the temperature was discussed. For those transitions corresponding to rotational quantum number J > or = 32 (including P, Q and R branch), the line intensities increase when temperature gradually increase from 296 K. The line intensities are up to the largest at around 1000 K and then weaken rapidly. For J < 32 (also including P, Q and R branch), the line intensities are the largest at 296 K and then weaken rapidly as temperature gradually increase. PMID:18619284

  20. The {sup 14}N(p,{gamma}){sup 15}O reaction studied with a composite germanium detector

    SciTech Connect

    Marta, M.; Bemmerer, D.; Formicola, A.; Gustavino, C.; Junker, M.; Broggini, C.; Menegazzo, R.; Rossi Alvarez, C.; Caciolli, A.; Corvisiero, P.; Costantini, H.; Lemut, A.; Prati, P.; Elekes, Z.; Fueloep, Zs.; Gyuerky, Gy.; Somorjai, E.; Gervino, G.; Guglielmetti, A.; Mazzocchi, C.

    2011-04-15

    The rate of the carbon-nitrogen-oxygen (CNO) cycle of hydrogen burning is controlled by the {sup 14}N(p,{gamma}){sup 15}O reaction. The reaction proceeds by capture to the ground states and several excited states in {sup 15}O. In order to obtain a reliable extrapolation of the excitation curve to astrophysical energy, fits in the R-matrix framework are needed. In an energy range that sensitively tests such fits, new cross-section data are reported here for the four major transitions in the {sup 14}N(p,{gamma}){sup 15}O reaction. The experiment has been performed at the Laboratory for Underground Nuclear Astrophysics (LUNA) 400-kV accelerator placed deep underground in the Gran Sasso facility in Italy. Using a composite germanium detector, summing corrections have been considerably reduced with respect to previous studies. The cross sections for capture to the ground state and to the 5181, 6172, and 6792 keV excited states in {sup 15}O have been determined at 359, 380, and 399 keV beam energy. In addition, the branching ratios for the decay of the 278-keV resonance have been remeasured.

  1. A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR parameters and QTAIM analysis.

    PubMed

    Astani, Elahe K; Heshmati, Emran; Chen, Chun-Jung; Hadipour, Nasser L

    2016-07-01

    A theoretical study at the level of density functional theory (DFT) was performed to characterize noncovalent intermolecular interactions, especially hydrogen bond interactions, in the active site of enzyme human androsterone sulphotransferase (SULT2A1/ADT). Geometry optimization, interaction energy, (2)H, (14)N, and (17)O electric field gradient (EFG) tensors, (1)H, (13)C, (17)O, and (15)N chemical shielding (CS) tensors, Natural Bonding Orbital (NBO) analysis, and quantum theory of atoms in molecules (QTAIM) analysis of this active site were investigated. It was found that androsterone (ADT) is able to form hydrogen bonds with residues Ser80, Ile82, and His99 of the active site. The interaction energy calculations and NBO analysis revealed that the ADT molecule forms the strongest hydrogen bond with Ser80. Results revealed that ADT interacts with the other residues through electrostatic and Van der Waals interactions. Results showed that these hydrogen bonds influence on the calculated (2)H, (14)N, and (17)O quadrupole coupling constants (QCCs), as well as (1)H, (13)C, (17)O, and (15)N CS tensors. The magnitude of the QCC and CS changes at each nucleus depends directly on its amount of contribution to the hydrogen bond interaction. PMID:27337388

  2. Isolated versus Condensed Anion Structure II; the Influence of the Cations (1,3-propanediammonium, 1,4-phenylendiammonium, and n-propylammonium) on Structures and Phase Transitions of CdBr2-4Salts A 79,81Br NQR and X-ray Structure Analysis

    NASA Astrophysics Data System (ADS)

    Ishihara, Hideta; Dou, Shi-qi; Horiuchi, Keizo; Krishnan, V. G.; Paulus, Helmut; Fuess, Hartmut; Weiss, Alarich

    1996-12-01

    The influence of the cations on the condensation of anions CdBr42- in salts (A')CdBr4 (II) and (A)2CdBr4 (II) is studied by 79,81Br NQR and X-ray crystal structure determinations. (A')CdBr4 : A' = [H3N(CH2)3NH3]2+ (1) crystallizes with a layer-type anion structure at 298 K and A' = [1,4-(H3N)2C6H4]2+ (2) crystallizes with a chain-type anion structure at 298 K. (A)2 CdBr4 : A = [n-H3C(CH2)2NH3]+ (3) crystallizes with a layer-type anion structure at 293 K. (1) shows successive phase transitions at 328, 363, and 495 K according to the NQR and DSC measurements. Phase IV of (1): at 298 K orthorhombic, Pnma, Z = 4,a = 772.1 (4), b = 1905.4(9), c = 789.8(4) pm. 81Br NQR spectrum showed a doublet at 77 K (phase IV) with ν1= 61.177 and ν2 = 45.934 MHz and also a doublet at 350 K (phase III) with ν1= 57.581 and ν2 = 48.747 MHz. (2): at 295 K orthorhombic, Pnma, Z = 4, a = 802.5(3), b = 1775.1(6), c = 881.9(3) pm; the five-coordinated Cd atom and one-dimensional [CdBr4]2- anion chain structure was observed. This coordination and chain structure are very rare for (A')CdX4 (II) or (A)2CdX4 (II). Two 81Br NQR lines were observed at 77 K: ν1= 70.159 and ν3 = 40.056 MHz. One more line appeared at 85 K: ν2 = 53.622 MHz. A 81Br NQR triplet was observed at 273 K: ν1 = 67.919, ν2 = 56.317, and ν3 = 40.907 MHz. (3) shows successive phase transitions at 121, 135, 165, and 208 K according to the NQR, DSC, and DTA measurements. Phase I of (3): at 293 K orthorhombic, Cmca, Z = 4, a = 783.4(4), b = 2480.2(10), c = 806.5(4) pm. 81Br NQR doublet was observed at 77 K (phase V) and at 300 K (Phase I) with ν1 = 61.060 and ν2 = 54.098 MHz (77 K); v1 = 55.835 and ν2 = 55.964 MHz (373 K). No NQR line could be observed in phases II, III, and IV.

  3. Action spectra again?

    PubMed

    Coohill, T P

    1991-11-01

    Action spectroscopy has a long history and is of central importance to photobiological studies. Action spectra were among the first assays to point to chlorophyll as the molecule most responsible for plant growth and to DNA as the genetic material. It is useful to construct action spectra early in the investigation of new areas of photobiological research in an attempt to determine the wavelength limits of the radiation region causing the studied response. But due to the severe absorption of ultraviolet (UV) radiation by biological samples, UV action spectra were first limited to small cells (bacteria and fungi). Advances in techniques (e.g. single cell culture) and analysis allowed accurate action spectra to be reported even for mammalian cells. But precise analytical action spectra are often difficult to obtain when large, pigmented, or groups of cells are investigated. Here some action spectra are limited in interpretation and merely supply a wavelength vs effect curve. When polychromatic sources are employed, the interpretation of action spectra is even more complex and formidable. But such polychromatic action spectra can be more directly related to ambient responses. Since precise action spectra usually require the completion of a relatively large number of careful experiments using somewhat sophisticated equipment over a range of at least six wavelengths, they are often not pursued. But they remain central to the elucidation of the effect being studied. The worldwide community has agreed that stratospheric ozone is depleting, with the possibility of a consequent rise in the amount of UV-B (290-320 nm) reaching the earth's surface. It is therefore essential that new action spectra be completed for UV-B effects on a large variety of responses of human, animal, and aquatic plant systems. Combining these action spectra with the known amounts of UV-B reaching the biosphere can give rise to solar UV effectiveness spectra that, in turn, can give rise to estimates

  4. Lily Pad Spectra

    NASA Technical Reports Server (NTRS)

    2004-01-01

    The color image on the lower left from the panoramic camera on the Mars Exploration Rover Opportunity shows the 'Lily Pad' bounce-mark area at Meridiani Planum, Mars. This image was acquired on the 3rd sol, or martian day, of Opportunity's mission (Jan.26, 2004). The upper left image is a monochrome (single filter) image from the rover's panoramic camera, showing regions from which spectra were extracted from the 'Lily Pad' area. As noted by the line graph on the right, the green spectra is from the undisturbed surface and the red spectra is from the airbag bounce mark.

  5. Cross sections for n+{sup 14}N from an R-matrix analysis of the {sup 15}N system

    SciTech Connect

    Hale, G.M.; Young, P.G.; Chadwick, M.B.

    1994-06-01

    As part of the Hiroshima-Nagasaki Dose Reevaluation Program, a new evaluation of the neutron cross sections for {sup 14}N was made for ENDF/B-VI, based at energies below 2.5 MeV on a multichannel R-matrix analysis of reactions in the {sup 15}N system. The types of data used in the analysis, and the resulting cross sections and resonance structure for {sup 15}N are briefly described. The resonant features of the neutron cross sections were especially well determined by including precise, high-resolution neutron total cross section measurements from ORNL. While the new evaluated cross section appear to be significant improvements over the earlier ones, they still need to be tested more extensively against recent measurements of the differential elastic cross section from Oak Ridge.

  6. Thermodynamic analysis of spectra

    SciTech Connect

    Mitchell, G. E.; Shriner, J. F. Jr.

    2008-04-04

    Although random matrix theory had its initial application to neutron resonances, there is a relative scarcity of suitable nuclear data. The primary reason for this is the sensitivity of the standard measures used to evaluate spectra--the spectra must be essential pure (no state with a different symmetry) and complete (no states missing). Additional measures that are less sensitive to these experimental limitations are of significant value. The standard measure for long range order is the {delta}{sub 3} statistic. In the original paper that introduced this statistic, Dyson and Mehta also attempted to evaluate spectra with thermodynamic variables obtained from the circular orthogonal ensemble. We consider the thermodynamic 'internal energy' and evaluate its sensitivity to experimental limitations such as missing and spurious levels. Monte Carlo simulations suggest that the internal energy is less sensitive to mistakes than is {delta}{sub 3}, and thus the internal energy can serve as a addition to the tool kit for evaluating experimental spectra.

  7. THM determination of the 65 keV resonance strength intervening in the {sup 17}O(p,α){sup 14}N reaction rate

    SciTech Connect

    Sergi, M. L.; La Cognata, M.; Pizzone, R. G.; Spitaleri, C.; Cherubini, S.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S.; Burjan, S. V.; Hons, Z.; Kroha, V.; Coc, A.; Hammache, F.; Irgaziev, B.; Kiss, G. G.; Somorjai, E.; Lamia, L.; Mukhamedzhanov, A.; and others

    2015-02-24

    The {sup 17}O(p,α){sup 14}N reaction is of paramount importance for the nucleosynthesis in a number of stellar sites, including red giants (RG), asymptotic giant branch (AGB) stars, massive stars and classical novae. We report on the indirect study of the {sup 17}O(p,α){sup 14}N reaction via the Trojan Horse Method by applying the approach recently developed for extracting the resonance strength of the narrow resonance at E{sub c.m.}{sup R} = 65 keV (E{sub X} =5.673 MeV). The strength of the 65 keV resonance in the {sup 17}O(p,α){sup 14}N reaction, measured by means of the THM, has been used to renormalize the corresponding resonance strength in the {sup 17}O+p radiative capture channel.

  8. Resonance strengths in the {sup 14}N(p,gamma){sup 15}O and {sup 15}N(p,alphagamma){sup 12}C reactions

    SciTech Connect

    Marta, Michele; Trompler, Erik; Bemmerer, Daniel; Beyer, Roland; Grosse, Eckart; Hannaske, Roland; Junghans, Arnd R.; Nair, Chithra; Schwengner, Ronald; Wagner, Andreas; Yakorev, Dmitry; Broggini, Carlo; Caciolli, Antonio; Erhard, Martin; Menegazzo, Roberto; Fueloep, Zsolt; Gyuerky, Gyoergy; Szuecs, Tamas; Vezzu, Simone

    2010-05-15

    The {sup 14}N(p,gamma){sup 15}O reaction is the slowest reaction of the carbon-nitrogen-oxygen cycle of hydrogen burning in stars. As a consequence, it determines the rate of the cycle. The {sup 15}N(p,alphagamma){sup 12}C reaction is frequently used in inverse kinematics for hydrogen depth profiling in materials. The {sup 14}N(p,gamma){sup 15}O and {sup 15}N(p,alphagamma){sup 12}C reactions have been studied simultaneously, using titanium nitride targets of natural isotopic composition and a proton beam. The strengths of the resonances at E{sub p} = 1058 keV in {sup 14}N(p,gamma){sup 15}O and at E{sub p} = 897 and 430 keV in {sup 15}N(p,alphagamma){sup 12}C have been determined with improved precision, relative to the well-known resonance at E{sub p} = 278 keV in {sup 14}N(p,gamma){sup 15}O. The new recommended values are omegagamma=0.353+-0.018, 362+-20, and 21.9+-1.0 eV for their respective strengths. In addition, the branching ratios for the decay of the E{sub p} = 1058 keV resonance in {sup 14}N(p,gamma){sup 15}O have been redetermined. The data reported here should facilitate future studies of off-resonant capture in the {sup 14}N(p,gamma){sup 15}O reaction that are needed for an improved R-matrix extrapolation of the cross section. In addition, the data on the 430 keV resonance in {sup 15}N(p,alphagamma){sup 12}C may be useful for hydrogen depth profiling.

  9. 15N/14N Variation in CalCOFI Zooplankton: A 51 year history of Marine Nitrogen Dynamics and Climate Variability off Central California

    NASA Astrophysics Data System (ADS)

    Rau, G. H.; Ohman, M. D.; Pierrot-Bults, A.

    2003-12-01

    Long-term variability in marine zooplankton 15N/14N was investigated in two species of calanoid copepods (Calanus pacificus and Eucalanus californicus) and two chaetognaths (Sagitta bierii and Sagitta euneritica) sampled in the spring of selected years from 1951 to 2001 near Monterey Bay, California. No statistically significant trend in 15N/14N was detected for any of the four species, with isotopic ratios in 2001 resembling those in copepods and chaetognaths sampled from the same area five decades earlier. With respect to proposed oceanographic regime shifts in this region, heterogeneity in 15N/14N was detected only for S. bierii when comparing the periods 1951-1975, 1978-1998, and 1999-2001. In this species the 15N/14N in the most recent, brief period (1999-2001) averaged slightly lower than in the previous period. Three of the four species (C. pacificus, S. bierii, and S. euneritica) showed significant increases in 15N/14N during major El Ninos. El Nino-related enrichment in 15N could arise as a consequence of increased nitrate demand/supply at the base of the food web or advection of 15N-enriched nitrate from more southerly waters. While a range of physical and climate indices were evaluated, anomalies of 15N/14N from the long-term mean were found to be significantly related only to; i) the Southern Oscillation Index in the case of both chaetognath species, ii) a regional surface water temperature record (S. bierii only), iii) an index of wind-driven coastal upwelling for the surface-dwelling C. pacificus, and iv) variability in the Pacific Decadal Oscillation for the somewhat deeper-dwelling E. californicus.

  10. Measurements of 12C/13C, 14N/15N, and 32S/34S ratios in comet Hale-Bopp (C/1995 O1).

    PubMed

    Jewitt, D C; Matthews, H E; Owen, T; Meier, R

    1997-10-01

    The 12C/13C, 14N/15N, and 32S/34S isotope ratios in comet Hale-Bopp (C/1995 O1) were determined through observations taken with the James Clerk Maxwell Telescope. Measurements of rare isotopes in HCN and CS revealed isotope ratios of H12CN/H13CN = 111 +/- 12, HC14N/HC15N = 323 +/- 46, and C32S/C34S = 27 +/- 3. Within the measurement uncertainties, the isotopic ratios are consistent with solar system values. The cometary volatiles thus have an origin in the solar system and show no evidence for an interstellar component.

  11. Differentiation of Pigment in Eggs Using Carbon ((13)C/(12)C) and Nitrogen ((15)N/(14)N) Stable Isotopes.

    PubMed

    Sun, Feng M; Shi, Guang Y; Wang, Hui W

    2016-07-01

    Consumers prefer natural and healthy food, but artificial pigments are often abused in egg products. The study aimed at differentiating the origin of pigments in eggs by applying the technique of carbon ((13)C/(12)C) and nitrogen ((15)N/(14)N) stable isotope analysis. Five hundred sixty laying hens were randomly distributed into 14 treatments, which were divided into four groups: maize, carophyll red pigment, carophyll yellow pigment, and a mixture of carophyll red and yellow pigments. Eggs were collected and pretreated to determe the values of the Roche Yolk Color Fan (RCF), δ(13)C, and δ(15)N. With increasing maize content, the RCF and δ(13)C values of yolks increased. Moreover, the RCF values in the three pigment groups were significantly influenced by the artificial colors, but δ(13)C values were not significantly different, regardless of the existence of pigment. The δ(15)N values in all treatments did not vary as regularly as the carbon stable isotope. A strong positive correlation was found between RCF and δ(13)C in the maize group, but no such correlation was be observed in the pigment groups. It is concluded that carbon stable isotope ratio analysis (δ(13)C) of the yolk can be used to differentiate the origin of the pigment added to eggs. PMID:27302905

  12. Radiative Neutron Capture on 9Be, 14C, 14N, 15N and 16O at Thermal and Astrophysical Energies

    NASA Astrophysics Data System (ADS)

    Dubovichenko, Sergey; Dzhazairov-Kakhramanov, Albert; Afanasyeva, Nadezhda

    2013-10-01

    The total cross-sections of the radiative neutron capture processes on 9Be, 14C, 14N, 15N and 16O are described in the framework of the modified potential cluster model with the classification of orbital states according to Young tableaux. The continued interest in the study of these reactions is due, on the one hand, to the important role played by this process in the analysis of many fundamental properties of nuclei and nuclear reactions, and, on the other hand, to the wide use of the capture cross-section data in the various applications of nuclear physics and nuclear astrophysics, and, also, to the importance of the analysis of primordial nucleosynthesis in the Universe. This article is devoted to the description of results for the processes of the radiative neutron capture on certain light atomic nuclei at thermal and astrophysical energies. The considered capture reactions are not part of stellar thermonuclear cycles, but involve in the reaction chains of inhomogeneous Big Bang models.

  13. First direct measurement of the 11C (α ,p )14N stellar reaction by an extended thick-target method

    NASA Astrophysics Data System (ADS)

    Hayakawa, S.; Kubono, S.; Kahl, D.; Yamaguchi, H.; Binh, D. N.; Hashimoto, T.; Wakabayashi, Y.; He, J. J.; Iwasa, N.; Kato, S.; Komatsubara, T.; Kwon, Y. K.; Teranishi, T.

    2016-06-01

    The 11C(α,p ) 14N reaction is an important α -induced reaction competing with β -limited hydrogen-burning processes in high-temperature explosive stars. We directly measured its reaction cross sections both for the ground-state transition (α ,p0) and the excited-state transitions (α ,p1) and (α ,p2) at relevant stellar energies 1.3-4.5 MeV by an extended thick-target method featuring time of flight for the first time. We revised the reaction rate by numerical integration including the (α ,p1) and (α ,p2) contributions and also low-lying resonances of (α ,p0) using both the present and the previous experimental data which were totally neglected in the previous compilation works. The present total reaction rate lies between the previous (α ,p0) rate and the total rate of the Hauser-Feshbach statistical model calculation, which is consistent with the relevant explosive hydrogen-burning scenarios such as the ν p process.

  14. Measurement of the Erc .m .=259 keV resonance in the 14N(p ,γ )15O reaction

    NASA Astrophysics Data System (ADS)

    Daigle, S.; Kelly, K. J.; Champagne, A. E.; Buckner, M. Q.; Iliadis, C.; Howard, C.

    2016-08-01

    The 14N(p ,γ )15O reaction regulates the power generated by the CN cycle and thus impacts the structure and evolution of every star at some point in its life. The lowest positive-energy resonance in this reaction is located at Erc .m .=259 keV, too high in energy to strongly influence quiescent stellar burning. However, the strength of this resonance is used as a cross-section normalization for lower-energy measurements of this reaction. We report on new measurements of the energy, strength, and γ -ray branching ratios for the 259-keV resonance, using different detection and data-analysis schemes. We have also reevaluated previous results, where possible. Our new recommended strength of ω γ =12.6 (3 ) meV is in agreement with the previous value of 13.1(6) meV, but is more precise and thus provides a more reliable normalization for low-energy (p ,γ ) measurements.

  15. INVESTIGATION OF MOLECULAR CLOUD STRUCTURE AROUND INFRARED BUBBLES: CARMA OBSERVATIONS OF N14, N22, AND N74

    SciTech Connect

    Sherman, Reid A.

    2012-11-20

    We present CARMA observations in 3.3 mm continuum and several molecular lines of the surroundings of N14, N22, and N74, three infrared bubbles from the GLIMPSE catalog. We have discovered 28 compact continuum sources and confirmed their associations with the bubbles using velocity information from HCO{sup +} and HCN. We have also mapped small-scale structures of N{sub 2}H{sup +} emission in the vicinity of the bubbles. By combining our data with survey data from GLIMPSE, MIPSGAL, BGPS, and MAGPIS, we establish about half of our continuum sources as star-forming cores. We also use survey data with the velocity information from our molecular line observations to describe the morphology of the bubbles and the nature of the fragmentation. We conclude from the properties of the continuum sources that N74 likely is at the near kinematic distance, which was previously unconfirmed. We also present tentative evidence of molecular clouds being more fragmented on bubble rims compared to dark clouds, suggesting that triggered star formation may occur, though our findings do not conform to a classic collect-and-collapse model.

  16. 15N/14N variations in Cretaceous Atlantic sedimentary sequences: implication for past changes in marine nitrogen biogeochemistry

    USGS Publications Warehouse

    Rau, G.H.; Arthur, M.A.; Dean, W.E.

    1987-01-01

    At two locations in the Atlantic Ocean (DSDP Sites 367 and 530) early to middle Cretaceous organic-carbon-rich beds ("black shales") were found to have significantly lower ??15N values (lower 15N/14N ratios) than adjacent organic-carbon-poor beds (white limestones or green claystones). While these lithologies are of marine origin, the black strata in particular have ??15N values that are significantly lower than those previously found in the marine sediment record and most contemporary marine nitrogen pools. In contrast, black, organic-carbon-rich beds at a third site (DSDP Site 603) contain predominantly terrestrial organic matter and have C- and N-isotopic compositions similar to organic matter of modern terrestrial origin. The recurring 15N depletion in the marine-derived Cretaceous sequences prove that the nitrogen they contain is the end result of an episodic and atypical biogeochemistry. Existing isotopic and other data indicate that the low 15N relative abundance is the consequence of pelagic rather than post-depositional processes. Reduced ocean circulation, increased denitrification, and, hence, reduced euphotic zone nitrate availability may have led to Cretaceous phytoplankton assemblages that were periodically dominated by N2-fixing blue-green algae, a possible source of this sediment 15N-depletion. Lack of parallel isotopic shifts in Cretaceous terrestrially-derived nitrogen (Site 603) argues that the above change in nitrogen cycling during this period did not extend beyond the marine environment. ?? 1987.

  17. Differentiation of Pigment in Eggs Using Carbon ((13)C/(12)C) and Nitrogen ((15)N/(14)N) Stable Isotopes.

    PubMed

    Sun, Feng M; Shi, Guang Y; Wang, Hui W

    2016-07-01

    Consumers prefer natural and healthy food, but artificial pigments are often abused in egg products. The study aimed at differentiating the origin of pigments in eggs by applying the technique of carbon ((13)C/(12)C) and nitrogen ((15)N/(14)N) stable isotope analysis. Five hundred sixty laying hens were randomly distributed into 14 treatments, which were divided into four groups: maize, carophyll red pigment, carophyll yellow pigment, and a mixture of carophyll red and yellow pigments. Eggs were collected and pretreated to determe the values of the Roche Yolk Color Fan (RCF), δ(13)C, and δ(15)N. With increasing maize content, the RCF and δ(13)C values of yolks increased. Moreover, the RCF values in the three pigment groups were significantly influenced by the artificial colors, but δ(13)C values were not significantly different, regardless of the existence of pigment. The δ(15)N values in all treatments did not vary as regularly as the carbon stable isotope. A strong positive correlation was found between RCF and δ(13)C in the maize group, but no such correlation was be observed in the pigment groups. It is concluded that carbon stable isotope ratio analysis (δ(13)C) of the yolk can be used to differentiate the origin of the pigment added to eggs.

  18. Monte Carlo assessment of soil moisture effect on high-energy thermal neutron capture gamma-ray by 14N.

    PubMed

    Pazirandeh, Ali; Azizi, Maryam; Farhad Masoudi, S

    2006-01-01

    Among many conventional techniques, nuclear techniques have shown to be faster, more reliable, and more effective in detecting explosives. In the present work, neutrons from a 5 Ci Am-Be neutron source being in water tank are captured by elements of soil and landmine (TNT), namely (14)N, H, C, and O. The prompt capture gamma-ray spectrum taken by a NaI (Tl) scintillation detector indicates the characteristic photo peaks of the elements in soil and landmine. In the high-energy region of the gamma-ray spectrum, besides 10.829 MeV of (15)N, single escape (SE) and double escape (DE) peaks are unmistakable photo peaks, which make the detection of concealed explosive possible. The soil has the property of moderating neutrons as well as diffusing the thermal neutron flux. Among many elements in soil, silicon is more abundant and (29)Si emits 10.607 MeV prompt capture gamma-ray, which makes 10.829 MeV detection difficult. The Monte Carlo simulation was used to adjust source-target-detector distances and soil moisture content to yield the best result. Therefore, we applied MCNP4C for configuration very close to reality of a hidden landmine in soil.

  19. Atomic Spectra Database (ASD)

    National Institute of Standards and Technology Data Gateway

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  20. Genome Sequence of a Novel H14N7 Subtype Influenza A Virus Isolated from a Blue-Winged Teal (Anas discors) Harvested in Texas, USA

    PubMed Central

    Reeves, Andrew B.; Poulson, Rebecca L.; Carter, Deborah L.; Davis-Fields, Nicholas; Stallknecht, David E.

    2016-01-01

    We report here the complete genome sequence of a novel H14N7 subtype influenza A virus (IAV) isolated from a blue-winged teal (Anas discors) harvested in Texas, USA. The genomic characteristics of this IAV strain with a previously undetected subtype combination suggest recent viral evolution within the New World wild-bird IAV reservoir. PMID:27284136

  1. Calculating (14)N(16)O2 spectral line parameters in an infrared range: A comparison of "global" and "local" effective operator methods.

    PubMed

    Voitsekhovskaya, O K; Egorov, O V; Kashirskii, D E

    2016-08-01

    Nitrogen dioxide, (14)N(16)O2, line positions and intensities calculated by us based on a "local" effective operator method are compared to the recent results of the "global" calculation. The comparison was made for theoretical absorption coefficients in the spectral range of 600-3700cm(-1) using the measured data taken from the Pacific Northwest National Laboratory. In order to conduct the calculations, empirical parameters of the effective rotational Hamiltonian of the twenty-one vibrational states were applied from the most recent experimental works. The second order parameters of the dipole moment function of (14)N(16)O2 were determined for the first time. The "local" line list in this research consists of one hundred and four bands and includes the line intensities of the v1+v2+v3 band of (14)N(16)O2 that have not yet been investigated in the literature. Among these bands, only eleven bands are included in HITRAN2012. The reasons behind the disagreements between the theoretical and measured absorption coefficients of (14)N(16)O2 are discussed. PMID:27111152

  2. Calculating 14N16O2 spectral line parameters in an infrared range: A comparison of "global" and "local" effective operator methods

    NASA Astrophysics Data System (ADS)

    Voitsekhovskaya, O. K.; Egorov, O. V.; Kashirskii, D. E.

    2016-08-01

    Nitrogen dioxide, 14N16O2, line positions and intensities calculated by us based on a "local" effective operator method are compared to the recent results of the "global" calculation. The comparison was made for theoretical absorption coefficients in the spectral range of 600-3700 cm- 1 using the measured data taken from the Pacific Northwest National Laboratory. In order to conduct the calculations, empirical parameters of the effective rotational Hamiltonian of the twenty-one vibrational states were applied from the most recent experimental works. The second order parameters of the dipole moment function of 14N16O2 were determined for the first time. The "local" line list in this research consists of one hundred and four bands and includes the line intensities of the v1 + v2 + v3 band of 14N16O2 that have not yet been investigated in the literature. Among these bands, only eleven bands are included in HITRAN2012. The reasons behind the disagreements between the theoretical and measured absorption coefficients of 14N16O2 are discussed.

  3. Linking nitrogen dynamics to climate variability off central California: a 51 year record based on 15N/ 14N in CalCOFI zooplankton

    NASA Astrophysics Data System (ADS)

    Rau, Greg H.; Ohman, Mark D.; Pierrot-Bults, Annelies

    2003-08-01

    Long-term variability in zooplankton 15N/ 14N was investigated in two species of calanoid copepods ( Calanus pacificus and Eucalanus californicus) and two chaetognaths ( Sagitta bierii and Sagitta euneritica) sampled in the spring of selected years from 1951 to 2001 off the central California coast. No statistically significant trend in 15N/ 14N was detected for any of the four species, with isotopic ratios in 2001 resembling those in copepods and chaetognaths sampled five decades earlier. Zooplankton body lengths also showed no long-term trends. With respect to proposed regime shifts in this region, heterogeneity in 15N/ 14N was detected only for S. bierii when comparing the periods 1951-1975, 1978-1998, and 1999-2001. In this species the 15N/ 14N in the most recent, brief period (1999-2001) averaged slightly lower than in the previous period. Three of the four species ( C. pacificus, S. bierii, and S. euneritica) showed significant increases in 15N/ 14N during major El Niños. El Niño-related enrichment in 15N could arise as a consequence of increased nitrate demand:supply at the base of the food web or advection of 15N-enriched nitrate from more southerly waters. While a range of physical and climate indices were evaluated, anomalies of 15N/ 14N from the long-term mean were found to be significantly related only to: (i) the Southern Oscillation Index in the case of both chaetognath species, (ii) a regional surface water temperature record ( S. bierii only), (iii) an index of wind-driven coastal upwelling for the surface-dwelling C. pacificus, and (iv) variability in the Pacific Decadal Oscillation for the somewhat deeper-dwelling E. californicus. The relationships among each species' 15N/ 14N averaged over the total sampling period was: E. californicus≈C. pacificus≪S. euneritica < S. bierii, consistent with trophic 15N biomagnification and the predatory nature of Sagitta.

  4. Probing the Statistical Decay and α-clustering effects in 12C + 12C and 14N + 10B reactions

    NASA Astrophysics Data System (ADS)

    Morelli, L.; Baiocco, G.; D'Agostino, M.; Bruno, M.; Gulminelli, F.; Cinausero, M.; Degerlier, M.; Fabris, D.; Gramegna, F.; Marchi, T.; Barlini, S.; Bini, M.; Casini, G.; Gelli, N.; Lopez, A.; Pasquali, G.; Piantelli, S.; Valdrè, S.

    2014-03-01

    An experimental campaign has been undertaken at Laboratori Nazionali di Legnaro (LNL INFN), Italy, in order to progress in our understanding of the statistical properties of light nuclei at excitation energies above particle emission threshold, by measuring exclusive data from fusion-evaporation reactions. On the experimental side, a first reaction: 12C+12C at 95 MeV beam energy has been measured, using the GARFIELD + Ring Counter (RCo) apparatuses. Fusion-evaporation events have been exclusively selected out of the entire data set. The comparison to a dedicated Hauser-Feshbach calculation allows us to give constraints on the nuclear level density at high excitation energy for light systems ranging from C up to Mg. Out-of-equilibrium aα emission has been evidenced and attributed both to an entrance channel effect (favoured by the cluster nature of reaction partners), and, in more dissipative events, to the persistence of cluster correlations well above the 24Mg threshold for 6 α's decay. In order to study the same 24Mg compound nucleus at similar excitation energy with respect to this first reaction a new measurement, 14N + 10B at 5.7 A.MeV, was performed at LNL laboratories with the same experimental setup. The comparison between the two systems would allow us to further constrain the level density of light nuclei in the mass-excitation energy range of interest. In this perspective, deviations from a statistical behaviour can be used as a tool to get information on nuclear clustering, both in the ground-state for projectile and target and in the hot source formed in the collision.

  5. Discovery of singlet diradicals: theoretical study on the cage species C14N12-H6 and its six derivatives.

    PubMed

    Zhou, Hongwei; Wong, Ning-Bew; Lau, Kai-Chung; Tian, Anmin; Li, Wai-Kee

    2007-10-01

    In this work, the geometries, harmonic vibrational frequencies, and high-energy density material (HEDM) properties of a novel species and its six derivatives with the general formula C14N12-R6 (R = H, OH, F, CN, N3, NH2, and NO2) have been investigated at the restricted and unrestricted B3LYP/cc-pVDZ levels of theory. Natural bond orbital (NBO), natural orbital (NO), and atoms in molecules (AIM) analyses are applied to examine their electronic topologies. It is found that for the four species of R = H, CN, N3, and NO2, (1) there exist high LUMO occupation numbers, (2) there is considerable spin density congregated on the two central carbon atoms, (3) there exists through space interaction (or intramolecular interaction, which is one of the stabilizing factors of a diradicaloid) between the two central carbon atoms, (4) the distance (about 3 A) between the two central carbon atoms (as the apexes of two trigonal pyramids with their bases facing each other) is suitable and favorable for diradical formation. All the results support that these four species are diradicals or diradicaloids. Furthermore, the appreciable singlet-triplet energy gaps indicate that these four diradicals tend to have a singlet ground state. There is a moderate HOMO-LUMO gap (on the order of 1.5 to 2.1 eV) for these four species. These four singlet diradicals may be novel organic semiconductor materials or nonlinear optical materials. On the other hand, the remaining three species, with R = OH, F, and NH2, are not diradicaloids.

  6. FORMATION OF AN O-STAR CLUSTER BY HIERARCHICAL ACCRETION IN G20.08-0.14 N

    SciTech Connect

    Galvan-Madrid, Roberto; Keto, Eric; Zhang Qizhou; Ho, Paul T. P.; Kurtz, Stan; RodrIguez, Luis F.

    2009-12-01

    Spectral line and continuum observations of the ionized and molecular gas in G20.08-0.14 N explore the dynamics of accretion over a range of spatial scales in this massive star-forming region. Very Large Array (VLA) observations of NH{sub 3} at 4'' angular resolution show a large-scale (0.5 pc) molecular accretion flow around and into a star cluster with three small, bright H II regions. Higher resolution (0.''4) observations with the Submillimeter Array in hot core molecules (CH{sub 3}CN, OCS, and SO{sub 2}) and the VLA in NH{sub 3} show that the two brightest and smallest H II regions are themselves surrounded by smaller scale (0.05 pc) accretion flows. The axes of rotation of the large- and small-scale flows are aligned, and the timescale for the contraction of the cloud is short enough, 0.1 Myr, for the large-scale accretion flow to deliver significant mass to the smaller scales within the star formation timescale. The flow structure appears to be continuous and hierarchical from larger to smaller scales. Millimeter radio recombination line (RRL) observations at 0.''4 angular resolution indicate rotation and outflow of the ionized gas within the brightest H II region (A). The broad recombination lines and a continuum spectral energy distribution (SED) that rises continuously from cm to mm wavelengths, are both characteristic of the class of H II regions known as 'broad recombination line objects'. The SED indicates a density gradient inside this H II region, and the RRLs suggest supersonic flows. These observations are consistent with photoevaporation of the inner part of the rotationally flattened molecular accretion flow. We also report the serendipitous detection of a new NH{sub 3} (3,3) maser.

  7. Solving the Tautomeric Equilibrium of Purine Through the Analysis of the Complex Hyperfine Structure of the Four 14N Nuclei

    NASA Astrophysics Data System (ADS)

    Cocinero, Emilio J.; Uriarte, Iciar; Ecija, Patricia; Favero, Laura B.; Spada, Lorenzo; Calabrese, Camilla; Caminati, Walther

    2016-06-01

    Microwave spectroscopy has been restricted to the investigation of small molecules in the last years. However, with the advent of FTMW and CP-FTMW spectroscopies coupled with laser vaporization techniques it has turned into a very competitive methodology in the studies of moderate-size biomolecules. Here, we present the study of purine, characterized by two aromatic rings, one six- and one five-membered, fused together to give a planar aromatic bicycle. Biologically, it is the mainframe of two of the five nucleobases of DNA and RNA. Two tautomers were observed by FTMW spectroscopy coupled to UV ultrafast laser vaporization system. The population ratio of the two main tautomers [N(7)H]/[N(9)H] is about 1/40 in the gas phase. It contrasts with the solid state where only the N(7)H species is present, or in solution where a mixture of both tautomers is observed. For both species, a full quadrupolar hyperfine analysis has been performed. This has led to the determination of the full sets of diagonal quadrupole coupling constants of the four 14N atoms, which have provided crucial information for the unambiguous identification of both species. T. J. Balle and W. H. Flygare Rev. Sci. Instrum. 52, 33-45, 1981 J.-U. Grabow, W. Stahl and H. Dreizler Rev. Sci. Instrum. 67, 4072-4084, 1996 G. G. Brown, B. D. Dian, K. O. Douglass, S. M. Geyer, S. T. Shipman and B. H. Pate Rev. Sci. Instrum. 79, 0531031/1-053103/13, 2008 E. J. Cocinero, A. Lesarri, P. écija, F. J. Basterretxea, J. U. Grabow, J. A. Fernández and F. Castaño Angew. Chem. Int. Ed. 51, 3119-3124, 2012

  8. Parmeterization of spectra

    NASA Technical Reports Server (NTRS)

    Cornish, C. R.

    1983-01-01

    Following reception and analog to digital conversion (A/D) conversion, atmospheric radar backscatter echoes need to be processed so as to obtain desired information about atmospheric processes and to eliminate or minimize contaminating contributions from other sources. Various signal processing techniques have been implemented at mesosphere-stratosphere-troposphere (MST) radar facilities to estimate parameters of interest from received spectra. Such estimation techniques need to be both accurate and sufficiently efficient to be within the capabilities of the particular data-processing system. The various techniques used to parameterize the spectra of received signals are reviewed herein. Noise estimation, electromagnetic interference, data smoothing, correlation, and the Doppler effect are among the specific points addressed.

  9. Rock Outcrop Spectra

    NASA Technical Reports Server (NTRS)

    2004-01-01

    The color image on the lower left shows a rock outcrop at Meridiani Planum, Mars. This image was taken by the panoramic camera on the Mars Exploration Rover Opportunity, looking north, and was acquired on the 4th sol, or martian day, of the rover's mission (Jan. 27, 2004). The yellow box outlines an area detailed in the top left image, which is a monochrome (single filter) image from the rover's panoramic camera. The top image uses solid colors to show several regions on or near the rock outcrop from which spectra were extracted: the dark soil above the outcrop (yellow), the distant horizon surface (aqua), a bright rock in the outcrop (green), a darker rock in the outcrop (red), and a small dark cobblestone (blue). Spectra from these regions are shown in the plot to the right.

  10. Barnacle Bill Spectra

    NASA Technical Reports Server (NTRS)

    1997-01-01

    These IMP spectra show the characteristics of the rock surface measured by the Alpha Proton X-Ray Spectrometer (blue), the soil trapped in pits on the rock surface (red), and the deposit of bright drift on the top of the rock. The area measured by the APXS has the properties expected for nearly unweathered igneous rock, and the soil trapped in the pits is intermediate to the unweathered rock and the highly weathered drift material.

  11. IUE archived spectra

    NASA Technical Reports Server (NTRS)

    Sullivan, Edward C.; Bohlin, Ralph C.; Heap, Sara R.; West, Donald K.; Schmitz, Marion

    1988-01-01

    The International Ultraviolet Explorer (IUE) Satellite has been in continuous operation since January 26, 1978. To date, approximately 65,000 spectra have been stored in an archive at Goddard Space Flight Center in Greenbelt, MD. A number of procedures have been generated to facilitate access to the data in the IUE spectral archive. This document describes the procedures which include on-line quick look of the displays, search of an observation data base for selected observations, and several methods for ordering data from the archive.

  12. Meteors and meteorites spectra

    NASA Astrophysics Data System (ADS)

    Koukal, J.; Srba, J.; Gorková, S.; Lenža, L.; Ferus, M.; Civiš, S.; Knížek, A.; Kubelík, P.; Kaiserová, T.; Váňa, P.

    2016-01-01

    The main goal of our meteor spectroscopy project is to better understand the physical and chemical properties of meteoroids. Astrometric and spectral observations of real meteors are obtained via spectroscopic CCD video systems. Processed meteor data are inserted to the EDMOND database (European viDeo MeteOr Network Database) together with spectral information. The fully analyzed atmospheric trajectory, orbit and also spectra of a Leonid meteor/meteoroid captured in November 2015 are presented as an example. At the same time, our target is the systematization of spectroscopic emission lines for the comparative analysis of meteor spectra. Meteoroid plasma was simulated in a laboratory by laser ablation of meteorites samples using an (ArF) excimer laser and the LIDB (Laser Induced Dielectric Breakdown) in a low pressure atmosphere and various gases. The induced plasma emissions were simultaneously observed with the Echelle Spectrograph and the same CCD video spectral camera as used for real meteor registration. Measurements and analysis results for few selected meteorite samples are presented and discussed.

  13. First Infrared Spectra of Nitrous Oxide Pentamer

    NASA Astrophysics Data System (ADS)

    Rezaei, M.; Oliaee, J. Norooz; Moazzen-Ahmadi, N.; McKellar, A. R. W.

    2012-06-01

    High resolution spectra have previously been studied for N_2O dimers (two isomers), trimers (one isomer), and tetramers (two isomers). Here, we assign two new bands to the N_2O pentamer. The bands are observed in the region of the N_2O νb{1} fundamental using a tunable laser to probe a pulsed supersonic slit jet expansion. They are centered at 2233.9 and 2236.4 wn for 14N_2O, and at 2164.4 and 2166.8 wn for 15N_2O. Attribution to the pentamer is based on comparison of the observed rotational constants with theoretical ones from calculated cluster structures based on two rather different N_2O pair potentials. The first potential function is from a recent high level ab initio study. The second potential is a relatively simple empirical one, based partly on fitting to bulk properties. The likely pentamer structure is a completely unsymmetric one. It can be visualized starting with a highly symmetric oblate tetramer which is attacked by a fifth monomer, locating itself at a favorable distance and breaking the symmetry. Interestingly, analysis of the two bands yields very similar but not quite identical ground state parameters. We believe that they are due to distinct isomers having this same basic structure but differing in the orientation direction of one N_2O monomer. [1] R. Dawes, X.-G. Wang, A.W. Jasper, and T. Carrington, Jr., {J. Chem. Phys.} {133}, 134304 (2010). [2] B. Kutcha, R.D. Etters, and R. LeSar, {J. Chem. Phys.} {97}, 5662 (1992). [3] J.N. Oliaee, M. Dehghany, N. Moazzen-Ahmadi, and A.R.W. McKellar, {J. Chem. Phys.} {134}, 074310 (2011).

  14. {sup 4}He fragments from the {sup 14}N + {sup 12}C collision at 35 MeV/nucleon and clustering in colliding nuclei

    SciTech Connect

    Takemoto, H.; Horiuchi, H.; Engel, A.; Ono, A.

    1996-07-01

    In order to study effects of clustering of colliding nuclei in the fragmentation process, the fragmentation of the {sup 14}N+{sup 12}C reaction at 35 MeV/nucleon is analyzed by antisymmetrized molecular dynamics. It is found that {sup 4}He fragments from {sup 12}C fragmentation are much more abundant than those from {sup 14}N fragmentation. Characters of {sup 4}He fragments from {sup 12}C fragmentation are investigated and it is found that this abundance in {sup 12}C fragmentation results from the three-alpha breakup in a short time scale where the excited states with excitation energy 7{endash}15 MeV play an important role. {copyright} {ital 1996 The American Physical Society.}

  15. Experimental Study of 17O(p,{alpha})14N and 17O(p,{gamma})18F for Classical Nova Nucleosynthesis

    SciTech Connect

    Chafa, A.; Ouichaoui, S.; Tatischeff, V.; Coc, A.; Garrido, F.; Kiener, J.; Lefebvre-Schuhl, A.; Thibaud, J.-P.; Aguer, P.; Barhoumi, S.; Hernanz, M.; Jose, J.; Sereville, N. de

    2006-04-26

    We investigated the proton-capture reactions on 17O occurring in classical nova explosions. We observed a previously undiscovered resonance at E{sub R}{sup lab}=194.1{+-}0.6 keV in the 17O(p,{alpha})14N reaction, with a measured resonance strength {omega}{gamma}p{alpha}=1.6{+-}0.2 meV. We studied in the same experiment the 17O(p,{gamma})18F reaction by an activation method and the resonance-strength ratio was found to be {omega}{gamma}p{alpha}/{omega}{gamma}p{gamma}=470{+-}50. The corresponding excitation energy in the 18F compound nucleus was determined to be 5789.8{+-}0.3 keV by {gamma}-ray measurements using the 14N({alpha},{gamma})18F reaction. These new resonance properties have important consequences for 17O nucleosynthesis and {gamma}-ray astronomy of classical novae.

  16. Interactions of /sup 14/N:/sup 15/N stearic acid spin-label pairs: effects of host lipid alkyl chain length and unsaturation

    SciTech Connect

    Feix, J.B.; Yin, J.J.; Hyde, J.S.

    1987-06-30

    Electron-electron double resonance (ELDOR) and saturation recovery electron paramagnetic resonance (EPR) spectroscopy have been employed to examine the interactions of /sup 14/N:/sup 15/N stearic acid spin-label pairs in fluid-phase model membrane bilayers composed of a variety of phospholipids. The (/sup 14/N)-16-doxylstearate:(/sup 15/N)-16-doxylstearate (16:16) pair was utilized to measure lateral diffusion of the spin-labels, while the (/sup 14/N)-16-doxylstearate:(/sup 15/N)-5-doxylstearate (16:5) pair provided information on vertical fluctuations of the 16-doxylstearate nitroxide moiety toward the membrane surface. Three saturated host lipids of varying alkyl chain length (dimyristoylphosphatidylcholine (DMPC), dipalmitoylphosphatidylcholine (DPPC), and distearoylphosphatidylcholine (DSPC)), an ..cap alpha..-saturated, ..beta..-unsaturated lipid (1-palmitoyl-2-oleoylphosphatidylcholine (POPC)), and phosphatidylcholine from a natural source (egg yolk phosphatidylcholine (egg PC)) were utilized as host lipids. Lateral diffusion of the stearic acid spin-labels was only slightly affected by alkyl chain length at a given reduced temperature (T/sub r/) in the saturated host lipids but was significantly decreased in POPC at the same T/sub r/. Lateral diffusion in DMPC, POPC, and egg PC was quite similar at 37/sup 0/C. A strong correlation was noted between lateral diffusion constants and rotational mobility of (/sup 14/N)-16-doxylstearate. Vertical fluctuations were likewise only slightly influenced by alklyl chain length but were strongly diminished in POPC and egg PC relative to the saturated systems. This diminution of the 16:5 interaction was observed even under conditions where no differences were discernible by conventional EPR.

  17. Carbon-rich presolar grains from massive stars. Subsolar 12 C/ 13 C and 14 N/ 15 N ratios and the mystery of 15 N

    DOE PAGES

    Pignatari, M.; Zinner, E.; Hoppe, P.; Jordan, C. J.; Gibson, B. K.; Trappitsch, R.; Herwig, F.; Fryer, C.; Hirschi, R.; Timmes, F. X.

    2015-07-30

    We compared carbon-rich grains with isotopic anomalies to the Sun are found in primitive meteorites. They were made by stars, and carry the original stellar nucleosynthesis signature. Silicon carbide grains of Type X and C and low-density (LD) graphites condensed in the ejecta of core-collapse supernovae. Furthermore, we present a new set of models for the explosive He shell and compare them with the grains showing 12C/13C and 14N/15N ratios lower than solar. In the stellar progenitor H was ingested into the He shell and not fully destroyed before the explosion. All of the explosion energies and H concentrations aremore » considered. If the supernova shock hits the He-shell region with some H still present, the models can reproduce the C and N isotopic signatures in C-rich grains. Hot-CNO cycle isotopic signatures are obtained, including a large production of 13C and 15N. The short-lived radionuclides 22Na and 26Al are increased by orders of magnitude. The production of radiogenic 22Ne from the decay of 22Na in the He shell might solve the puzzle of the Ne-E(L) component in LD graphite grains. This scenario is attractive for the SiC grains of type AB with 14N/15N ratios lower than solar, and provides an alternative solution for SiC grains originally classified as nova grains. Finally, this process may contribute to the production of 14N and 15N in the Galaxy, helping to produce the 14N/15N ratio in the solar system.« less

  18. Direct measurement of the breakout reaction {sup 11}C({alpha},p){sup 14}N in explosive hydrogen-burning process

    SciTech Connect

    Hayakawa, S.; Kubono, S.; Kahl, D.; Yamaguchi, H.; Binh, Dam N.; Hashimoto, T.; Wakabayashi, Y.; He, J. J.; Iwasa, N.; Kato, S.; Komatsubara, T.; Kwon, Y. K.; Teranishi, T.; Wanajo, S.

    2012-11-12

    We determined the {sup 11}C({alpha},p){sup 14}N reaction rate relevant to the nucleosynthesis in explosive hydrogen-burning stars. The measurement was performed by means of the thick target method in inverse kinematics with {sup 11}C RI beams. We derived the excitation functions for the ground-state transition and excited-state transitions using time-of-flight information for the first time. The present reaction rate is compared to the previous one.

  19. Genome sequence of a novel H14N7 subtype influenza A virus isolated from a blue-winged teal (Anas discors) harvested in Texas, USA

    USGS Publications Warehouse

    Ramey, Andy M.; Reeves, Andrew; Poulson, Rebecca L.; Carter, Deborah L.; Davis-Fields, Nicholas; Stallknecht, David E.

    2016-01-01

    We report here the complete genome sequence of a novel H14N7 subtype influenza A virus (IAV) isolated from a blue-winged teal (Anas discors) harvested in Texas, USA. The genomic characteristics of this IAV strain with a previously undetected subtype combination suggest recent viral evolution within the New World wild-bird IAV reservoir.                   

  20. Carbon-rich Presolar Grains from Massive Stars: Subsolar 12C/13C and 14N/15N Ratios and the Mystery of 15N

    NASA Astrophysics Data System (ADS)

    Pignatari, M.; Zinner, E.; Hoppe, P.; Jordan, C. J.; Gibson, B. K.; Trappitsch, R.; Herwig, F.; Fryer, C.; Hirschi, R.; Timmes, F. X.

    2015-08-01

    Carbon-rich grains with isotopic anomalies compared to the Sun are found in primitive meteorites. They were made by stars, and carry the original stellar nucleosynthesis signature. Silicon carbide grains of Type X and C and low-density (LD) graphites condensed in the ejecta of core-collapse supernovae. We present a new set of models for the explosive He shell and compare them with the grains showing 12C/13C and 14N/15N ratios lower than solar. In the stellar progenitor H was ingested into the He shell and not fully destroyed before the explosion. Different explosion energies and H concentrations are considered. If the supernova shock hits the He-shell region with some H still present, the models can reproduce the C and N isotopic signatures in C-rich grains. Hot-CNO cycle isotopic signatures are obtained, including a large production of 13C and 15N. The short-lived radionuclides 22Na and 26Al are increased by orders of magnitude. The production of radiogenic 22Ne from the decay of 22Na in the He shell might solve the puzzle of the Ne-E(L) component in LD graphite grains. This scenario is attractive for the SiC grains of type AB with 14N/15N ratios lower than solar, and provides an alternative solution for SiC grains originally classified as nova grains. Finally, this process may contribute to the production of 14N and 15N in the Galaxy, helping to produce the 14N/15N ratio in the solar system.

  1. Direct measurement of the {sup 11}C({alpha},p){sup 14}N reaction at CRIB: A path from pp-chain to CNO

    SciTech Connect

    Hayakawa, S.; Kubono, S.; Kahl, D.; Yamaguchi, H.; Binh, D. N.; Hashimoto, T.; Wakabayashi, Y.; He, J. J.; Iwasa, N.; Kato, S.; Komatsubara, T.; Kwon, Y. K.; Teranishi, T.; Wanajo, S.

    2012-11-20

    We determined the total reaction rate of the {sup 11}C({alpha},p){sup 14}N reaction relevant to the nucleosynthesis in explosive hydrogen-burning stars. The measurement was performed by means of the thick target method in inverse kinematics with {sup 11}C RI beams. We performed the identification of the ground-state transition and excited-state transitions using time-of-flight information for the first time.

  2. Millimeter-Wave Observations of Circumstellar 14N/15N and 12C/13C Ratios: New Insights into J-Type Stars

    NASA Astrophysics Data System (ADS)

    Adande, Gilles; Ziurys, Lucy M.; Woolf, Neville

    2016-06-01

    Measurements of 14N/15N and 12C/13C isotopic ratios have been conducted towards circumstellar envelopes of a sample of evolved stars using the J = 3→2 rotational transitions of the isotopologues of HCN, observed with the Submillimeter Telescope (SMT) of the Arizona Radio Observatory (ARO). Towards the J-type stars Y CVn and RY Dra, where 12C/13C ~ 3, the 14N/15N ratios were found to be 120-180 and 225, respectively. The 14N/15N ratio is thus anomalously low relative to interstellar values and a factor ~100 lower than equilibrium values predicted from the CNO cycle. Combining these results with previous chemical and isotopic prior observations of these stars, we conclude that two anomalous behaviors are likely to have occurred in Y CVn and RY Dra. First, the stellar envelope failed to participate in the normal mixing seen in low mass red giants, in which C and then O are substantially converted to N. Secondly, both the carbon enrichment and anomalous isotopic composition of both 13C and15N could have been caused by a plume of hot gas, hydrogen poor but enriched in 12C, from a helium flash mixing into the envelope.

  3. Continuum Fitting HST QSO Spectra

    NASA Technical Reports Server (NTRS)

    Tytler, David; Oliversen, Ronald J. (Technical Monitor)

    2002-01-01

    The Principal Component Analysis (PCA) method which we are using to fit and describe QSO spectra relies upon the fact that QSO continuum are generally very smooth and simple except for emission and absorption lines. To see this we need high signal-to-noise (S/N) spectra of QSOs at low redshift which have relatively few absorption lines in the Lyman-a forest. We need a large number of such spectra to use as the basis set for the PCA analysis which will find the set of principal component spectra which describe the QSO family as a whole. We have found that too few HST spectra have the required S/N and hence we need to supplement them with ground based spectra of QSOs at higher redshift. We have many such spectra and we have been working to make them suitable for this analysis. We have concentrated on this topic since 12/15/01.

  4. Interstellar Electron Density Spectra

    NASA Astrophysics Data System (ADS)

    Lambert, Hendrick Clark

    This study concerns the investigation of the form of the wavenumber spectrum of the Galactic electron density fluctuations through an examination of the scattering of the radio pulses emitted by pulsars as they propagate through the diffuse ionized interstellar gas. A widely used model for the electron density spectrum is based on the simple power-law: Pne(q)∝ q-β, where β = 11/3 is usually assumed, corresponding to Kolmogorov's turbulence spectrum. The simple Kolmogorov model provides satisfactory agreement for observations along many lines of sight; however, major inconsistencies remain. The inconsistencies suggest that an increase in the ratio of the power between the high (10-8[ m]-1≤ q<=10-7[ m]-1) and low (10-13[ m]-1≤ q<=10-12[ m]-1) wavenumbers is needed. This enhancement in the ratio can in turn be achieved by either including an inner scale, corresponding to a dissipation scale for the turbulent cascade, in the Kolmogorov spectrum or by considering steeper spectra. Spectra with spectral exponents β > 4 have been in general rejected based on observations of pulsar refractive scintillations. The special case of β = 4 has been given little attention and is analyzed in detail. Physically, this 'β = 4' model corresponds to the random distribution, both in location and orientation, of discrete objects with relatively sharp boundaries across the line of sight. An outer scale is included in the model to account for the average size of such objects. We compare the predictions of the inner-scale and β = 4 models both with published observations and observations we made as part of this investigation. We conclude that the form of the wavenumber spectrum is dependent on the line of sight. We propose a composite spectrum featuring a uniform background turbulence in presence of randomly distributed discrete objects, as modeled by the β = model.

  5. EPR Line Shifts and Line Shape Changes Due to Heisenberg Spin Exchange and Dipole–Dipole Interactions of Nitroxide Free Radicals in Liquids: 9. An Alternative Method to Separate the Effects of the Two Interactions Employing 15N and 14N

    PubMed Central

    2015-01-01

    A method to separate the effects of Heisenberg spin exchange (HSE) and dipole–dipole (DD) interactions on EPR spectra of nitroxide spin probes in solution by employing 15N and 14N nitroxide spin probes in parallel experiments is developed theoretically and tested experimentally. Comprehensive EPR measurements are reported of 4-oxo-2,2,6,6-tetramethylpiperidine-d16;1-15N-1-oxyl (perdeuterated 15N Tempone; 15pDT), in 70 wt % aqueous glycerol as functions of concentration and temperature. The method, termed the relative broadening constant method (RBCM), is demonstrated by using the present results together with those in the literature that employed perdeuterated 14N Tempone (14pDT) under identical conditions. In principle, the separation of DD and HSE is dependent on the model of diffusion and molecular-kinetic parameters; however, within present day experimental uncertainties, the RBCM method turns out to be insensitive to the model. The earlier methods to separate DD and HSE by measuring the dispersion component introduced by the two interactions shows general agreement with the RBCM; however, there are discrepancies larger than estimated uncertainties due to random errors. Thus, further support is found for Salikhov’s recent theory of the effects of DD and HSE on EPR spectra (Appl. Magn. Reson.2010, 38, 237); however, detailed confirmation is still lacking. The RBCM affords a possible approach to separate HSE and DD in spectra complicated by slow motion and/or overlap with other resonance lines, allowing the method to be used in situations more complicated than low-viscosity simple liquids. PMID:25035905

  6. Experimental determination of the {sup 17}O(p,{alpha}){sup 14}N and {sup 17}O(p,{gamma}){sup 18}F reaction rates

    SciTech Connect

    Chafa, A.; Ouichaoui, S.; Tatischeff, V.; Coc, A.; Garrido, F.; Kiener, J.; Lefebvre-Schuhl, A.; Thibaud, J.-P.; Aguer, P.; Barhoumi, S.; Hernanz, M.; Jose, J.; Sereville, N. de

    2007-03-15

    The {sup 17}O(p,{alpha}){sup 14}N and {sup 17}O(p,{gamma}){sup 18}F reactions are of major importance to hydrogen-burning nucleosynthesis in a number of different stellar sites. In particular, {sup 17}O and {sup 18}F nucleosynthesis in classical novae is strongly dependent on the thermonuclear rates of these two reactions. The previously estimated rate for {sup 17}O(p,{alpha}){sup 14}N carries very large uncertainties in the temperature range of classical novae (T=0.01-0.4 GK), whereas a recent measurement has reduced the uncertainty of the {sup 17}O(p,{gamma}){sup 18}F rate. We report on the observation of a previously undiscovered resonance at E{sub c.m.}=183.3 keV in the {sup 17}O(p,{alpha}){sup 14}N reaction, with a measured resonance strength {omega}{gamma}{sub p{alpha}}=(1.6{+-}0.2)x10{sup -3} eV. We studied in the same experiment the {sup 17}O(p,{gamma}){sup 18}F reaction by an activation method, and the resonance strength was found to amount to {omega}{gamma}{sub p{gamma}}=(2.2{+-}0.4)x10{sup -6} eV. The excitation energy of the corresponding level in {sup 18}F was determined to be 5789.8{+-}0.3 keV in a Doppler shift attenuation method measurement, which yielded a value of {tau}<2.6 fs for the level lifetime. The {sup 17}O(p,{alpha}){sup 14}N and {sup 17}O(p,{gamma}){sup 18}F reaction rates were calculated using the measured resonance properties and reconsidering some previous analyses of the contributions of other levels or processes. The {sup 17}O(p,{alpha}){sup 14}N rate is now well established below T=1.5 GK, with uncertainties reduced by orders of magnitude in the temperature range T=0.1-0.4 GK. The uncertainty in the {sup 17}O(p,{gamma}){sup 18}F rate is somewhat larger because of remaining obscurities in the knowledge of the direct capture process. These new resonance properties have important consequences for {sup 17}O nucleosynthesis and {gamma}-ray emission of classical novae.

  7. Interpreting Chromosome Aberration Spectra

    NASA Technical Reports Server (NTRS)

    Levy, Dan; Reeder, Christopher; Loucas, Bradford; Hlatky, Lynn; Chen, Allen; Cornforth, Michael; Sachs, Rainer

    2007-01-01

    Ionizing radiation can damage cells by breaking both strands of DNA in multiple locations, essentially cutting chromosomes into pieces. The cell has enzymatic mechanisms to repair such breaks; however, these mechanisms are imperfect and, in an exchange process, may produce a large-scale rearrangement of the genome, called a chromosome aberration. Chromosome aberrations are important in killing cells, during carcinogenesis, in characterizing repair/misrepair pathways, in retrospective radiation biodosimetry, and in a number of other ways. DNA staining techniques such as mFISH ( multicolor fluorescent in situ hybridization) provide a means for analyzing aberration spectra by examining observed final patterns. Unfortunately, an mFISH observed final pattern often does not uniquely determine the underlying exchange process. Further, resolution limitations in the painting protocol sometimes lead to apparently incomplete final patterns. We here describe an algorithm for systematically finding exchange processes consistent with any observed final pattern. This algorithm uses aberration multigraphs, a mathematical formalism that links the various aspects of aberration formation. By applying a measure to the space of consistent multigraphs, we will show how to generate model-specific distributions of aberration processes from mFISH experimental data. The approach is implemented by software freely available over the internet. As a sample application, we apply these algorithms to an aberration data set, obtaining a distribution of exchange cycle sizes, which serves to measure aberration complexity. Estimating complexity, in turn, helps indicate how damaging the aberrations are and may facilitate identification of radiation type in retrospective biodosimetry.

  8. Sequencing BPS spectra

    DOE PAGES

    Gukov, Sergei; Nawata, Satoshi; Saberi, Ingmar; Stošić, Marko; Sułkowski, Piotr

    2016-03-02

    In this article, we provide both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explainmore » from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincar e polynomials in numerous examples. Among these structural properties is a novel "sliding" property, which can be explained by using (re fined) modular S-matrix. This leads to the identi fication of modular transformations in Chern-Simons theory and 3d N = 2 theory via the 3d/3d correspondence. In conclusion, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.« less

  9. Sequencing BPS spectra

    NASA Astrophysics Data System (ADS)

    Gukov, Sergei; Nawata, Satoshi; Saberi, Ingmar; Stošić, Marko; Sułkowski, Piotr

    2016-03-01

    This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel "sliding" property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d {N}=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

  10. Microwave Spectra, Molecular Structure and Aromatic Character of Bn-Naphthalene (4A,8A-AZABORANAPHTHALENE)

    NASA Astrophysics Data System (ADS)

    Pejlovas, Aaron M.; Kukolich, Stephen G.; Ashe, Arthur J., III; Daly, Adam M.

    2016-06-01

    he microwave spectra for seven unique isotopologues of BN-naphthalene (4a,8a-azaboranaphthalene) were measured using a pulsed-beam Fourier transform microwave spectrometer. Spectra were obtained for the normal isotopologues with 10B, 11B, all unique single 13C and the 15N isotopologue, in natural abundance. The rotational, centrifugal distortion and quadrupole coupling constants determined for the 11B14N isotopologue are A = 3042.7128(4) MHz, B = 1202.7066(4) MHz, C = 862.2201(4) MHz, DJ = 0.06(1) kHz, 1.5 eQqaa (14N) = 2.578(6) MHz, 0.25(eQqbb- eQqcc) (14N) = -0.119(2) MHz, 1.5 eQqaa (11B) = -3.922(8) MHz, and 0.25(eQqbb- eQqcc) (11B) = -0.907(2) MHz. The experimental inertial defect is Δ = -0.159 amu Å2, which is consistent with a planar structure. The B-N bond length is 1.47 Å, indicating π-bonding character. The results are compared with similar results for B-N bonding in 1,2-dihydro-1,2-azaborine and BN-cyclohexene. Supported by the NSF CHE-1057796

  11. [EPR spectra of silkworm eggs].

    PubMed

    Korkhova, E D; Chepel', L M; Nikolov, O T; Komar', I N; Shakhbazov, V G

    1976-01-01

    ESR spectra of the native grain of the silkworm have been studied in the course of embryo formation, during a diapause, and during embryo development after the diapause. It is shown that the nature of ESR spectra of the grain is not determined by the metabolic processes, but by the presence of pigments in it and other stationary biological structures having developed pi-systems and unpaired electrones. The latter are mainly found in the envelope and may give the ESR spectra, with various g-factors. A dependence of the ESR spectra integral intensity of the grain on the denotype is discovered.

  12. Improvement of the high-accuracy 17O(p ,α )14N reaction-rate measurement via the Trojan Horse method for application to 17O nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Sergi, M. L.; Spitaleri, C.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Rapisarda, G. G.; Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; deBoer, R.; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; O'Brien, S.; Roberson, D.; Tan, W.; Wiescher, M.; Irgaziev, B.; Mukhamedzhanov, A.; Mrazek, J.; Kroha, V.

    2015-06-01

    The 17O(p ,α )14N and 17O(p ,γ )18F reactions are of paramount importance for the nucleosynthesis in a number of stellar sites, including red giants (RGs), asymptotic giant branch (AGB) stars, massive stars, and classical novae. In particular, they govern the destruction of 17O and the formation of the short-lived radioisotope 18F, which is of special interest for γ -ray astronomy. At temperatures typical of the above-mentioned astrophysical scenario, T =0.01 -0.1 GK for RG, AGB, and massive stars and T =0.1 -0.4 GK for a classical nova explosion, the 17O(p ,α )14N reaction cross section is dominated by two resonances: one at about ERc m=65 keV above the 18F proton threshold energy, corresponding to the EX=5.673 MeV level in 18F, and another one at ERc m=183 keV (EX=5.786 MeV). We report on the indirect study of the 17O(p ,α )14N reaction via the Trojan Horse method by applying the approach recently developed for extracting the strength of narrow resonance at ultralow energies. The mean value of the strengths obtained in the two measurements was calculated and compared with the direct data available in literature. This value was used as input parameter for reaction-rate determination and its comparison with the result of the direct measurement is also discussed in the light of the electron screening effect.

  13. Assessment of experimental d-PIGE γ-ray production cross sections for 12C, 14N and 16O and comparison with absolute thick target yields

    NASA Astrophysics Data System (ADS)

    Csedreki, L.; Halász, Z.; Kiss, Á. Z.

    2016-08-01

    Measured differential cross sections for deuteron induced γ-ray emission from the reactions 12C(d,pγ)13C, (Eγ = 3089 keV), 14N(d,pγ)15N (Eγ = 8310 keV) and 16O(d,pγ)17O (Eγ = 871 keV) available in the literature were assessed. In order to cross check the assessed γ-ray production cross section data, thick target γ-yields calculated from the differential cross sections were compared with available measured thick target yields. Recommended differential cross section data for each reaction were deduced for particle induced γ-ray emission (PIGE) applications.

  14. Resonance strength measurement at astrophysical energies: The {sup 17}O(p,α){sup 14}N reaction studied via Trojan Horse Method

    SciTech Connect

    Sergi, M. L. La Cognata, M.; Pizzone, R. G.; Spitaleri, C.; Lamia, L.; Rapisarda, G. G.; Mukhamedzhanov, A.; Irgaziev, B.; Tang, X. D.; Wiescher, M.; Mrazek, J.; Kroha, V.

    2015-10-15

    In recent years, the Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of proton-induced reactions on {sup 17}O nuclei, overcoming extrapolation procedures and enhancement effects due to electron screening. We will report on the indirect study of the {sup 17}O(p,α){sup 14}N reaction via the THM by applying the approach developed for extracting the resonance strength of narrow resonance in the ultralow energy region. Two measurements will be described and the experimental THM cross sections will be shown for both experiments.

  15. A direct underground measurement of the {sup 17}O(p,α){sup 14}N reaction cross-section at energies of astrophysical interest

    SciTech Connect

    Bruno, C. G.; Collaboration, LUNA

    2014-05-09

    The {sup 17}O(p,α){sup 14}N reaction plays a key role in many stellar sites, including classical novae and massive stars. Our knowledge of these scenarios might be improved by a precise measurement of the reaction’s cross-section at astrophysical energies. A direct attempt is currently underway in the Gran Sasso Laboratory, Italy, using the underground LUNA 400kV accelerator. The background reduction afforded by the underground environment is essential to the success of this challenging measurement. A purpose-built experimental setup has been simulated and commissioned. Preliminary results are presented.

  16. Catalogue of representative meteor spectra

    NASA Astrophysics Data System (ADS)

    Vojáček, V.; Borovička, J.; Koten, P.; Spurný, P.; Štork, R.

    2016-01-01

    We present a library of low-resolution meteor spectra that includes sporadic meteors, members of minor meteor showers, and major meteor showers. These meteors are in the magnitude range from +2 to ‑3, corresponding to meteoroid sizes from 1 mm to10 mm. This catalogue is available online at the CDS for those interested in video meteor spectra.

  17. Projecting Spectra for Classroom Investigations.

    ERIC Educational Resources Information Center

    Sadler, Philip

    1991-01-01

    Describes an inexpensive spectrum projector that makes high-dispersion, high-efficiency diffraction gratings using a holographic process. Discusses classroom applications such as transmission spectra, absorption spectra, reflection characteristics of materials, color mixing, florescence and phosphorescence, and break up spectral colors. (MDH)

  18. Catalogue of representative meteor spectra

    NASA Astrophysics Data System (ADS)

    Vojáček, V.; Borovička, J.; Koten, P.; Spurný, P.; Štork, R.

    2016-01-01

    We present a library of low-resolution meteor spectra that includes sporadic meteors, members of minor meteor showers, and major meteor showers. These meteors are in the magnitude range from +2 to -3, corresponding to meteoroid sizes from 1 mm to10 mm. This catalogue is available online at the CDS for those interested in video meteor spectra.

  19. Microwave spectra of the Ne-N2 Van der Waals complex: Experiment and theory

    NASA Astrophysics Data System (ADS)

    Jäger, W.; Xu, Y.; Armstrong, G.; Gerry, M. C. L.; Naumkin, F. Y.; Wang, F.; McCourt, F. R. W.

    1998-10-01

    High-resolution microwave spectra of the ground state 20Ne-14N2, 20Ne-15N2, 22Ne-14N2, and 22Ne-15N2 Van der Waals complexes, involving rotational levels up to J=4, are reported. Interpretation and assignment of the observed transitions were made by combining results of measurements and theoretical predictions of the MW line positions in terms of available empirical potential energy surfaces and of a new high-level ab initio potential energy surface. The deviations of the calculated MW spectra from those observed experimentally are more uniform for the ab initio potential surface than they are for the empirical potential surfaces, allowing for reduction of the deviations to within 0.07% for all isotopomers by a single-parameter scaling of the ab initio potential energy surface. The scaled Ne-N2 interaction potential was used to predict the MW line positions for the transitions J'-J″=3-2, 4-3 for all species. A simple procedure is proposed to improve the ab initio results for atom-diatom systems on the basis of atom-atom interaction components.

  20. Accelerator mass spectrometry measurements of the 13C (n ,γ )14C and 14N(n ,p )14C cross sections

    NASA Astrophysics Data System (ADS)

    Wallner, A.; Bichler, M.; Buczak, K.; Dillmann, I.; Käppeler, F.; Karakas, A.; Lederer, C.; Lugaro, M.; Mair, K.; Mengoni, A.; Schätzel, G.; Steier, P.; Trautvetter, H. P.

    2016-04-01

    The technique of accelerator mass spectrometry (AMS), offering a complementary tool for sensitive studies of key reactions in nuclear astrophysics, was applied for measurements of the 13C (n ,γ )14C and the 14N(n ,p )14C cross sections, which act as a neutron poison in s -process nucleosynthesis. Solid samples were irradiated at Karlsruhe Institute of Technology with neutrons closely resembling a Maxwell-Boltzmann distribution for k T =25 keV, and also at higher energies between En=123 and 182 keV. After neutron irradiation the produced amount of 14C in the samples was measured by AMS at the Vienna Environmental Research Accelerator (VERA) facility. For both reactions the present results provide important improvements compared to previous experimental data, which were strongly discordant in the astrophysically relevant energy range and missing for the comparably strong resonances above 100 keV. For 13C (n ,γ ) we find a four times smaller cross section around k T =25 keV than a previous measurement. For 14N(n ,p ), the present data suggest two times lower cross sections between 100 and 200 keV than had been obtained in previous experiments and data evaluations. The effect of the new stellar cross sections on the s process in low-mass asymptotic giant branch stars was studied for stellar models of 2 M⊙ initial mass, and solar and 1 /10th solar metallicity.

  1. Improved Direct Measurement of the 64.5 keV Resonance Strength in the 17O (p ,α )14N Reaction at LUNA

    NASA Astrophysics Data System (ADS)

    Bruno, C. G.; Scott, D. A.; Aliotta, M.; Formicola, A.; Best, A.; Boeltzig, A.; Bemmerer, D.; Broggini, C.; Caciolli, A.; Cavanna, F.; Ciani, G. F.; Corvisiero, P.; Davinson, T.; Depalo, R.; Di Leva, A.; Elekes, Z.; Ferraro, F.; Fülöp, Zs.; Gervino, G.; Guglielmetti, A.; Gustavino, C.; Gyürky, Gy.; Imbriani, G.; Junker, M.; Menegazzo, R.; Mossa, V.; Pantaleo, F. R.; Piatti, D.; Prati, P.; Somorjai, E.; Straniero, O.; Strieder, F.; Szücs, T.; Takács, M. P.; Trezzi, D.; LUNA Collaboration

    2016-09-01

    The 17O (p ,α ) 14N reaction plays a key role in various astrophysical scenarios, from asymptotic giant branch stars to classical novae. It affects the synthesis of rare isotopes such as 17O and 18F, which can provide constraints on astrophysical models. A new direct determination of the ER=64.5 keV resonance strength performed at the Laboratory for Underground Nuclear Astrophysics (LUNA) accelerator has led to the most accurate value to date ω γ =10.0 ±1. 4stat±0. 7syst neV , thanks to a significant background reduction underground and generally improved experimental conditions. The (bare) proton partial width of the corresponding state at Ex=5672 keV in 18F is Γp=35 ±5stat±3syst neV . This width is about a factor of 2 higher than previously estimated, thus leading to a factor of 2 increase in the 17O (p , α ) 14N reaction rate at astrophysical temperatures relevant to shell hydrogen burning in red giant and asymptotic giant branch stars. The new rate implies lower 17O/16O ratios, with important implications on the interpretation of astrophysical observables from these stars.

  2. Submillimeter Observations of Titan: Global Measures of Stratospheric Temperature, CO, HCN, HC3N, and the Isotopic Ratios 12C/13C and 14N/15N

    NASA Astrophysics Data System (ADS)

    Gurwell, Mark A.

    2004-11-01

    Interferometric observations of the atmosphere of Titan were performed with the Submillimeter Array on two nights in 2004 February to investigate the global average vertical distributions of several molecular species above the tropopause. Rotational transitions of CO, isomers of HCN, and HC3N were simultaneously recorded. The abundance of CO is determined to be 51+/-4 parts per million (ppm), constant with altitude. The vertical profile of HCN is dependent on the assumed temperature but generally increases from 30 parts per billion at the condensation altitude (~83 km) to 5 ppm at ~300 km. Furthermore, the central core of the HCN emission is strong and can be reproduced only if the upper stratospheric temperature increases with altitude. The isotopic ratios are determined to be 12C/13C=132+/-25 and 14N/15N=94+/-13 assuming the Coustenis & Bézard temperature profile. If the Lellouch temperature profile is assumed, the ratios decrease to 12C/13C=108+/-20 and 14N/15N=72+/-9. The vertical profile of HC3N is consistent with that derived by Marten et al.

  3. The structural transformation of monoclinic [(R)-C5H14N2][Cu(SO4)2(H2O)4].2H2O into orthorhombic [(R)-C5H14N2]2[Cu(H2O)6](SO4)3: crystal structures and thermal behavior

    NASA Astrophysics Data System (ADS)

    Saïd, Salem; Mhadhbi, Noureddine; Hajlaoui, Fadhel; Yahyaoui, Samia; Norquist, Alexander J.; Mhiri, Tahar; Bataille, Thierry; Naïli, Houcine

    2014-01-01

    Single crystals of [(R)-C5H14N2][Cu(SO4)2(H2O)4].2H2O (1) were grown through the slow evaporation of a solution containing H2SO4, (R)-C5H12N2 and CuSO4.5H2O. These crystals spontaneously transform to [(R)-C5H14N2]2[Cu(H2O)6](SO4)3 (2) over the course of four days at room temperature. The same single crystal on the same mounting was used for the determination of the structure of (1) and the unit cell determination of (2). A second single crystal of the transformed batch has served for the structural determination of (2). Compound 1 crystallizes in the noncentrosymmetric space group P21 (No. 4) and consists of trimeric [Cu(SO4)2(H2O)4]2- anions, [(R)-C5H14N2]2+ cations and occluded water molecules. Compound 2 crystallizes in P21212 (No. 18) and contains [Cu(H2O)6]2+ cations, [SO4]2- anions and occluded water molecules. The thermal decompositions of compounds 1 and 2 were studied by thermogravimetric analyses and temperature-dependent X-ray diffraction.

  4. Simulations of molecular dynamics in solid-state NMR spectra of spin-1 nuclei including effects of CSA- and EFG-terms up to second order.

    PubMed

    Larsen, Flemming H

    2007-04-01

    By numerical simulations MAS and QCPMG methods for acquiring spectra of spin-1 nuclei were compared in order to determine the most sensitive experiment for analysis of molecular dynamics. To comply with the large quadrupolar constants for 14N and the CSA reported for 6Li both of these interactions are included up to second order. For 2H and 6Li both QCPMG and single-pulse MAS experiments were suitable for dynamics studies whereas the single-pulse MAS experiment were the method of choice for investigation of 14N dynamics for C(Q)'s larger than 750kHz at 14.1T. This property prohibits excitation of the 14N lineshape using either single hard or softer composite rf-pulses. Focusing on 14N it was demonstrated that the centerband lineshape is sensitive toward both off-MAS and CSA effects. In addition, excitation by real-time pulses showed that proper lineshapes corresponding to a site with a C(Q) of 3MHz may be excited by a very short pulse. PMID:17418539

  5. Radiative neutron capture by {sup 2}H, {sup 7}Li, {sup 14}C, and {sup 14}N nuclei at astrophysical energies

    SciTech Connect

    Dubovichenko, S. B.

    2013-07-15

    The possibility of describing experimental data on the total cross sections for the n{sup 2}H, n{sup 7}Li, n{sup 14}C, and n{sup 14}N radiative-capture processes within the potential cluster model involving forbidden states and their classification according to Young's tableaux is considered. It is shown that this model and the methods used here to construct potentials make it possible to describe correctly the behavior of the experimental cross sections at energies between 5 to 10 meV (5 Multiplication-Sign 10{sup -3}-10 Multiplication-Sign 10{sup -3} eV) and 1 to 15MeV.

  6. NO3- Coordination in Aqueous Solutions by 15N/14N and 18O/natO Isotopic Substitution: What Can We Learn from Molecular Simulation?

    DOE PAGES

    Chialvo, Ariel A.; Vlcek, Lukas

    2014-12-16

    We explore the deconvolution of the water-nitrate correlations by the first-order difference approach involving neutron diffraction of heavy- and null-aqueous solutions of KNO3 under 14N 15N and natON 18ON substitutions to achieve a full characterization of the first water coordination around the nitrate ion. For that purpose we performed isobaric-isothermal simulations of 3.5m KNO3 aqueous solutions at ambient conditions to generate the relevant radial distribution functions (RDF) required in the analysis (a) to identify the individual partial contributions to the total neutron weighted distribution function, (b) to isolate and assess the contribution of NO3 -!K+ pair formation, (c) to testmore » the accuracy of the NDIS-based coordination calculations and XRDbased assumptions, and (d) to describe the water coordination around both the nitrogen and oxygen sites of the nitrate ion.« less

  7. Theory of 14N and 17O Nuclear Quadrupole Interactions in the Single Amino Acids Occurring in the Protein Chain of Cytochrome c

    NASA Astrophysics Data System (ADS)

    Scheicher, R. H.; Cammarere, D.; Sahoo, N.; Nagamine, K.; Das, T. P.

    2002-07-01

    The understanding of electron transport in proteins based on a novel technique involving muon spin rotation (μSR)measurements is a topic of great current interest. The technique, which involves study of spin relaxation of a positive muon (μ+) trapped in amino acids in protein chains due to the fluctuating magnetic field that the moving electron produces, is based on the premise that the electron is generated by ionization of a muonium (Mu) which was trapped at the same site as the μ+ left behind. In attempting to test this premise from first-principles for the Cytochrome c (Cyt c) system in which recent μSR measurements have been made, we have carried out Hartree- Fock investigations of the electronic structures of the bare amino acids and amino acids with + and Mu trapped at the oxygen of the C=O group common to all amino acids. With the aim that the comparison of theoretically predicted experimental nuclear quadrupole interaction (NQI) parameters will provide a useful test of the electron distribution in the amino acids of Cyt c, we present results for the nuclear quadrupole coupling constants (e2qQ) and asymmetry parameters (η) for the bare amino acids and the amino acids with trapped μ+ and Mu. The trends in 2 and for 14N and 17O between the various amino acids, as well as the changes in these parameters in the presence of μ+ and Mu are being analyzed. It would be helpful to have experimental data for e2qQ and to η compare with our predictions for the amino acids as they occur in vitro in polycrystalline Cyt c in which the SR measurements have been carried out. It is also hoped that the μSR technique will be able to provide experimental data on e2qQ and for the 14N and 17O nuclei to compare with our predictions

  8. Complex Spectra in Fusion Plasmas

    NASA Astrophysics Data System (ADS)

    von Hellermann, M. G.; Bertschinger, G.; Biel, W.; Giroud, C.; Jaspers, R.; Jupen, C.; Marchuk, O.; O'Mullane, M.; Summers, H. P.; Whiteford, A.; Zastrow, K.-D.

    2005-01-01

    The need for quantitative evaluation of complex line emission spectra as observed in hot fusion plasmas initiated a challenging development of sophisticated interpretation tools based on integrating advanced atomic modelling with detailed treatment of the plasma environment. The successful merging of the two worlds has led to routine diagnostic procedures which have contributed enormously to the understanding of underlying plasma processes and also to a wide acceptance of spectroscopy as a reliable diagnostic method. In this paper three characteristic types of spectra of current and continuing interest are presented. The first is that of medium/heavy species with many ionisation stages revealed in survey VUV and XUV spectra. Such species occur as control gases, as wall materials, as ablated heavy species and possible as layered wall dopants for monitoring erosion. The spectra are complex with line-like and quasi-continuum regions and are amenable to advanced `pattern recognition' methods. The second type is of few electron, highly ionised systems observed as line-of-sight integrated passive emission spectra in the soft x-ray region. They are analysed successfully in terms of plasma parameters through matching of observation with predicted synthetic spectra. Examples used here include highly resolved helium-like emission spectra of argon, iron and titanium observed on the tokamaks TEXTOR and Tore Supra. The third type, and the emphasis of this work, comprises spectra linked to active beam spectroscopy, that is, charge exchange recombination spectroscopy (CXRS) and beam emission spectroscopy (BES). In this case, a complex spectrum is again composed of a (usually) dominating active spectrum and an underlying passive emission spectrum. Its analysis requires modelling of both active and passive features. Examples used here are from the CXRS diagnostic at JET and TEXTOR. They display characteristic features of the main light impurity ions (C+6, He+2, N+7, Ne+10 and Ar+18

  9. Analysis of photometric spectra of 17 meteors

    NASA Technical Reports Server (NTRS)

    Millman, P. M.

    1982-01-01

    The initial phase of the photometry which involved 17 meteor spectra consisting of eight Geminid spectra, six Orionid spectra and three Eta Aquarid spectra is discussed. Among these 17 spectra it is found that the Geminid spectra are of the best quality and are used for the identification of the atomic lines and molecular bands that normally appear on video tape spectra. The data from the Geminid records are used for developing calibration techniques in photometry. The Orionid and Eta Aquarid spectra are chosen for early analysis because of the current interest in all physical and chemical data relating to Comet Halley.

  10. Reduction of multielement mass spectra

    SciTech Connect

    Russ, G.P. III; Caffee, M.W.; Hudson, G.B.; Storch, N.A.

    1990-06-29

    Even though the spectra obtained by inductively coupled plasma source spectrometry (ICP-MS) are relatively simple, their interpretation can be complicated by the presence of molecular and isobaric interferants. To the extent that isotopic abundances are known and constant, one can treat observed spectra as sums of known components. A linear decomposition approach for determining the concentrations of the components in a spectrum and correctly propagating uncertainties is presented. This technique differs from linear regression in that an exact fit is made to a subset of isotopes and goodness-of-fit is evaluated from the deviations between the predicted and measured intensities of the other, unfit isotopes. This technique can be applied to a wide range of spectral fitting problems. In this paper, its applicability to ICP-MS spectra is used to demonstrate the use and utility of the technique. 2 refs., 9 figs.

  11. Photon spectra from WIMP annihilation

    SciTech Connect

    Cembranos, J. A. R.; Cruz-Dombriz, A. de la; Dobado, A.; Maroto, A. L.; Lineros, R. A.

    2011-04-15

    If the present dark matter in the Universe annihilates into standard model particles, it must contribute to the fluxes of cosmic rays that are detected on the Earth and, in particular, to the observed gamma-ray fluxes. The magnitude of such a contribution depends on the particular dark matter candidate, but certain features of the produced photon spectra may be analyzed in a rather model-independent fashion. In this work we provide the complete photon spectra coming from WIMP annihilation into standard model particle-antiparticle pairs obtained by extensive Monte Carlo simulations. We present results for each individual annihilation channel and provide analytical fitting formulas for the different spectra for a wide range of WIMP masses.

  12. QUALITATIVE INTERPRETATION OF GALAXY SPECTRA

    SciTech Connect

    Sanchez Almeida, J.; Morales-Luis, A. B.; Terlevich, R.; Terlevich, E.; Cid Fernandes, R. E-mail: abml@iac.es E-mail: eterlevi@inaoep.mx

    2012-09-10

    We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is for general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means-based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7, thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to H II galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. We compare the mean ages of the stellar populations with those inferred using the code STARLIGHT. We also examine the estimated gas-phase metallicity with the metallicities obtained using electron-temperature-based methods. A number of byproducts follow from the analysis. There is a tight correlation between the age of the stellar population and the metallicity of the gas, which is stronger than the correlations between galaxy mass and stellar age, and galaxy mass and gas metallicity. The galaxy spectra are known to follow a one-dimensional sequence, and we identify the luminosity-weighted mean stellar age as the affine parameter that describes the sequence. All ASK classes happen to have a significant fraction of old stars, although spectrum-wise they are outshined by the youngest populations. Old stars are metal-rich or metal-poor depending on whether they reside in passive galaxies or in star-forming galaxies.

  13. AVIRIS spectra of California wetlands

    NASA Technical Reports Server (NTRS)

    Gross, Michael F.; Ustin, Susan L.; Klemas, Vytautas

    1988-01-01

    Spectral data gathered by the AVIRIS from wetlands in the Suisun Bay area of California on 13 October 1987 were analyzed. Spectra representing stands of numerous vegetation types (including Sesuvium verrucosum, Scirpus acutus and Scirpus californicus, Xanthium strumarium, Cynadon dactylon, and Distichlis spicata) and soil were isolated. Despite some defects in the data, it was possible to detect vegetation features such as differences in the location of the chlorophyll red absorption maximum. Also, differences in cover type spectra were evident in other spectral regions. It was not possible to determine if the observed features represent noise, variability in canopy architecture, or chemical constituents of leaves.

  14. The structure of BPS spectra

    NASA Astrophysics Data System (ADS)

    Longhi, Pietro

    In this thesis we develop and apply novel techniques for analyzing BPS spectra of supersymmetric quantum field theories of class S. By a combination of wall-crossing, spectral networks and quiver methods we explore the BPS spectra of higher rank four-dimensional N = 2 super Yang-Mills, uncovering surprising new phenomena. Focusing on the SU(3) case, we prove the existence of wild BPS spectra in field theory, featuring BPS states of higher spin whose degeneracies grow exponentially with the energy. The occurrence of wild BPS states is surprising because it appears to be in tension with physical expectations on the behavior of the entropy as a function of the energy scale. The solution to this puzzle comes from realizing that the size of wild BPS states grows rapidly with their mass, and carefully analyzing the volume-dependence of the entropy of BPS states. We also find some interesting structures underlying wild BPS spectra, such as a Regge-like relation between the maximal spin of a BPS multiplet and the square of its mass, and the existence of a universal asymptotic distribution of spin-j irreps within a multiplet of given charge. We also extend the spectral networks construction by introducing a refinement in the topological classification of 2d-4d BPS states, and identifying their spin with a topological invariant known as the "writhe of soliton paths". A careful analysis of the 2d-4d wall-crossing behavior of this refined data reveals that it is described by motivic Kontsevich-Soibelman transformations, controlled by the Protected Spin Character, a protected deformation of the BPS index encoding the spin of BPS states. Our construction opens the way for the systematic study of refined BPS spectra in class S theories. We apply it to several examples, including ones featuring wild BPS spectra, where we find an interesting relation between spectral networks and certain functional equations. For class S theories of A 1 type, we derive an alternative technique for

  15. cloud supersaturations and CCN spectra

    NASA Astrophysics Data System (ADS)

    Hudson, James; Noble, Stephen

    2014-05-01

    Multiple regression analysis predictions of low altitude cloud droplet concentrations based on measured CCN spectra compared much better with measured low altitude droplet concentrations than various CCN concentrations at single supersaturations (S) in two aircraft cumulus cloud projects, RICO and ICE-T. The addition of vertical velocity (W) to the single and multiple regressions showed small improvements. For RICO the multiple regression correlations were also superior to previous adiabatic model predictions of droplet concentrations also based on CCN spectra and mean W. More adiabatic cloud parcels showed only slightly better correlations than flight-averaged droplet concentrations. Results show the value of more extensive CCN spectra and the relative unimportance of W variations for determining droplet concentrations in these Caribbean cumuli. The fact that flight-averaged droplet concentrations of all low cloud data was almost as well correlated with CCN spectra as were droplet concentrations of more adiabatic cloud parcels indicates that entrainment did not significantly perturb CCN-droplet concentration relationships. As should be expected higher cloud S were determined for the cumulus clouds than for stratus clouds. Suppression of cloud S by higher CCN concentrations that had previously been observed in stratus was observed in ICE-T but not in RICO where the CCN range may have been too low for cloud S suppression. But ICE-T and a stratus project, POST, even showed this S suppression over the same limited maritime CCN range as RICO.

  16. Classical Trajectories and Quantum Spectra

    NASA Technical Reports Server (NTRS)

    Mielnik, Bogdan; Reyes, Marco A.

    1996-01-01

    A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

  17. Shape effects on asteroid spectra

    NASA Astrophysics Data System (ADS)

    Davalos, J.; Carvano, J.

    2014-07-01

    The objective of this work is to probe how the shape of a body like an asteroid could be modifying its observed spectra and the derived mineralogical interfaces based on spectral modeling. To model this effect, we construct an oblate ellipsoid with triangular facets, where each facet contributes to the overall reflectance. The synthetic spectra is generated by the isotropic multiple-scattering approximation (IMSA) reflectance model of Hapke (1993). First, we obtained optical constants by inverting the spectra of meteorites, obtained from the RELAB spectral database. These optical constants were found inverting the reflectance bidirectional equation of Hapke; this is made in two steps: (i) The first inversion is to find the single-scattering albedo π (ii) in the model of Hapke, this albedo is found under the regime of the geometric optics, where the particle size is much larger than the wavelength of the incident radiation. Here we assumed a constant value for the real part of the optical constant n=1.5. With these optical constants, we can construct synthetic spectra for any particle size. The phase function used is the double Henyey-Greenstein phase function and an accurate expression for the H-functions. We started with the ellipsoidal shape a=1.0, b=c=0.5 for two particle size 50 and 250 μ m, in this part, we found good differences in the BAR parameter between the two geometric models, this was done for 100 Eucrite meteorites spectra. In this first study, we found that the BAR parameter between the two models is bigger when the particle size increases. In the second part, we started with different ellipsoidal shapes and produced synthetic spectra for material with eucrite and diogenite composition with a phase angle of 20 degrees, incidence and emission angles of 10 degrees, and particle size at 250 μ m. All spectra was generated for four parameters of phase angle b=[0.2,0.4,0.6,0.8] taking the empirical relation between the phase constants of Hapke (2012

  18. Source spectra of seismic hum

    NASA Astrophysics Data System (ADS)

    Nishida, Kiwamu

    2014-10-01

    The observation of seismic hum from 2 to 20 mHz, also known as Earth's background free oscillations, has been established. Recent observations by broad-band seismometers show simultaneous excitation of Love waves (fundamental toroidal modes) and Rayleigh waves (fundamental spheroidal modes). The excitation amplitudes above 10 mHz can be explained by random shear traction sources on Earth's surface. With estimated source distributions, the most likely excitation mechanism is a linear coupling between ocean infragravity waves and seismic surface waves through seafloor topography. Observed Love and Rayleigh wave amplitudes below 5 mHz suggest that surface pressure sources could also contribute to their excitations, although the amplitudes have large uncertainties due to the high noise levels of the horizontal components. To quantify the observation, we develop a new method for estimation of the source spectra of random tractions on Earth's surface by modelling cross-spectra between pairs of stations. The method is to calculate synthetic cross-spectra for spatially isotropic and homogeneous excitations by random shear traction and pressure sources, and invert them with the observed cross-spectra to obtain the source spectra. We applied this method to the IRIS, ORFEUS, and F-net records from 618 stations with three components of broad-band seismometers for 2004-2011. The results show the dominance of shear traction above 5 mHz, which is consistent with past studies. Below 5 mHz, however, the spectral amplitudes of the pressure sources are comparable to those of shear traction. Observed acoustic resonance between the atmosphere and the solid Earth at 3.7 and 4.4 mHz suggests that atmospheric disturbances are responsible for the surface pressure sources, although non-linear ocean wave processes are also candidates for the pressure sources. Excitation mechanisms of seismic hum should be considered as a superposition of the processes of the solid Earth, atmosphere and ocean

  19. Foliar and fungal 15N:14N ratios reflect development of mycorrhizae and nitrogen supply during primary succession: testing analytical models.

    PubMed

    Hobbie, Erik A; Jumpponen, Ari; Trappe, Jim

    2005-12-01

    Nitrogen isotopes (15N/14N ratios, expressed as delta15N values) are useful markers of the mycorrhizal role in plant nitrogen supply because discrimination against 15N during creation of transfer compounds within mycorrhizal fungi decreases the 15N/14N in plants (low delta15N) and increases the 15N/14N of the fungi (high delta15N). Analytical models of 15N distribution would be helpful in interpreting delta15N patterns in fungi and plants. To compare different analytical models, we measured nitrogen isotope patterns in soils, saprotrophic fungi, ectomycorrhizal fungi, and plants with different mycorrhizal habits on a glacier foreland exposed during the last 100 years of glacial retreat and on adjacent non-glaciated terrain. Since plants during early primary succession may have only limited access to propagules of mycorrhizal fungi, we hypothesized that mycorrhizal plants would initially be similar to nonmycorrhizal plants in delta15N and then decrease, if mycorrhizal colonization were an important factor influencing plant delta15N. As hypothesized, plants with different mycorrhizal habits initially showed similar delta15N values (-4 to -6 per thousand relative to the standard of atmospheric N2 at 0 per thousand), corresponding to low mycorrhizal colonization in all plant species and an absence of ectomycorrhizal sporocarps. In later successional stages where ectomycorrhizal sporocarps were present, most ectomycorrhizal and ericoid mycorrhizal plants declined by 5-6 per thousand in delta15N, suggesting transfer of 15N-depleted N from fungi to plants. The values recorded (-8 to -11 per thousand) are among the lowest yet observed in vascular plants. In contrast, the delta15N of nonmycorrhizal plants and arbuscular mycorrhizal plants declined only slightly or not at all. On the forefront, most ectomycorrhizal and saprotrophic fungi were similar in delta15N (-1 to -3 per thousand), but the host-specific ectomycorrhizal fungus Cortinarius tenebricus had values of up to 7

  20. Lifetime Measurement of the 6.79 MeV Excited State of 15O to Help Constrain the 14N(p,gamma)15O Reaction Rate

    NASA Astrophysics Data System (ADS)

    Galinski, Naomi

    2013-12-01

    In main sequence stars such as our Sun, the source of energy comes from converting hydrogen into helium. There are two competing mechanisms via which this can happen: the pp chain and CNO cycle. The latter is a cycle of reactions involving carbon, nitrogen and oxygen which are catalysts for the conversion of hydrogen into helium. The slowest reaction 14N(p, gamma) 15O in the cycle will affect the energy generation timescale and the amount of helium ash produced via the CNO cycle. This has several astrophysical impacts. It affects the evolutionary timescale of main sequence stars from which the ages of globular clusters can be calculated, the nucleosynthesis of heavier elements in H burning shells of red giant stars, and the fraction of energy produced by the CNO cycle compared to the pp chain in our Sun which helps determine the interior composition of the Sun. For main sequence stars the CNO cycle dominates over the pp chain for core temperatures T ≳ 0.02 GK. For the 14N(p, gamma)15O reaction this corresponds to a low center of mass energy Ecm = 30 keV. This is lower than the low energy limit of the reaction rate measurable in the laboratory. This means that we need to extrapolate down to low energy using theory. The largest remaining uncertainty in the theoretical calculations is due to the lifetime tau of the 6.79 MeV state of 15O. In this work the lifetimes of three excited states of 15O were measured using the Doppler shift attenuation method (DSAM) populating the states via the 3He(16O,alpha)15O reaction at a beam energy of 50 MeV. The low lifetime limit measurable using the DSAM is ˜1 fs. The lifetime of the 6.79 MeV state is near that limit, making this measurement challenging. A 1.8 fs upper limit (68.3% C.L.) on this lifetime is reported here. In addition we measured the lifetimes of the 6.17 and 6.86 MeV state in 15O which were < 2.5 fs and 13.3+0.8-1.2 fs (68.3% C.L.) respectively. iii Acknowledgments

  1. Phobos surface spectra mineralogical modeling

    NASA Astrophysics Data System (ADS)

    Pajola, M.; Lazzarin, M.; Dalle Ore, C. M.; Cruikshank, D. P.; Roush, T. L.; Pendleton, Y.; Bertini, I.; Magrin, S.; Carli, C.; La Forgia, F.; Barbieri, C.

    2014-04-01

    A mineralogical model composed of a mixture of Tagish Lake meteorite (TL) and Pyroxene Glass (PM80) was presented in [1] to explain the surface reflectance of Phobos from 0.25 to 4.0 μm. The positive results we obtained, when comparing the OSIRIS data [2] extended in wavelength to include the [3,4] spectra, forced us to perform a wider comparison between our TL-PM80 model and the CRISM and OMEGA Phobos spectra presented in [5]. Such spectra cover three different regions of interest (ROIs) situated in the Phobos sub-Mars hemisphere: the interior of the Stickney crater, its eastern rim, and its proximity terrain southeast of the Reldresal crater. We decided to vary the percentage mixture of the components of our model (80% TL, 20% PM80), between pure TL and pure PM80, by means of the radiative transfer code based on the [6] formulation of the slab approximation. Once this spectral range was derived, see Fig. 1, we attempted to compare it with the [5] spectra between 0.4 and 2.6 μm, i.e. below the thermal emitted radiation, to see if any spectral match was possible. We observed that CRISM scaled spectra above 1.10 μm fall within pure Tagish Lake composition and the [1] model. The CRISM data below 1.10 μm present more discrepancies with our models, in particular for the Stickney's rim spectrum. Nevertheless the TL and PM80 components seem to be good mineralogical candidates on Phobos. We performed the same analysis with the OMEGA data and, again, we found out that the Stickney's rim spectrum lies out of our model range, while the two remaining spectra still lie between pure TL and 80% TL - 20% PM80, but indicating that a different, more complicated mixture is expected in order to explain properly both the spectral trend and the possible absorption bands located above 2.0 μm. Within this analysis, we point out that a big fraction of TL material (modeled pure or present with a minimum percentage of 80% mixed together with 20% PM80) seems to explain Phobos spectral

  2. Pulse Electron Double Resonance Detected Multinuclear NMR Spectra of Distant and Low Sensitivity Nuclei and Its Application to the Structure of Mn(II) Centers in Organisms.

    PubMed

    Bruch, Eduardo M; Warner, Melissa T; Thomine, Sébastien; Tabares, Leandro C; Un, Sun

    2015-10-29

    The ability to characterize the structure of metal centers beyond their primary ligands is important to understanding their chemistry. High-magnetic-field pulsed electron double resonance detected NMR (ELDOR-NMR) is shown to be a very sensitive approach to measuring the multinuclear NMR spectra of the nuclei surrounding Mn(II) ions. Resolved spectra of intact organisms with resonances arising from (55)Mn, (31)P, (1)H, (39)K, (35)Cl, (23)Na, and (14)N nuclei surrounding Mn(2+) centers were obtained. Naturally abundant cellular (13)C could be routinely measured as well. The amplitudes of the (14)N and (2)H ELDOR-NMR spectra were found to be linearly dependent on the number of nuclei in the ligand sphere. The evolution of the Mn(II) ELDOR-NMR spectra as a function of excitation time was found to be best described by a saturation phenomenon rather than a coherently driven process. Mn(II) ELDOR-NMR revealed details about not only the immediate ligands to the Mn(II) ions but also more distant nuclei, providing a view of their extended structures. This will be important for understanding the speciation and chemistry of the manganese complexes as well as other metals found in organisms.

  3. Polarization enhanced Nuclear Quadrupole Resonance with an atomic magnetometer

    NASA Astrophysics Data System (ADS)

    Malone, Michael W.; Barrall, Geoffrey A.; Espy, Michelle A.; Monti, Mark C.; Alexson, Dimitri A.; Okamitsu, Jeffrey K.

    2016-05-01

    Nuclear Quadrupole Resonance (NQR) has been demonstrated for the detection of 14-N in explosive compounds. Application of a material specific radio-frequency (RF) pulse excites a response typically detected with a wire- wound antenna. NQR is non-contact and material specific, however fields produced by NQR are typically very weak, making demonstration of practical utility challenging. For certain materials, the NQR signal can be increased by transferring polarization from hydrogen nuclei to nitrogen nuclei using external magnetic fields. This polarization enhancement (PE) can enhance the NQR signal by an order of magnitude or more. Atomic magnetometers (AM) have been shown to improve detection sensitivity beyond a conventional antenna by a similar amount. AM sensors are immune to piezo-electric effects that hamper conventional NQR, and can be combined to form a gradiometer for effective RF noise cancellation. In principle, combining polarization enhancement with atomic magnetometer detection should yield improvement in signal-to-noise ratio that is the product of the two methods, 100-fold or more over conventional NQR. However both methods are even more exotic than traditional NQR, and have never been combined due to challenges in operating a large magnetic field and ultra-sensitive magnetic field sensor in proximity. Here we present NQR with and without PE with an atomic magnetometer, demonstrating signal enhancement greater than 20-fold for ammonium nitrate. We also demonstrate PE for PETN using a traditional coil for detection with an enhancement factor of 10. Experimental methods and future applications are discussed.

  4. Theoretical 13C chemical shift, 14N, and 2H quadrupole coupling- constant studies of hydrogen bonding in L-alanylglycine dipeptide.

    PubMed

    Tafazzoli, M; Amini, S K

    2008-04-01

    (13)C chemical shieldings and (14)N and (2)H electric field gradient (EFG) tensors of L-alanylglycine (L-alagly) dipeptide were calculated at RHF/6-31 + + G** and B3LYP/6-31 + + G** levels of theory respectively. For these calculations a crystal structure of this dipeptide obtained from X-ray crystallography was used. Atomic coordinates of different clusters containing several L-alagly molecules were used as input files for calculations. These clusters consist of central and surrounding L-alagly molecules, the latter forming short, strong, hydrogen bonds with the central molecule. Since the calculations did not converge for these clusters, the surrounding L-alagly molecules were replaced by glycine molecules. In order to improve the accuracy of calculated chemical shifts and nuclear quadrupole coupling constants (NQCCs), different geometry-optimization strategies were applied for hydrogen nuclei. Agreement between calculated and experimental data confirms that our optimized coordinates for hydrogen nuclei are more accurate than those obtained by X-ray diffraction.

  5. beta1,4-N-Acetylglucosaminyltransferase III potentiates beta1 integrin-mediated neuritogenesis induced by serum deprivation in Neuro2a cells.

    PubMed

    Shigeta, Masaki; Shibukawa, Yukinao; Ihara, Hideyuki; Miyoshi, Eiji; Taniguchi, Naoyuki; Gu, Jianguo

    2006-06-01

    Aspects of the biological significance of the bisecting N-acetylglucosamine (GlcNAc) structure on N-glycans introduced by beta1,4-N-acetylglucosaminyltransferase III (GnT-III) in Neuro2a cell differentiation are demonstrated. The overexpression of GnT-III in the cells led to the induction of axon-like processes with numerous neurites and swellings, in which beta1 integrin was localized, under conditions of serum starvation. This enhancement in neuritogenesis was suppressed by either the addition of a bisecting GlcNAc-containing N-glycan or erythroagglutinating phytohemagglutinin (E(4)-PHA), which preferentially recognizes the bisecting GlcNAc. GnT-III-promoted neuritogenesis was also significantly perturbed by treatment with a functional blocking anti-beta1 integrin antibody. In fact, beta1 integrin was found to be one of the target proteins of GnT-III, as confirmed by a pull-down assay with E(4)-PHA. These data suggest that N-glycans with a bisecting GlcNAc on target molecules, such as beta1 integrin, play important roles in the regulation of neuritogenesis. PMID:16531477

  6. Haldane-gap excitations in the low-Hc one-dimensional quantum antiferromagnet Ni(C5D14N2)2N3(PF6)

    NASA Astrophysics Data System (ADS)

    Zheludev, A.; Chen, Y.; Broholm, C. L.; Honda, Z.; Katsumata, K.

    2001-03-01

    Inelastic neutron scattering on deuterated single-crystal samples is used to study Haldane-gap excitations in the new S=1 one-dimensional quantum antiferromagnet Ni(C5D14N2)2N3(PF6), that was recently recognized as an ideal model system for high-field studies. The Haldane gap energies Δx=0.42(3) meV, Δy=0.52(6) meV, and Δz=1.9(1) meV, for excitations polarized along the a, b, and c crystallographic axes, respectively, are measured. The dispersion relation is studied for momentum transfers both along and perpendicular to the chains' direction. The in-chain exchange constant J=2.8 meV is found to be much larger than interchain coupling, Jy=1.8(4)×10-3 meV and Jx=4(3)×10-4 meV, along the b and a axes, respectively. The results are discussed in the context of future experiments in high magnetic fields.

  7. Earth's magnetic field enabled scalar coupling relaxation of 13C nuclei bound to fast-relaxing quadrupolar 14N in amide groups

    NASA Astrophysics Data System (ADS)

    Chiavazza, Enrico; Kubala, Eugen; Gringeri, Concetta V.; Düwel, Stephan; Durst, Markus; Schulte, Rolf F.; Menzel, Marion I.

    2013-02-01

    Scalar coupling relaxation, which is usually only associated with closely resonant nuclei (e.g., 79Br-13C), can be a very effective relaxation mechanism. While working on hyperpolarized [5-13C]glutamine, fast liquid-state polarization decay during transfer to the MRI scanner was observed. This behavior could hypothetically be explained by substantial T1 shortening due to a scalar coupling contribution (type II) to the relaxation caused by the fast-relaxing quadrupolar 14N adjacent to the 13C nucleus in the amide group. This contribution is only effective in low magnetic fields (i.e., less than 800 μT) and prevents the use of molecules bearing the 13C-amide group as hyperpolarized MRS/MRI probes. In the present work, this hypothesis is explored both theoretically and experimentally. The results show that high hyperpolarization levels can be retained using either a 15N-labeled amide or by applying a magnetic field during transfer of the sample from the polarizer to the MRI scanner.

  8. Sensitive measurement of NH4+ 15N/14N (delta 15NH4+) at natural abundance levels in fresh and saltwaters.

    PubMed

    Zhang, Lin; Altabet, Mark A; Wu, Taixing; Hadas, Ora

    2007-07-15

    We report a new method for determining the 15N/14N of NH4+ at natural abundance level in both freshwater and seawater. NH4+ is first quantitatively oxidized to NO2- by hypobromite (BrO-) at pH approximately 12. After the addition of sodium arsenite to consume excess BrO-, yield is verified by colorimetric NO2- determination. NO2- is further reduced to N2O using a 1:1 sodium azide and acetic acid buffer solution using previously established procedures. The product N2O is then analyzed for isotopic composition using a continuous flow purge and cryogenic trap system coupled to an isotope ratio mass spectrometer. Reliable delta 15N values (standard deviation is 0.3 per thousand or better) are obtained over an NH4+ concentration range of 0.5-10 microM using 20 mL volumes of either freshwater or seawater samples. Higher concentration samples are readily diluted to lower concentration. Preexisting NO2- is removed by treatment with sulfanilic acid. There is no interference from any of the nitrogen-containing compounds tested except short-chain aliphatic amino acids (i.e., glycine) which typically are present at very low environmental concentrations. As compared to published methods, our approach is more robust, readily applicable at low concentrations and small sample volumes, and requires less time for preparation and analysis.

  9. Eigenvectors of optimal color spectra.

    PubMed

    Flinkman, Mika; Laamanen, Hannu; Tuomela, Jukka; Vahimaa, Pasi; Hauta-Kasari, Markku

    2013-09-01

    Principal component analysis (PCA) and weighted PCA were applied to spectra of optimal colors belonging to the outer surface of the object-color solid or to so-called MacAdam limits. The correlation matrix formed from this data is a circulant matrix whose biggest eigenvalue is simple and the corresponding eigenvector is constant. All other eigenvalues are double, and the eigenvectors can be expressed with trigonometric functions. Found trigonometric functions can be used as a general basis to reconstruct all possible smooth reflectance spectra. When the spectral data are weighted with an appropriate weight function, the essential part of the color information is compressed to the first three components and the shapes of the first three eigenvectors correspond to one achromatic response function and to two chromatic response functions, the latter corresponding approximately to Munsell opponent-hue directions 9YR-9B and 2BG-2R.

  10. Hierarchical analysis of molecular spectra

    SciTech Connect

    Davis, M.J.

    1996-03-01

    A novel representation of molecular spectra in terms of hierarchical trees has proven to be an important aid for the study of many significant problems in gas-phase chemical dynamics. Trees are generated from molecular spectra by monitoring the changes that occur in a spectrum as resolution is changed in a continuous manner. A tree defines a genealogy among all lines of a spectrum. This allows for a detailed understanding of the assignment of features of a spectrum that may be difficult to obtain any other way as well as an understanding of intramolecular energy transfer time scales, mechanisms, and pathways. The methodology has been applied to several problems: transition state spectroscopy, intramolecular energy transfer in highly excited molecules, high-resolution overtone spectroscopy, and the nature of the classical-quantum correspondence when there is classical chaos (``quantum chaos``).

  11. Catalogue of representative meteor spectra

    NASA Astrophysics Data System (ADS)

    Vojáček, V.; Borovička, J.; Koten, P.; Spurný, P.; Štork, R.

    2015-08-01

    Aims: We present a library of low-resolution meteor spectra that includes sporadic meteors, members of minor meteor showers, and major meteor showers. These meteors are in the magnitude range from +2 to -3, corresponding to meteoroid sizes from 1 mm to 10 mm. Methods: Parallel double-station video observations allowed us to compute heliocentric orbits for all meteors. Most observations were performed during the periods of activity of major meteor showers in the years between 2006 and 2012. Spectra are classified according to relative intensities of the low-temperature emission lines of Mg, Na, and Fe. Results: Shower meteors were found to be of normal composition, except for Southern δ Aquariids and some members of the Geminid shower, neither of which have Na in the meteor spectra. Variations in Na content are typical for the Geminid shower. Three populations of Na-free mereoroids were identified. The first population are iron meteorites, which have an asteroidal-chondritic origin, but one meteoroid with low perihelion (0.11 AU) was found among the iron meteorites. The second population were Sun-approaching meteoroids in which sodium is depleted by thermal desorption. The third population were Na-free meteoroids of cometary origin. Long exposure to cosmic rays on the surface of comets in the Oort cloud and disintegration of this crust might be the origin of this population of meteoroids. Spectra (Figs. 17-30) are only, Tables 4-6 are also available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/580/A67

  12. Accelerated Fitting of Stellar Spectra

    NASA Astrophysics Data System (ADS)

    Ting, Yuan-Sen; Conroy, Charlie; Rix, Hans-Walter

    2016-07-01

    Stellar spectra are often modeled and fitted by interpolating within a rectilinear grid of synthetic spectra to derive the stars’ labels: stellar parameters and elemental abundances. However, the number of synthetic spectra needed for a rectilinear grid grows exponentially with the label space dimensions, precluding the simultaneous and self-consistent fitting of more than a few elemental abundances. Shortcuts such as fitting subsets of labels separately can introduce unknown systematics and do not produce correct error covariances in the derived labels. In this paper we present a new approach—Convex Hull Adaptive Tessellation (chat)—which includes several new ideas for inexpensively generating a sufficient stellar synthetic library, using linear algebra and the concept of an adaptive, data-driven grid. A convex hull approximates the region where the data lie in the label space. A variety of tests with mock data sets demonstrate that chat can reduce the number of required synthetic model calculations by three orders of magnitude in an eight-dimensional label space. The reduction will be even larger for higher dimensional label spaces. In chat the computational effort increases only linearly with the number of labels that are fit simultaneously. Around each of these grid points in the label space an approximate synthetic spectrum can be generated through linear expansion using a set of “gradient spectra” that represent flux derivatives at every wavelength point with respect to all labels. These techniques provide new opportunities to fit the full stellar spectra from large surveys with 15–30 labels simultaneously.

  13. Accelerated Fitting of Stellar Spectra

    NASA Astrophysics Data System (ADS)

    Ting, Yuan-Sen; Conroy, Charlie; Rix, Hans-Walter

    2016-07-01

    Stellar spectra are often modeled and fitted by interpolating within a rectilinear grid of synthetic spectra to derive the stars’ labels: stellar parameters and elemental abundances. However, the number of synthetic spectra needed for a rectilinear grid grows exponentially with the label space dimensions, precluding the simultaneous and self-consistent fitting of more than a few elemental abundances. Shortcuts such as fitting subsets of labels separately can introduce unknown systematics and do not produce correct error covariances in the derived labels. In this paper we present a new approach—Convex Hull Adaptive Tessellation (chat)—which includes several new ideas for inexpensively generating a sufficient stellar synthetic library, using linear algebra and the concept of an adaptive, data-driven grid. A convex hull approximates the region where the data lie in the label space. A variety of tests with mock data sets demonstrate that chat can reduce the number of required synthetic model calculations by three orders of magnitude in an eight-dimensional label space. The reduction will be even larger for higher dimensional label spaces. In chat the computational effort increases only linearly with the number of labels that are fit simultaneously. Around each of these grid points in the label space an approximate synthetic spectrum can be generated through linear expansion using a set of “gradient spectra” that represent flux derivatives at every wavelength point with respect to all labels. These techniques provide new opportunities to fit the full stellar spectra from large surveys with 15-30 labels simultaneously.

  14. Variable spectra of active galaxies

    NASA Technical Reports Server (NTRS)

    Halpern, Jules P.

    1988-01-01

    The analysis of EXOSAT spectra of active galaxies are presented. The objects examined for X-ray spectral variability were MR 2251-178 and 3C 120. The results of these investigations are described, as well as additional results on X-ray spectral variability related to EXOSAT observations of active galaxies. Additionally, the dipping X-ray source 4U1624-49 was also investigated.

  15. Theoretical prediction of vibrational spectra

    NASA Astrophysics Data System (ADS)

    Niu, Zefu; Dunn, Kevin M.; Boggs, James E.

    The complete harmonic force field and the diagonal and first off-diagonal cubic constants of aniline have been calculated ab initio using a 4-21 basis set augmented by addition of d functions to the nitrogen atom. The force constants were then scaled using scale factors optimized previously to give the best fit to the similarly computed vibrational spectra of benzene and its deuterated isotopomers. The vibrational spectra of aniline, aniline-NHD, and aniline-ND2 were then calculated from this scaled quantum mechanical (SQM) force field and compared with experimentally observed spectra. Several corrections were made to previously proposed empirical spectral assignments. Because of computational difficulties, no definitive statement can be made about the torsion or inversion modes of the amino group. Aside from these and the C-H stretching frequencies for which the detailed assignment is still quite uncertain, the average deviation between the observed frequencies and those obtained entirely from the scaled computed force field is 9·1 cm-1. Dipole moment derivatives and infrared absorption intensities were also calculated, but these are of lower accuracy.

  16. Prediction of earthquake response spectra

    USGS Publications Warehouse

    Joyner, W.B.; Boore, David M.

    1982-01-01

    We have developed empirical equations for predicting earthquake response spectra in terms of magnitude, distance, and site conditions, using a two-stage regression method similar to the one we used previously for peak horizontal acceleration and velocity. We analyzed horizontal pseudo-velocity response at 5 percent damping for 64 records of 12 shallow earthquakes in Western North America, including the recent Coyote Lake and Imperial Valley, California, earthquakes. We developed predictive equations for 12 different periods between 0.1 and 4.0 s, both for the larger of two horizontal components and for the random horizontal component. The resulting spectra show amplification at soil sites compared to rock sites for periods greater than or equal to 0.3 s, with maximum amplification exceeding a factor of 2 at 2.0 s. For periods less than 0.3 s there is slight deamplification at the soil sites. These results are generally consistent with those of several earlier studies. A particularly significant aspect of the predicted spectra is the change of shape with magnitude (confirming earlier results by McGuire and by Irifunac and Anderson). This result indicates that the conventional practice of scaling a constant spectral shape by peak acceleration will not give accurate answers. The Newmark and Hall method of spectral scaling, using both peak acceleration and peak velocity, largely avoids this error. Comparison of our spectra with the Nuclear Regulatory Commission's Regulatory Guide 1.60 spectrum anchored at the same value at 0.1 s shows that the Regulatory Guide 1.60 spectrum is exceeded at soil sites for a magnitude of 7.5 at all distances for periods greater than about 0.5 s. Comparison of our spectra for soil sites with the corresponding ATC-3 curve of lateral design force coefficient for the highest seismic zone indicates that the ATC-3 curve is exceeded within about 7 km of a magnitude 6.5 earthquake and within about 15 km of a magnitude 7.5 event. The amount by

  17. The Trojan Horse Method as a tool to investigate low-energy resonances: the {sup 18}O(p, {alpha}){sup 15}N and {sup 17}O(p, {alpha}){sup 14}N cases

    SciTech Connect

    La Cognata, M.; Sergi, M. L.; Spitaleri, C.; Cherubini, S.; Gulino, M.; Kiss, G.; Lamia, L.; Pizzone, R. G.; Romano, S.; Mukhamedzhanov, A.; Goldberg, V.; Tribble, R.; Coc, A.; Hammache, F.; Sereville, N. de; Tumino, A.

    2010-08-12

    The {sup 18}O(p, {alpha}){sup 15}N and {sup 17}O(p, {alpha}){sup 14}N reactions are of primary importance in several as-trophysical scenarios, including nucleosynthesis inside Asymptotic Giant Branch stars and oxygen and nitrogen isotopic ratios in meteorite grains. They are also key reactions to understand exotic systems such as R-Coronae Borealis stars and novae. Thus, the measurement of their cross sections in the low energy region can be crucial to reduce the nuclear uncertainty on theoretical predictions, because the resonance parameters are poorly determined. The Trojan Horse Method, in its newly developed form particularly suited to investigate low-energy resonances, has been applied to the {sup 2}H({sup 18}O, {alpha}{sup 15}N)n and {sup 2}H({sup 17}O, {alpha}{sup 14}N)n reactions to deduce the {sup 18}O(p, {alpha}){sup 15}N and {sup 17}O(p, {alpha}){sup 14}N cross sections at low energies. Resonances in the {sup 18}O(p, {alpha}){sup 15}N and {sup 17}O(p, {alpha}){sup 14}N excitation functions have been studied and the resonance parameters deduced.

  18. Radical Prostatectomy versus External Beam Radiotherapy for cT1-4N0M0 Prostate Cancer: Comparison of Patient Outcomes Including Mortality

    PubMed Central

    Taguchi, Satoru; Fukuhara, Hiroshi; Shiraishi, Kenshiro; Nakagawa, Keiichi; Morikawa, Teppei; Kakutani, Shigenori; Takeshima, Yuta; Miyazaki, Hideyo; Fujimura, Tetsuya; Nakagawa, Tohru; Kume, Haruki; Homma, Yukio

    2015-01-01

    Background Although radical prostatectomy (RP) and external beam radiotherapy (EBRT) have been considered as comparable treatments for localized prostate cancer (PC), it is controversial which treatment is better. The present study aimed to compare outcomes, including mortality, of RP and EBRT for localized PC. Methods We retrospectively analyzed 891 patients with cT1-4N0M0 PC who underwent either RP (n = 569) or EBRT (n = 322) with curative intent at our single institution between 2005 and 2012. Of the EBRT patients, 302 (93.8%) underwent intensity-modulated radiotherapy. Primary endpoints were overall survival (OS) and cancer-specific survival (CSS). Related to these, other-cause mortality (OCM) was also calculated. Biochemical recurrence-free survival was assessed as a secondary endpoint. Cox proportional hazards model was used for multivariate analysis. Results Median follow-up durations were 53 and 45 months, and median ages were 66 and 70 years (P <0.0001), in the RP and EBRT groups, respectively. As a whole, significantly better prognoses of the RP group than the EBRT group were observed for both OS and CSS, although OCM was significantly higher in the EBRT group. There was no death from PC in men with low and intermediate D’Amico risks, except one with intermediate-risk in the EBRT group. In high-risk patients, significantly more patients died from PC in the EBRT group than the RP group. Multivariate analysis demonstrated the RP group to be an independent prognostic factor for better CSS. On the other hand, the EBRT group had a significantly longer biochemical recurrence-free survival than the RP group. Conclusions Mortality outcomes of both RP and EBRT were generally favorable in low and intermediate risk patients. Improvement of CSS in high risk patients was seen in patients receiving RP over those receiving EBRT. PMID:26506569

  19. Analysis of microearthquakes at the non-transform offset of the Mid-Atlantic Ridge hosting the Rainbow hydrothermal system (36°14'N)

    NASA Astrophysics Data System (ADS)

    Horning, G.; Canales, J. P.; Sohn, R. A.; Dunn, R. A.

    2015-12-01

    The Rainbow hydrothermal field is an active, ultramafic-hosted system located on the Mid-Atlantic Ridge (MAR) at 36° 14'N. It is located at a non-transform discontinuity (NTD) of the MAR at the AMAR-AMAR minor segment intersection [German et al., 1996]. Rainbow, in contrast to other ultramafic-hosted systems such as Lost City, is a high-temperature site with fluids up to 365 °C [Douville et al., 2002]. A magmatic heat source must be present to account for the long-lived, high-temperature, heat flux of 1-5 GW [Thurnherr and Richards, 2001], but the nearest, known neovolcanic activity is 15-20 km away on the AMAR segment [German and Parson, 1998]. In 2013, a long-term, ocean bottom seismometer (OBS) microearthquake network of 13 instruments was deployed as part of the MARINER geophysical experiment [Dunn et al., 2013]. Over 40,000 events were detected and located within ~16 km of the active hydrothermal field during the ~200 day deployment. We present hypocenters estimated using P- and S-wave arrival times and a crustal velocity model derived from the active-source tomography component of the MARINER experiment. Moment/magnitude estimates from spectral methods indicate that the majority of events have local magnitudes (ML) of 0-1, with the largest events approaching ML ~2. First arrival polarity data demonstrate that many of the events have non-double couple source mechanisms, and we explore the use of P/S-wave amplitude ratios to constrain these focal mechanisms. The detection of predominantly non-double events indicates processes other than simple fault slip (e.g., serpentinization) are contributing to the observed seismicity and deformation. We use the spatial distribution, magnitudes, rate, and source mechanisms of the seismic events to constrain the coupled processes of hydrothermal circulation and deformation at the Rainbow massif.

  20. Modelling of hydrothermal fluid circulation in a heterogeneous medium: Application to the Rainbow Vent site (Mid-Atlantic-Ridge, 36°14N)

    NASA Astrophysics Data System (ADS)

    Perez, F.; Mügler, C.; Jean-Baptiste, P.; Charlou, J. L.

    2012-04-01

    Hydrothermal activity at the axis of mid-ocean ridges is a key driver for energy and matter transfer from the interior of the Earth to the ocean floor. At mid-ocean ridges, seawater penetrates through the permeable young crust, warms at depth and exchanges chemicals with the surrounding rocks. This hot fluid focuses and flows upwards, then is expelled from the crust at hydrothermal vent sites in the form of black or white smokers completed by diffusive emissions. We developed a new numerical tool in the Cast3M software framework to model such hydrothermal circulations. Thermodynamic properties of one-phase pure water were calculated from the IAPWS formulation. This new numerical tool was validated on several test cases of convection in closed-top and open-top boxes. Simulations of hydrothermal circulation in a homogeneous-permeability porous medium also gave results in good agreement with already published simulations. We used this new numerical tool to construct a geometric and physical model configuration of the Rainbow Vent site at 36°14'N on the Mid-Atlantic Ridge. In this presentation, several configurations will be discussed, showing that high temperatures and high mass fluxes measured at the Rainbow site cannot be modelled with hydrothermal circulation in a homogeneous-permeability porous medium. We will show that these high values require the presence of a fault or a preferential pathway right below the venting site. We will propose and discuss a 2-D one-path model that allows us to simulate both high temperatures and high mass fluxes. This modelling of the hydrothermal circulation at the Rainbow site constitutes a first but necessary step to understand the origin of high concentrations of hydrogen issued from this ultramafic-hosted vent field.

  1. 13C/12C and 15N/14N Isotope Analysis to Characterize Natural Degradation of Atrazine: Evidence from Parent and Daughter Compound Values

    NASA Astrophysics Data System (ADS)

    Elsner, Martin; Meyer, Armin

    2013-04-01

    The mobile and still herbicidal metabolites desethylatrazine (DEA) and desisopropylatrazine (DIA) are frequently detected together with its parent compound atrazine (Atz) in the aquatic environment. Interpretation of their transformation state is often difficult with current methods, which are mainly measuring concentrations. Alternatively, compound specific isotope analyses (CSIA) has become a novel tool to detect degradation processes of contaminants in groundwater. The aim of our study was to investigate on the lab scale 13C/12C and 15N/14N isotope trends in parent and daughter compounds associated with different degradation scenarios of atrazine likely to occur in the environment. Thus atrazine was dealkylated with (i) permanganate and (ii) the bacterium Rhodococcus sp. NI86/21. In both transformations, 13C/12C ratios of atrazine increased strongly (epsilon carbon/permanganate = -4.6 ± 0.6 ‰ and epsilon carbon/Rhodoccoccus = -3.8 ± 0.2 ‰) whereas nitrogen isotope fractionation was small. 13C/12C ratios of DEA showed the following trends. (i) When DEA was formed as only product (Atz + permanganate) 13C/12C remained constant, close to the initial value of Atz. (ii) When DEA was formed together with deisopropylatrazine (biodegradation of Atz) 13C/12C increased, but only within 2‰. (iii) When DEA and DIA was further biodegraded, 13C/12C increased for both metabolites up to 9‰. Thus strong enrichment of 13C/12C in the metabolites in comparison to Atz can give strong testimony for further breakdown of the metabolite.

  2. Action spectra for photosynthetic inhibition

    NASA Technical Reports Server (NTRS)

    Caldwell, M. M.; Flint, S.; Camp, L. B.

    1981-01-01

    The ultraviolet action spectrum for photosynthesis inhibition was determined to fall between that of the general DNA action spectrum and the generalized plant action spectrum. The characteristics of this action spectrum suggest that a combination of pronounced increase in effectiveness with decreasing wavelength, substantial specificity for the UV-B waveband, and very diminished response in the UV-A waveband result in large radiation amplification factors when the action spectra are used as weighting functions. Attempted determination of dose/response relationships for leaf disc inhibition provided inconclusive data from which to deconvolute an action spectrum.

  3. DUO: Spectra of diatomic molecules

    NASA Astrophysics Data System (ADS)

    Yurchenko, Sergei N.; Lodi, Lorenzo; Tennyson, Jonathan; Stolyarov, Andrey V.

    2016-05-01

    Duo computes rotational, rovibrational and rovibronic spectra of diatomic molecules. The software, written in Fortran 2003, solves the Schrödinger equation for the motion of the nuclei for the simple case of uncoupled, isolated electronic states and also for the general case of an arbitrary number and type of couplings between electronic states. Possible couplings include spin-orbit, angular momenta, spin-rotational and spin-spin. Introducing the relevant couplings using so-called Born-Oppenheimer breakdown curves can correct non-adiabatic effects.

  4. DUO: Spectra of diatomic molecules

    NASA Astrophysics Data System (ADS)

    Yurchenko, Sergei N.; Lodi, Lorenzo; Tennyson, Jonathan; Stolyarov, Andrey V.

    2016-05-01

    Duo computes rotational, rovibrational and rovibronic spectra of diatomic molecules. The software, written in Fortran 2003, solves the Schrödinger equation for the motion of the nuclei for the simple case of uncoupled, isolated electronic states and also for the general case of an arbitrary number and type of couplings between electronic states. Possible couplings include spin–orbit, angular momenta, spin-rotational and spin–spin. Introducing the relevant couplings using so-called Born–Oppenheimer breakdown curves can correct non-adiabatic effects.

  5. Gamma-ray burst spectra

    NASA Technical Reports Server (NTRS)

    Teegarden, B. J.

    1982-01-01

    A review of recent results in gamma-ray burst spectroscopy is given. Particular attention is paid to the recent discovery of emission and absorption features in the burst spectra. These lines represent the strongest evidence to date that gamma-ray bursts originate on or near neutron stars. Line parameters give information on the temperature, magnetic field and possibly the gravitational potential of the neutron star. The behavior of the continuum spectrum is also discussed. A remarkably good fit to nearly all bursts is obtained with a thermal-bremsstrahlung-like continuum. Significant evolution is observed of both the continuum and line features within most events.

  6. Microwave spectra, molecular structure, and aromatic character of 4a,8a-azaboranaphthalene

    NASA Astrophysics Data System (ADS)

    Pejlovas, Aaron M.; Daly, Adam M.; Ashe, Arthur J.; Kukolich, Stephen G.

    2016-03-01

    The microwave spectra for seven unique isotopologues of 4a,8a-azaboranaphthalene [hereafter referred to as BN-naphthalene] were measured using a pulsed-beam Fourier transform microwave spectrometer. Spectra were obtained for the normal isotopologues with 10B, 11B, and all unique single 13C and the 15N isotopologue (with 11B), in natural abundance. The rotational, centrifugal distortion and quadrupole coupling constants determined for the 11B14N isotopologue are A = 3042.712 75(43) MHz, B = 1202.706 57(35) MHz, C = 862.220 13(35) MHz, DJ = 0.06(1) kHz, 1.5χaa (14N) = 2.5781(61) MHz, 0.25(χbb - χcc) (14N) = - 0.1185(17) MHz, 1.5χaa (11B) = - 3.9221(75) MHz, and 0.25(χbb - χcc) (11B) = - 0.9069(24) MHz. The experimental inertial defect is Δ = - 0.159 amu Å2, which is consistent with a planar structure for the molecule. The B—N bond length from the experimentally determined structure is 1.47 Å, which indicates π-bonding character between the B and N. The measured quadrupole coupling strengths provide important and useful information about the bonding, orbital occupancy, and aromatic character for this aromatic molecule. Extended Townes-Dailey analyses were used to determine the B and N electron sp2-hybridized and p-orbital occupations. These results are compared with electron orbital occupations from the natural bond orbital option in theoretical calculations. From the analyses, it was determined that BN-naphthalene has aromatic character similar to that of other N-containing aromatics. The results are compared with similar results for B—N bonding in 1,2-dihydro-1,2-azaborine and BN-cyclohexene. Accurate and precise structural parameters were obtained from the microwave measurements on seven isotopologues and from high-level G09 calculations.

  7. Synthesis and Characterization of New Iron Phosphatooxalates: [( - 5H 14N 2] [Fe 4(C 2O 4) 3(HPO 4) 2(H 2O) 2] and [( - 5H 14N 2] [Fe 4(C 2O 4) 3(HPO 4) 2

    NASA Astrophysics Data System (ADS)

    Chang, Wen-Jung; Lin, Hsiu-Mei; Lii, Kwang-Hwa

    2001-02-01

    Two new organically templated iron(II) phosphatooxalates, [(S)-C5H14N2] [Fe4(C2O4)3(HPO4)2(H2O)2] (1) and [(S)-C5H14 N2] [Fe4(C2O4)3(HPO4)2] (2), have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction and Mössbauer spectroscopy. Crystal data are as follows: compound 1, triclinic, P1 (No. 1), a=7.6999(4) Å, b=7.9542(4) Å, c=9.8262(5) Å, α=74.8444(7)°, β=81.7716(8)°, γ=85.4075(8)°, V=574.34(8) Å3, Z=1, and R1=0.0255; compound 2, monoclinic, P21 (No. 4), a=7.5943(8) Å, b=7.8172(8) Å, c=18.318(2) Å, β=99.111(2)°, V=1073.8(3) Å3, Z=2, and R1=0.0281. The structure of 1 consists of dimers of edge-sharing FeO6 octahedra that are linked by phosphate and oxalate groups to generate a three-dimensional framework with intersecting tunnels parallel to the [100] and [010] directions. Diprotonated (S)-2-methylpiperazinium cations are located at the intersections of these tunnels. Compound 1 crystallizes as a minor product when a racemic mixture of 2-methylpiperazine is used in the synthesis, and can be prepared as a major product with a small amount of 2 if optically pure (S)-2-methylpiperzine is used. The structure of 2 is similar to that of 1 except that the coordination around the iron centers in the dimer are square pyramidal and octahedral. The two compounds are the first 3-dimensional phosphatooxalates containing a chiral amine.

  8. MILLIMETER-WAVE OBSERVATIONS OF CN AND HNC AND THEIR {sup 15}N ISOTOPOLOGUES: A NEW EVALUATION OF THE {sup 14}N/{sup 15}N RATIO ACROSS THE GALAXY

    SciTech Connect

    Adande, G. R.; Ziurys, L. M.

    2012-01-10

    The N = 1 {yields} 0 transitions of CN and C{sup 15}N (X{sup 2}{Sigma}{sup +}), as well as the J = 1 {yields} 0 lines of HN{sup 13}C and H{sup 15}NC, have been observed toward 11 molecular clouds using the new 3 mm ALMA-type receiver of the 12 m telescope of the Arizona Radio Observatory. These sources span a wide range of distances from the Galactic center and are all regions of star formation. From these observations, {sup 14}N/{sup 15}N ratios have been determined using two independent methods. First, the measurements of C{sup 14}N and C{sup 15}N were directly compared to establish this ratio, correcting for high opacities when needed, as indicated by the nitrogen hyperfine intensities. Second, the ratio was calculated from the quantity [HN{sup 13}C]/[H{sup 15}NC], determined from the HNC data, and then scaled by {sup 12}C/{sup 13}C ratios previously established, i.e., the so-called double isotope method. Values from both methods are in reasonable agreement, and fall in the range {approx}120-400, somewhat lower than previous {sup 14}N/{sup 15}N ratios derived from HCN. The ratios exhibit a distinct positive gradient with distance from the Galactic center, following the relationship{sup 14}N/{sup 15}N = 21.1 (5.2) kpc{sup -1} D{sub GC} + 123.8 (37.1). This gradient is consistent with predictions of Galactic chemical evolution models in which {sup 15}N has a secondary origin in novae, while primary and secondary sources exist for {sup 14}N. The local interstellar medium value was found to be {sup 4}N/{sup 15}N = 290 {+-} 40, in agreement with the ratio found in nearby diffuse clouds and close to the value of 272 found in Earth's atmosphere.

  9. An RGB approach to extraordinary spectra

    NASA Astrophysics Data System (ADS)

    Grusche, Sascha; Theilmann, Florian

    2015-09-01

    After Newton had explained a series of ordinary spectra and Goethe had pointed out its complementary counterpart, Nussbaumer discovered a series of extraordinary spectra which are geometrically identical and colourwise analogous to Newton’s and Goethe’s spectra. To understand the geometry and colours of extraordinary spectra, the wavelength composition is explored with filters and spectroscopic setups. Visualized in a dispersion diagram, the wavelength composition is interpreted in terms of additive colour mixing. Finally, all spectra are simulated as the superposition of red, green, and blue images that are shifted apart. This RGB approach makes it easy to understand the complex relationship between wavelengths and colours.

  10. Brane Constructions and BPS Spectra

    NASA Astrophysics Data System (ADS)

    Rastogi, Ashwin

    The object of this work is to exploit various constructions of string theory and M-theory to yield new insights into supersymmetric theories in both four and three dimensions. In 4d, we extend work on Seiberg-Witten theory to study and compute BPS spectra of the class of complete N = 2 theories. The approach we take is based on the program of geometric engineering, in which 4d theories are constructed from compactifications of type IIB strings on Calabi-Yau manifolds. In this setup, the natural candidates for BPS states are D3 branes wrapped on supersymmetric 3-cycles in the Calabi-Yau. Our study makes use of the mathematical structure of quivers, whose representation theory encodes the notion of stability of BPS particles. Except for 11 exceptional cases, all complete theories can be constructed by wrapping stacks of two M5 branes on Riemann surfaces. By exploring the connection between quivers and M5 brane theories, we develop a powerful algorithm for computing BPS spectra, and give an in-depth study of its applications. In particular, we compute BPS spectra for all asymptotically free complete theories, as well as an infinite set of conformal SU(2)k theories with certain matter content. From here, we go on to apply the insight gained from our 4d study to 3d gauge theories. We consider the analog of the M5 brane construction in the case of 3d N = 2 theories: pairs of M5 branes wrapped on a 3-manifold. Using the ansantz of R-flow, we study 3-manifolds consisting of Riemann surfaces fibered over R. When the construction is non-singular, the resulting IR physics is described by a free abelian Chern-Simons theory. The mathematical data of a tangle captures the data of the gauge theory, and the Reidemeister equivalances on tangles correspond to dualities of physical descriptions. To obtain interacting matter, we allow singularities in the construction. By extending the tangle description to these singular cases, we find a set of generalized Reidemeister moves that

  11. Pressure spectra and cross spectra at an area contraction in a ducted combustion system

    NASA Technical Reports Server (NTRS)

    Miles, J. H.; Raftopoulos, D. D.

    1980-01-01

    Pressure spectra and cross-spectra at an area contraction in a liquid fuel, ducted, combustion noise test facility are analyzed. Measurements made over a range of air and fuel flows are discussed. Measured spectra are compared with spectra calculated using a simple analytical model.

  12. Reflectance spectra of primitive chondrites

    NASA Astrophysics Data System (ADS)

    Trigo-Rodríguez, J. M.; Moyano-Cambero, C. E.; Llorca, J.

    2013-05-01

    We are studying a wide sample of pristine carbonaceous chondrites from the NASA Antarctic collection in order to get clues on the physico-chemical processes occurred in the parent bodies of these meteorites. We are obtaining laboratory reflectance spectra of different groups of carbonaceous chondrites, but here we focus in CM and CI chondrites. We discuss the main spectral features that can be used to identify primitive carbonaceous asteroids by remote sensing techniques. Two different spectrometers were used covering the entire 0.3 to 30 μm electromagnetic window. Only a handful of Near Earth Objects (NEOs) exhibit bands or features clearly associated with aqueous alteration. Among them are the target asteroids of Osiris Rex and Marco Polo-R missions.

  13. Graviton spectra in string cosmology

    SciTech Connect

    Galluccio, Massimo; Litterio, Marco; Occhionero, Franco

    1996-08-01

    We propose to uncover the signature of a stringy era in the primordial Universe by searching for a prominent peak in the relic graviton spectrum. This feature, which in our specific model terminates an ω³ increase and initiates an ω⁻⁷ decrease, is induced during the so far overlooked bounce of the scale factor between the collapsing deflationary era (or pre-Big Bang) and the expanding inflationary era (or post-Big Bang). We evaluate both analytically and numerically the frequency and the intensity of the peak and we show that they may likely fall in the realm of the new generation of interferometric detectors. The existence of a peak is at variance with ordinarily monotonic (either increasing or decreasing) graviton spectra of canonical cosmologies; its detection would therefore offer strong support to string cosmology.

  14. Graviton Spectra in String Cosmology

    SciTech Connect

    Galluccio, M.; Occhionero, F.; Litterio, M.

    1997-08-01

    We propose to uncover the signature of a stringy era in the primordial Universe by searching for a prominent peak in the relic graviton spectrum. This feature, which in our specific model terminates an {omega}{sup 3} increase and initiates an {omega}{sup {minus}7} decrease, is induced during the so far overlooked bounce of the scale factor between the collapsing deflationary era (or pre{endash}big bang) and the expanding inflationary era (or post{endash}big bang). The frequency and the intensity of the peak may likely fall in the realm of the new generation of interferometric detectors. The existence of a peak, at variance with ordinarily monotonic graviton spectra, would therefore offer strong support to string cosmology. {copyright} {ital 1997} {ital The American Physical Society}

  15. Line Coupling in Atmospheric Spectra

    NASA Technical Reports Server (NTRS)

    Tipping, R. H.

    1996-01-01

    The theoretical modeling of atmospheric spectra is important for a number of different applications: for instance, in the determination of minor atmospheric constituents such as ozone, carbon dioxide, CFC's etc.; in monitoring the temperature profile for climate studies; and in measuring the incoming and outgoing radiation to input into global climate models. In order to accomplish the above mentioned goal, one needs to know the spectral parameters characterizing the individual spectral lines (frequency, width, strength, and shape) as well as the physical parameters of the atmosphere (temperature, abundances, and pressure). When all these parameters are known, it is usually assumed that the resultant spectra and concomitant absorption coefficient can then be calculated by a superposition of individual profiles of appropriate frequency, strength and shape. However, this is not true if the lines are 'coupled'. Line coupling is a subtle effect that takes place when lines of a particular molecule overlap in frequency. In this case when the initial states and the final states of two transitions are connected by collisions, there is a quantum interference resulting in perturbed shapes. In general, this results in the narrowing of Q-branches (those in which the rotational quantum number does not change), and vibration-rotational R- and P branches (those in which the rotational quantum number changes by +/- 1), and in the spectral region beyond band heads (regions where the spectral lines pile up due to centrifugal distortion). Because these features and spectral regions are often those of interest in the determination of the abundances and pressure-temperature profiles, one must take this effect into account in atmospheric models.

  16. High-resolution spectra of comet C/2013 R1 (Lovejoy)

    NASA Astrophysics Data System (ADS)

    Rousselot, P.; Decock, A.; Jehin, E.; Manfroid, J.; Hutsemékers, D.

    2014-07-01

    Comet C/2013 R1 (Lovejoy) is a long-period comet discovered on 7 September 2013 by Terry Lovejoy with a 0.2-m telescope (Guido et al., 2013), it passed its perihelion (0.81 au) on 22 December 2013. It was a bright comet visible to the naked eye. We obtained high-resolution spectra of this comet immediately after its perihelion passage during 4 nights in the period 23-26 December 2013. These spectra have been obtained with the 3.5-m Telescopio Nazionale Galileo (TNG) and the High Accuracy Radial velocity Planet Searcher in North hemisphere (HARPS-N) echelle spectrograph. HARPS-N is an echelle spectrograph covering the spectral range from 383 to 693 nm, with a spectral resolution of R=115000 (Cosentino et al., 2012). It is designed to measure stellar radial velocities in view of detecting extrasolar planets. Our observations are the first successful cometary observations performed with this instrument. They demonstrate that this spectrograph can also be efficient for getting cometary spectra, even if the sensitivity of this instrument is low in the blue part of its spectral coverage. We will present the results of our data analysis for these spectra. This analysis is focused on isotopic ratios, mainly ^{12}C/^{13}C with C_2 emission lines (with the method described in Rousselot et al. 2012) and ^{14}N/^{15}N with ^{14}NH_2 and ^{15}NH_2 emission lines (with the line wavelengths given in Rousselot et al. 2014), atomic oxygen emission lines at 557.7, 630.0 and 636.4 nm (intensity ratios and widths, see Decock et al. 2013) and relative production rates of the detected species.

  17. Blind extraction of exoplanetary spectra

    NASA Astrophysics Data System (ADS)

    Morello, Giuseppe; Waldmann, Ingo P.; Tinetti, Giovanna

    2016-06-01

    In the last decade, remote sensing spectroscopy enabled characterization of the atmospheres of extrasolar planets. Transmission and emission spectra of tens of transiting exoplanets have been measured with multiple instruments aboard Spitzer and Hubble Space Telescopes as well as ground-based facilities, revealing the presence of atomic, ionic and molecular species in their atmospheres, and constraining their temperature and pressure profiles.Early analyses were somehow heuristic both in measuring the spectra and in their interpretation, leading to some controversies in the literature.A photometric precision of 0.01% is necessary to detect the atmospheric spectral modulations. Current observatories, except Kepler, were not designed to achieve this precision. Data reduction is necessary to minimize the effect of instrument systematics in order to achieve the target precision. In the past, parametric models have extensively been used by most teams to remove correlated noise with the aid of auxiliary information of the instrument, the so-called optical state vectors (OSVs). Such OSVs can include inter- and intra-pixel position of the star or its spectrum, instrument temperatures and inclinations, and/or other parameters. In some cases, different parameterizations led to discrepant results.We recommend the use of blind non-parametric data detrending techniques to overcome those issues. In particular, we adopt Independent Component Analysis (ICA), i.e. a blind source separation (BSS) technique to disentangle the multiple instrument systematics and astrophysical signals in transit/eclipse light curves. ICA does not require a model for the systematics, and for this reason, it can be applied to any instrument with little changes, if any. ICA-based algorithms have been applied to Spitzer/IRAC and synthetic observations in photometry (Morello et al. 2014, 2015, 2016; Morello 2015) and to Hubble/NICMOS and Spitzer/IRS in spectroscopy (Waldmann 2012, 2014, Waldmann et al. 2013

  18. Refractory sea salt CCN spectra

    NASA Astrophysics Data System (ADS)

    Noble, S.; Hudson, J. G.

    2012-12-01

    Hudson et al. (2011; H11) showed a substantial sea salt (NaCl) CCN contribution for low critical supersaturation (Sc) CCN (< 0.1%), which was a positive function of horizontal wind speed (U) at the ocean surface in the RICO project in the Caribbean. Somewhat similar results were found over the Pacific near California in spite of a factor of 3 higher average CCN concentrations. Results were obscured over the mid Pacific in PASE because of the lack of cloud scavenging (H11). The results were obtained by CCN spectral volatility measurements, which remove all but the refractory CCN that survive heating to 300 degrees C, which are only NaCl. Fig. 1 shows that ambient CCN concentrations were uncorrelated with U but that refractory CCN were correlated with U in RICO and POST. Fig. 2 compares low altitude average refractory CCN spectra during flights with various noted mean U. The two POST flights and the RICO flights displayed here show the same dependence on U that was quantified by H11. The higher concentrations for PASE in relation to U are due to the lack of cloud scavenging, which allowed higher concentrations to build up that are thus not related to the simultaneously measured U. The abundant clouds of RICO and POST provided enough removal of CCN that sea salt CCN were correlated with simultaneously measured U. These measurements have begun the quantification of this most definite natural CCN source. This is needed in order to assess the impact of anthropogenic CCN on clouds; i.e., the indirect aerosol effect. Hudson, J.G., S. Noble, and V. Jha, 2011: On the relative role of sea salt cloud condensation nuclei (CCN). J. Atmos. Chem. Volume 68, Number 1, Pages 71-88, DOI: 10.1007/s10874-011-9210-5. Fig. 1. Correlation coefficients (R) between CCN concentrations at various S and wind speed for ambient CCN (all) and refractory CCN. Fig. 2. Flight averaged refractory CCN spectra.

  19. CARBON-RICH PRESOLAR GRAINS FROM MASSIVE STARS: SUBSOLAR {sup 12}C/{sup 13}C AND {sup 14}N/{sup 15}N RATIOS AND THE MYSTERY OF {sup 15}N

    SciTech Connect

    Pignatari, M.; Zinner, E.; Hoppe, P.; Jordan, C. J.; Gibson, B. K.; Trappitsch, R.; Herwig, F.; Fryer, C.; Hirschi, R.; Timmes, F. X.

    2015-08-01

    Carbon-rich grains with isotopic anomalies compared to the Sun are found in primitive meteorites. They were made by stars, and carry the original stellar nucleosynthesis signature. Silicon carbide grains of Type X and C and low-density (LD) graphites condensed in the ejecta of core-collapse supernovae. We present a new set of models for the explosive He shell and compare them with the grains showing {sup 12}C/{sup 13}C and {sup 14}N/{sup 15}N ratios lower than solar. In the stellar progenitor H was ingested into the He shell and not fully destroyed before the explosion. Different explosion energies and H concentrations are considered. If the supernova shock hits the He-shell region with some H still present, the models can reproduce the C and N isotopic signatures in C-rich grains. Hot-CNO cycle isotopic signatures are obtained, including a large production of {sup 13}C and {sup 15}N. The short-lived radionuclides {sup 22}Na and {sup 26}Al are increased by orders of magnitude. The production of radiogenic {sup 22}Ne from the decay of {sup 22}Na in the He shell might solve the puzzle of the Ne-E(L) component in LD graphite grains. This scenario is attractive for the SiC grains of type AB with {sup 14}N/{sup 15}N ratios lower than solar, and provides an alternative solution for SiC grains originally classified as nova grains. Finally, this process may contribute to the production of {sup 14}N and {sup 15}N in the Galaxy, helping to produce the {sup 14}N/{sup 15}N ratio in the solar system.

  20. Dual element ((15)N/(14)N, (13)C/(12)C) isotope analysis of glyphosate and AMPA by derivatization-gas chromatography isotope ratio mass spectrometry (GC/IRMS) combined with LC/IRMS.

    PubMed

    Mogusu, Emmanuel O; Wolbert, J Benjamin; Kujawinski, Dorothea M; Jochmann, Maik A; Elsner, Martin

    2015-07-01

    To assess sources and degradation of the herbicide glyphosate [N-(phosphonomethyl) glycine] and its metabolite AMPA (aminomethylphosphonic acid), concentration measurements are often inconclusive and even (13)C/(12)C analysis alone may give limited information. To advance isotope ratio analysis of an additional element, we present compound-specific (15)N/(14)N analysis of glyphosate and AMPA by a two step derivatization in combination with gas chromatography/isotope ratio mass spectrometry (GC/IRMS). The N-H group was derivatized with isopropyl chloroformate (iso-PCF), and remaining acidic groups were subsequently methylated with trimethylsilyldiazomethane (TMSD). Iso-PCF treatment at pH <10 gave too low (15)N/(14)N ratios indicating an incomplete derivatization; in contrast, too high (15)N/(14)N ratios at pH >10 indicated decomposition of the derivative. At pH 10, and with an excess of iso-PCF by 10-24, greatest yields and accurate (15)N/(14)N ratios were obtained (deviation from elemental analyzer-IRMS: -0.2 ± 0.9% for glyphosate; -0.4 ± 0.7% for AMPA). Limits for accurate δ(15)N analysis of glyphosate and AMPA were 150 and 250 ng injected, respectively. A combination of δ(15)N and δ(13)C analysis by liquid chromatography/isotope ratio mass spectrometry (LC/IRMS) (1) enabled an improved distinction of commercial glyphosate products and (2) showed that glyphosate isotope values during degradation by MnO2 clearly fell outside the commercial product range. This highlights the potential of combined carbon and nitrogen isotopes analysis to trace sources and degradation of glyphosate.

  1. The RGB and AGB Star Nucleosynthesis in Light of the Recent 17O(p, α)14N and 18O(p, α)15N Reaction-rate Determinations

    NASA Astrophysics Data System (ADS)

    Palmerini, S.; Sergi, M. L.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Spitaleri, C.

    2013-02-01

    In recent years, the Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of proton-induced reactions on A = 17 and A = 18 oxygen isotopes, overcoming extrapolation procedures and enhancement effects due to electron screening. In particular, the strengths of the 20 keV and 65 keV resonances in the 18O(p, α)15N and 17O(p, α)14N reactions, respectively, have been extracted, as well as the contribution of the tail of the broad 656 keV resonance in the 18O(p, α)15N reaction inside the Gamow window. The strength of the 65 keV resonance in the 17O(p, α)14N reaction, measured by means of the THM, has been used to renormalize the corresponding resonance strength in the 17O + p radiative capture channel. As a result, more accurate reaction rates for the 18O(p, α)15N, 17O(p, α)14N, and 17O(p, γ)18F processes have been deduced, devoid of systematic errors due to extrapolation or the electron screening effect. Such rates have been introduced into state-of-the-art red giant branch and asymptotic giant branch (AGB) models for proton-capture nucleosynthesis coupled with extra-mixing episodes. The predicted abundances have been compared with isotopic compositions provided by geochemical analysis of presolar grains. As a result, an improved agreement is found between the models and the isotopic mix of oxide grains of AGB origins, whose composition is the signature of low-temperature proton-capture nucleosynthesis. The low 14N/15N found in SiC grains cannot be explained by the revised nuclear reaction rates and remains a serious problem that has not been satisfactorily addressed.

  2. Modelling asteroid spectra: few examples

    NASA Astrophysics Data System (ADS)

    Birlan, M.; Popescu, M.

    2011-10-01

    Asteroidal population comprises now more than 500,000 objects. Several observational techniques (spectroscopy, adaptive optics, photometry, polarimetry, radar,..) are used in order to obtain a mature understanding of an overall knowledge of this population. Spectroscopy can play a key role in determining the chemical composition and physical process that took place and modified the surface of asteroids. The development of telescopic instruments and the possibility to access them remotely allowed an increasing number of asteroid spectral measurements. The exploitation of spectral measurements is one of the important items to enlarge our science of surfaces of atmosphereless bodies. Spectral data of asteroids are in continuing growth. To exploit these spectral data we must account the global science of this population as well as the knowledge derived by studies of comparative planetology. The project M4AST (Modeling for Asteroids) consists in a database containing the results of these telescopic measurements and a set of applications for spectral analysis (Fig. 1). M4AST cover several aspects related to statistics of asteroids (taxonomy), mineralogical solutions using laboratory spectra from RELAB, and mineralogical modeling using space weathering effects corroborated with radiative transfer laws. M4AST was conceived to be available via a web interface and will be available for the scientific community. The abilities of these routines will be highlighted by few examples. Science derived via M4AST obtained for (222) Lucia, (809) Lundia, (810) Atossa, (1005) Arago, (1220) Crocus, and (4486) Mithra will be presented.

  3. Reflectance spectra of subarctic lichens

    NASA Technical Reports Server (NTRS)

    Petzold, Donald E.; Goward, Samuel N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the midlatitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 microns, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future.

  4. Band Spectra and Molecular Structure

    NASA Astrophysics Data System (ADS)

    Kronig, R. De L.

    2011-06-01

    Introduction; Part I. The Energy Levels of Diatomic Molecules and their Classification by Means of Quantum Numbers: 1. General foundations; 2. Wave mechanics of diatomic molecules; 3. Electronic levels; 4. Vibrational levels; 5. Rotational levels; 6. Stark and Zeeman effect; 7. Energy levels of polyatomic molecules; Part II. Fine Structure and Wave Mechanical Properties of the Energy Levels of Diatomic Molecules: 8. The perturbation function; 9. Rotational distortion of spin multiplets; 10. Fine structure; 11. Perturbations and predissociation; 12. Even and odd levels; 13. Symmetrical and antisymmetrical levels; Part III. Selection Rules and Intensities in Diatomic Molecules: 14. General foundations; 15. Electronic bands; 16. Vibrational bands; 17. Rotational bands; 18. Band spectra and nuclear structure; 19. Transitions in the Stark and Zeeman effect; Part IV. Macroscopic Properties of Molecular Gases: 20. Scattering; 21. Dispersion; 22. Kerr and Faraday effect; 23. Dielectric constants; 24. Magnetic susceptibilities; 25. Specific heats; Part V. Molecule Formation and Chemical Binding: 26. Heteropolar molecules; 27. Homopolar molecules. Chemical forces between two H-atoms and two He-atoms; 28. The general theory of homopolar compounds; Bibliography; Subject index.

  5. Interpretation of Nitroindolinospirobenzothiopyran Vibrational Spectra

    NASA Astrophysics Data System (ADS)

    Gladkov, L. L.; Khamchukov, Yu. D.; Lyubimov, A. V.

    2016-05-01

    The structures of four possible stereoisomers of the closed form of photochromic nitroindolinospirobenzothiopyran (NISTP) {1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzothiopyran-2,2'-(2H)-indoline]} were determined by the DFT method. The geometry of the most stable isomer was defined. Nitro-substitution changes mainly the lengths of bonds formed by S and N with spiro-atom Cs. According to the calculations, the CsS bond changes most and lengthens by 0.019 Å. It is shown that the S atom has large displacement amplitudes in normal modes assigned to Raman lines at 230, 285, 360, and 575 cm-1 and weak IR bands at 467 and 577 cm-1. Oscillations involving the nitro group are very active in Raman and IR spectra. Their frequencies are slightly lower than similar frequencies of nitrobenzene and nitroindolinospirobenzopyran, indicating a higher degree of vibrational coupling of the NO2 group with the NISTP molecular skeleton.

  6. X-ray spectra of supernova remnants

    NASA Technical Reports Server (NTRS)

    Szymkowiak, A. E.

    1985-01-01

    X-ray spectra were obtained from fields in three supernova remnants with the solid state spectrometer of the HEAO 2 satellite. These spectra, which contain lines from K-shell transitions of several abundant elements with atomic numbers between 10 and 22, were compared with various models, including some of spectra that would be produced by adiabatic phase remnants when the time-dependence of the ionization is considered.

  7. Near infrared Raman spectra of Rhizoma dioscoreae

    NASA Astrophysics Data System (ADS)

    Lin, Wenshuo; Chen, Rong; Chen, Guannan; Feng, Sangyuan; Li, Yongzeng; Huang, Zufang; Li, Yongsen

    2008-03-01

    A novel and compact near-infrared (NIR) Raman system is developed using 785-nm diode laser, volume-phase technology holographic system, and NIR intensified charge-coupled device (CCD). Raman spectra and first derivative spectra of Rhizoma Dioscoreae are obtained. Raman spectra of Rhizoma Dioscoreae showed three strong characteristic peaks at 477.4cm -1, 863.9cm -1, and 936.0cm -1. The major ingredients are protein, amino acid, starch, polysaccharides and so on, matched with the known basic biochemical composition of Rhizoma Dioscoreae. In the first derivative spectra of Rhizoma Dioscoreae, distinguishing characteristic peaks appeared at 467.674cm -1, 484.603cm -1, 870.37cm -1, 943.368cm -1. Contrasted with Rhizoma Dioscoreae Raman spectra, in 600cm -1 to 800cm -1, 1000cm -1 to 1400cm -1 regions, changes in Rhizoma Dioscoreae Raman first derivative spectra are represented more clearly than Rhizoma Dioscoreae Raman spectra. So Rhizoma Dioscoreae raman first derivative spectra can be an accurate supplementary analysis method to Rhizoma Dioscoreae Raman spectra.

  8. Infrared spectra of thyroid tumor tissues

    NASA Astrophysics Data System (ADS)

    Tolstorozhev, G. B.; Skornyakov, I. V.; Butra, V. A.

    2010-07-01

    We used infrared spectroscopy methods to study thyroid tumor tissues removed during surgery. The IR spectra of the surgical material are compared with data from histological examination. We show that in malignant neoplasms, the spectra of proteins in the region of C=O vibrations are different from the spectra of these substances in benign tumors and in tissues outside the pathological focus at a distance >1 cm from the margin of the tumor. The differences in the spectra are due to changes in the supermolecular structure of the proteins, resulting from rearrangement of the system of hydrogen bonds. We identify the spectral signs of malignant pathologies.

  9. The Radio Spectra and - Inertial Defects Behavior of Planar Aromatic Heterocycles

    NASA Astrophysics Data System (ADS)

    McNaughton, Don; Jahn, Michaela K.; Grabow, Jens-Uwe; Godfrey, Peter; Travers, Michael; Wachsmuth, Dennis

    2016-06-01

    The simplest tricyclic aromatic nitrogen heterocyclic molecules 5,6 benzoquinoline and 7,8 benzoquinoline are possible candidates for detection of aromatic systems in the interstellar medium. Therefore the pure rotational spectra have been recorded using frequency-scanned Stark modulated, jet-cooled millimetre wave absorption spectroscopy (48-87 GHz) and Fourier Transform Microwave (FT MW) spectroscopy (2-26 GHz) of a supersonic rotationally cold molecular jet. Guided by ab initio molecular orbital predictions, spectral analysis of mm wave spectra, and higher resolution FT MW spectroscopy provided accurate rotational and centrifugal distortion constants together with 14N nuclear quadrupole coupling constants for both species. The determined inertial defects, along with those of similar species are used to develop an empirical formula for calculation of inertial defects of aromatic ring systems. The predictive ability of the formula is shown to be excellent for planar species with a number of pronounced out of plane vibrations. The resultant constants are of sufficient accuracy to be used in potential astrophysical searches. We gratefully acknowledge support from the Deutsche Forschungsgemeinschaft, the Deutsche Akademische Austauschdienst, as well as the Land Niedersachsen (J.-U.G). DMcN also thanks the Royal Society of Chemistry for their generous travel support.

  10. Trion spectra of semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Esser, Axel; Runge, Erich; Zimmermann, Roland

    2001-03-01

    The linear optical properties of quantum wells and quantum wires in the presence of a moderate background carrier density nB are investigated theoretically and compared with recent experiments. At low n_B, excitons and trions (charged excitons) are the relevant excitations. We present a density-matrix approach, which starts from the interband polarization and couples directly to higher order correlation functions which are related to three-particle excitations. It allows to describe both trionic and excitonic states. A generalized dynamical truncation scheme is applied and yields an expression for the absorption coefficient of trions in terms of trion eigenstates. Then, in combination with a numerical solution of the three-particle Schrödinger equation we sucessfully model (i) experimental photoluminescence lineshapes (their asymmetry towards lower photon energy and temperature-dependence is related to carrier recoil) [1], (ii) radiative trion lifetime (shown to depend linearly on temperature for a thermalized trion distribution) [2], and (iii) the influence of an electrical field (quantum-confined Stark effect) [3]. The optical response of excitons and trions can be studied alternatively by the solution of the time-dependent trion Schrödinger equation yielding information about (i) the appearance of trion triplet states (shown to be optically inactice at vanishing center-of-mass momentum), and (ii) exciton-electron scattering states (which give rise to a broadening of the high-energy side of the exciton). Altogether, a consistent and thorough picture of exciton related absorption spectra in the presence of additional carriers can be derived either from density matrix theory or the solution of the time-dependent three-particle Schrödinger equation. [1] A. Esser et al., Phys. Rev. B 62, 8232 (2000); [2] V. Ciulin et al., Phys. Rev. B (2000); [3] A. Esser et al., Phys. Status Solidi B 221, 281 (2000).

  11. Incorporating Spectra Into Periodic Timing

    NASA Astrophysics Data System (ADS)

    Connors, Alanna; Hong, J.; Protopapas, P.; Kashyap, V.

    2011-09-01

    The Chandra surveys have resulted in a wealth of data on low-luminosity X-ray sources (Lx 1030-34 erg/s) of Galactic scales beyond the local solar neighborhood. Many of these are compact binaries, in particular, cataclysmic variables, often identified by their periodic X-ray variability and spectra. Hong et al. (2009, 2011) have used energy quantiles (Hong, Schlegel & Grindlay, 2004) as a fast, robust indicator of spectral hardness and absorption of the X-ray sources. Energy quantiles also enable a simple but effective illustration of spectral changes with phase in these periodic systems: e.g. absorption by the accreting material is understood to drive the periodic light-curves. An interesting question is how to best make use of the information encapsulated in the periodic change in energy spectrum, along with the periodic change in intensity, especially for cases of ambiguous period determination? And, how to do it computationally efficiently? A first approach is to do the period search in intensity, as is standard; and then use a criterion of spectral variation to verify possible periods. Huijse, Zegers & Protopapas (2011) recently demonstrated a powerful period estimation technique using information potential and correntropy embedded in the light curve. Similar quantities based on energies (or energy quantiles) of X-ray photons can serve as criteria of spectral variation. A different approach treats the spectrum variations and intensity variations completely independently, searching through period-space in each, and then combining the results. A more general method would include both at the same time, looking for statistically significant variations above what is expected for a constant (in intensity and spectrum).

  12. Faster optical-spectra recording and analysis

    NASA Technical Reports Server (NTRS)

    Richmond, R. G.

    1977-01-01

    Optical spectra are recorded and rapidly analyzed by system that links multichannel analyzer and desk-top programable calculator. Cassette-memory storage is provided. System can be programed to automate background subtraction, axis expansion, and other data-analysis techniques and can store several hundred spectra for immediate or delayed analysis and comparisons.

  13. (abstract) Spectra of Comet Hale-Bopp

    NASA Technical Reports Server (NTRS)

    Hanner, M. S.; Hayward, T. L.; Lynch, D. K.; Russell, R. W.

    1996-01-01

    The spectra of Hale-Bopp were acquired in mid-1996 at R > 3.5 AU. Strong silicate emission is present in all the spectra. The shape of the feature is very similar to that seen in comet P/Halley. This is the first time that a strong silicate feature has been detected in a comet beyond 2 AU.

  14. Isotope shifts in spectra of molecular liquids

    NASA Astrophysics Data System (ADS)

    Dubrovskaya, E. V.; Kolomiitsova, T. D.; Shurukhina, A. V.; Shchepkin, D. N.

    2016-02-01

    In the IR absorption spectra of low-temperature molecular liquids, we have observed anomalously large isotope shifts of frequencies of vibrational bands that are strong in the dipole absorption. The same effect has also been observed in their Raman spectra. At the same time, in the spectra of cryosolutions, the isotope shifts of the same bands coincide with a high accuracy (±(0.1-0.5) cm-1) with the shifts that are observed in the spectra of the gas phase. The difference between the spectra of examined low-temperature systems is caused by the occurrence of resonant dipole-dipole interactions between spectrally active identical molecules. The calculation of the band contour in the spectrum of liquid freon that we have performed in this work taking into account the resonant interaction between states of simultaneous transitions in isotopically substituted molecules can explain this effect.

  15. PCA: Principal Component Analysis for spectra modeling

    NASA Astrophysics Data System (ADS)

    Hurley, Peter D.; Oliver, Seb; Farrah, Duncan; Wang, Lingyu; Efstathiou, Andreas

    2012-07-01

    The mid-infrared spectra of ultraluminous infrared galaxies (ULIRGs) contain a variety of spectral features that can be used as diagnostics to characterize the spectra. However, such diagnostics are biased by our prior prejudices on the origin of the features. Moreover, by using only part of the spectrum they do not utilize the full information content of the spectra. Blind statistical techniques such as principal component analysis (PCA) consider the whole spectrum, find correlated features and separate them out into distinct components. This code, written in IDL, classifies principal components of IRS spectra to define a new classification scheme using 5D Gaussian mixtures modelling. The five PCs and average spectra for the four classifications to classify objects are made available with the code.

  16. Blind extraction of exoplanetary spectra

    NASA Astrophysics Data System (ADS)

    Morello, Giuseppe; Waldmann, Ingo; Damiano, Mario; Tinetti, Giovanna

    2016-10-01

    In the last decade, remote sensing spectroscopy enabled characterization of the atmospheres of extrasolar planets. Transmission and emission spectra of tens of transiting exoplanets have been measured with multiple instruments aboard Spitzer and Hubble Space Telescopes as well as ground-based facilities, revealing the presence of chemical species in their atmospheres, and constraining their temperature and pressure profiles.Early analyses were somehow heuristic, leading to some controversies in the literature.A photometric precision of 0.01% is necessary to detect the atmospheric spectral modulations. Current observatories, except Kepler, were not designed to achieve this precision. Data reduction is necessary to minimize the effect of instrument systematics in order to achieve the target precision. In the past, parametric models have extensively been used by most teams to remove correlated noise with the aid of auxiliary information of the instrument, the so-called optical state vectors (OSVs). Such OSVs can include inter- and intra-pixel position of the star or its spectrum, instrument temperatures and inclinations, and/or other parameters. In some cases, different parameterizations led to discrepant results.We recommend the use of blind non-parametric data detrending techniques to overcome those issues. In particular, we adopt Independent Component Analysis (ICA), i.e. a powerful blind source separation (BSS) technique to disentangle the multiple instrument systematics and astrophysical signals in transit/eclipse light curves. ICA does not require a model for the systematics, thence it can be applied to any instrument with little changes, if any. ICA-based algorithms have been applied to Spitzer/IRAC and synthetic observations in photometry (Morello et al. 2014, 2015, 2016; Morello 2015) and to Hubble/WFC3, Hubble/NICMOS and Spitzer/IRS and Hubble/WFC3 in spectroscopy (Damiano, Morello et al., in prep., Waldmann 2012, 2014, Waldmann et al. 2013) with excellent

  17. Study of TFTR D-T neutron spectra using natural diamond detectors

    SciTech Connect

    Roquemore, A.L.; Krasilnikov, A.V., Gorelenkov, N.N.

    1996-12-31

    Three Natural Diamond Detector (NDD) based spectrometers have been used for neutron spectra measurement during Deuterium-Tritium (D-T) experiments using high power Neutral Beam Injection (NBI) and Ton Cyclotron Resonance Heating (ICRH) on the Tokamak Fusion Test Reactor (TFTR) in 1996. A 2-3 % energy resolution coupled with the high radiation resistance of NDDs (5 x 10{sup 14}n/cm{sup 2}) makes them ideal for measuring the D-T neutron spectra in the high radiation environment of TFTR tritium experiments. The compact size of the NDD made it possible to insert one of the detectors into one of the center channels of the TFTR multichannel neutron collimator to provide a vertical view perpendicular to the vessel midplane, Two other detectors were placed inside shields in TFTR test cell and provide measurements of the neutrons having angles of emission of 110- 180{degrees} and 60-12-{degrees} with respect to the direction of the plasma current. By using a 0.25 {mu}s shaping time of the Ortec 673 spectroscopy amplifier we were able to accumulate useful spectrometry data at count rates up to 1.5 x 10{sup 3} counts/sec. To model the D- T neutron spectra measured by each of three NDD`s the Neutron Source post TRANSP (NST) code and semi-analytical model were developed. A set of D-T and D-D plasmas is analyzed for the dynamics of D-T neutron spectral broadening for each of three NDD cones of view. The application of three NDD based D-T neutron -spectrometer array demonstrated the anisotropy of the ion distribution function. and provided a mature of the dynamics of the effective ion temperatures for each detector view, and determined the tangential velocity of resonant tritons during ICRH.

  18. Characteristics of energetic solar flare electron spectra

    NASA Technical Reports Server (NTRS)

    Moses, Dan; Droege, Wolfgang; Meyer, Peter; Evenson, Paul

    1989-01-01

    A 55 event survey of energy spectra of 0.1-100 MeV interplanetary electrons originating from solar flares as measured by two spectrometers onboard the ISEE 3 (ICE) spacecraft for the years 1978-1982 has been completed. Spectra generated using the maximum flux of a given event in each energy channel were restricted to events with a well-defined flux rise time. Two broad groups of electron spectra are considered. In one group, the spectra are well represented by a single power law in rigidity with spectral index in the range 3-4.5. The spectra in the other group deviate from a power law in rigidity systematically in that they harden with increasing rigidity. Events with near power-law spectra are found to be correlated with long-duration soft X-ray events, whereas those with hardening spectra are correlated with short-duration events. The possible variation of acceleration and propagation processes with the properties of the flare site is discussed, using the duration of the soft X-ray flare emission as an indicator of the physical parameters of the flare site (flare volume, density, coronal height, and magnetic field geometry).

  19. Negative Ion Photoelectron Spectra of Halomethyl Anions

    NASA Astrophysics Data System (ADS)

    Vogelhuber, Kristen M.; Wren, Scott W.; McCoy, Anne B.; Ervin, Kent M.; Lineberger, W. Carl

    2009-06-01

    Halomethyl anions undergo a significant geometry change upon electron photodetachment, resulting in multiple extended vibrational progressions in the photoelectron spectra. The normal mode analysis that successfully models photoelectron spectra when geometry changes are modest is unable to reproduce the experimental data using physically reasonable parameters. A three-dimensional anharmonic coupled-mode analysis was employed to accurately reproduce the observed vibrational structure. We present the 364 nm negative ion photoelectron spectra of the halomethyl anions CHX_2^- and CDX_2^- (X = Cl, Br, I) and report electron affinities, vibrational frequencies, and geometries.

  20. Analysis of atmospheric spectra for trace gases

    NASA Technical Reports Server (NTRS)

    Rinsland, Curtis P.; Seals, Robert K., Jr.; Smith, Mary Ann H.; Goldman, Aaron; Murcray, David G.; Murcray, Frank J.

    1990-01-01

    The objective is the comprehensive analysis of high resolution atmospheric spectra recorded in the middle-infrared region to obtain simultaneous measurements of coupled parameters (gas concentrations of key trace constituents, total column amounts, pressure, and temperature) in the stratosphere and upper troposphere. Solar absorption spectra recorded at 0.002 and 0.02 cm exp -1 resolutions with the University of Denver group's balloon-borne, aircraft borne, and ground-based interferometers and 0.005 to 0.01 cm exp -1 resolution solar spectra from Kitt Peak are used in the analyses.

  1. [Spectra of dark green jade from Myanmar].

    PubMed

    Mao, Jian; Chai, Lin-Tao; Guo, Shou-Guo; Fan, Jian-Liang; Bao, Feng

    2013-05-01

    Chemical compositions and spectral characteristics of one type of dark green jades assumed from omphacite jadeite from Myanmar jadeite mining area were studied by X-ray powder diffraction(XRD), X-ray fluorescence spectra(XRF), Raman spectra(RM) and UV-Vis Spectroscopy, etc. Based on testing by XRD and XRF, it was shown that it belongs to iron-enriched plagioclase, including albite and anorthite. The compositions range is between Ab0.731 An0.264 Or0.004 and Ab0.693 An0.303 Or0.004. Raman spectra of samples, albite jade and anorthite were collected and analyzed. Additionally, the distributions of Si, Al in the crystal structure were also discussed. UV-Vis spectra showed that dark green hue of this mineral is associated with d--d electronic transition of Fe3+ and Cr3+.

  2. Ultraviolet Spectra of Globular Clusters in Andromeda

    NASA Astrophysics Data System (ADS)

    Peterson, R. C.

    1999-05-01

    As part of a NASA-funded effort with Ben Dorman of Goddard Space Flight Center, I am engaged in calculating spectra from first principles of solar-type stars of a wide range of metallicity. This paper reports on an extension of this work funded by the Hubble Space Telescope archival program, the derivation of fundamental parameters for several globular clusters in Andromeda (M31). Properties of the underlying stellar population are derived by matching archival HST spectra with composite spectra constructed by weighted coaddition of the calculated spectra for stars of appropriate spectral types. Armed with these ab initio calculations, this work explores the degeneracy in age and metallicity in the ultraviolet, and the affect of unknowns such as the relative abundance of light elements versus iron and the possible presence of blue stragglers or blue horizontal branch stars.

  3. Dynamic radio spectra from two fireballs

    NASA Astrophysics Data System (ADS)

    Obenberger, K. S.; Taylor, G. B.; Lin, C. S.; Dowell, J.; Schinzel, F. K.; Stovall, K.

    2015-11-01

    We present dynamic spectra from the Long Wavelength Array telescope of two large meteors (fireballs) observed to emit between 37 and 54 MHz. These spectra show the first ever recorded broadband measurements of this newly discovered VHF emission. The spectra show that the emission is smooth and steep, getting very bright at lower frequencies. We suggest that this signal is possibly emission of Langmuir waves and that these waves could be excited by a bump-on-tail instability within the trail. The spectra of one fireball display broadband temporal frequency sweeps. We suggest that these sweeps are evidence of individual expanding clumps of emitting plasma. While some of these proposed clumps may have formed at the very beginning of the fireball event, others must have formed seconds after the initial event.

  4. Study on Raman spectra of synthetic celluloses

    NASA Astrophysics Data System (ADS)

    Tong, Na; Zhu, Changjun; Zhang, Yixin

    2015-02-01

    Raman spectrometry was employed to study the characteristics of Raman spectra of aliphatic polyamide fiber and polyethylene terephthalate (PET), which were treated with sodium hydroxide, sulfuric acid and copper sulfate, respectively. Raman spectra under different conditions were obtained and the characteristics of the Raman spectra were analyzed. The results show that Raman peaks beyond 1200 cm-1 appear for aliphatic polyamide fiber processed by sodium hydroxide, while the Raman peaks beyond 1000 cm-1 disappear for aliphatic polyamide fiber processed by sulfuric acid. Raman peaks beyond 1750 cm-1 decrease for polyethylene terephthalate processed by sodium hydroxide, while Raman peaks beyond 1000 cm-1 disappear, except weak peaks around 3000 cm-1 , for polyethylene terephthalate processed by sulfuric acid. The variations of the Raman spectra are primarily related to the changes of chemical bonds and molecular structures.

  5. Investigation of Raman spectra of polyethylene terephthalate

    NASA Astrophysics Data System (ADS)

    Zhu, Changjun; Tong, Na; Song, Lixin; Zhang, Guoqing

    2015-08-01

    Raman spectrometry was employed to study the characteristics of Raman spectra of polyethylene terephthalate (PET), which were treated with sodium hydroxide, sulfuric acid and copper sulfate, respectively. Raman spectra under different conditions were obtained and the characteristics of the Raman spectra were analyzed. The morphology structures were observed under different conditions using Atomic Force Microscope. The results show that the spectral intensity of PET treated with sodium hydroxide is higher than that untreated between 200-1750 cm-1, while the intensity of PET treated with sodium hydroxide is lower than that untreated beyond 1750 cm-1 and the fluorescence background of Raman spectra is decreased. The spectral intensity of PET treated with sulfuric acid is remarkably reduced than that untreated, and the intensity of PET treated with copper sulphate is much higher than that untreated.

  6. Synthesis and Spectra of Vanadium Complexes.

    ERIC Educational Resources Information Center

    Ophardt, Charles E.; Stupgia, Sean

    1984-01-01

    Describes an experiment which illustrates simple synthetic techniques, redox principles in synthesis reactions, interpretation of visible spectra using Orgel diagrams, and the spectrochemical series. The experiment is suitable for the advanced undergraduate inorganic chemistry laboratory. (JN)

  7. Vibrational and vibronic spectra of tryptamine conformers

    NASA Astrophysics Data System (ADS)

    Mayorkas, Nitzan; Bernat, Amir; Izbitski, Shay; Bar, Ilana

    2013-03-01

    Conformation-specific ionization-detected stimulated Raman spectra, including both Raman loss and Raman gain lines, along with visible-visible-ultraviolet hole-burning spectra of tryptamine (TRA) conformers have been measured simultaneously, with the aim of obtaining new data for identifying them. The slightly different orientations of the ethylamine side chain relative to the indole lead to unique spectral signatures, pointing to the presence of seven TRA conformers in the molecular beam. Comparison of ionization-loss stimulated Raman spectra to computationally scaled harmonic Raman spectra, especially in the alkyl C-H and amine N-H stretch regions together with the retrieved information on the stabilities of the TRA conformers assisted their characterization and structural identification. The prospects and limitations of using these spectroscopic methods as potential conformational probes of flexible molecules are discussed.

  8. Contribution to the study of turbulence spectra

    NASA Technical Reports Server (NTRS)

    Dumas, R.

    1979-01-01

    An apparatus suitable for turbulence measurement between ranges of 1 to 5000 cps and from 6 to 16,000 cps was developed and is described. Turbulence spectra downstream of the grills were examined with reference to their general characteristics, their LF qualities, and the effects of periodic turbulence. Medium and HF are discussed. Turbulence spectra in the boundary layers are similarly examined, with reference to their fluctuations at right angles to the wall, and to lateral fluctuations. Turbulence spectra in a boundary layer with suction to the wall is discussed. Induced turbulence, and turbulence spectra at high Reynolds numbers. Calculations are presented relating to the effect of filtering on the value of the correlations in time and space.

  9. Microwave spectra of some volatile organic compounds

    NASA Technical Reports Server (NTRS)

    White, W. F.

    1975-01-01

    A computer-controlled microwave (MRR) spectrometer was used to catalog reference spectra for chemical analysis. Tables of absorption frequency, peak absorption intensity, and integrated intensity are included for 26 volatile organic compounds, all but one of which contain oxygen.

  10. Frequency Spectra of Magnetoacoustic Emission in Meteorites

    NASA Astrophysics Data System (ADS)

    Ivanchenko, S. V.; Grokhovsky, V. I.; Kolchanov, N. N.

    2016-08-01

    We analyzed the magnetoacoustic emission spectra of iron meteorites and their industrial analogs. The revealed differences in signal amplitude, position and width of the peaks are associated with the features of structure and the magnetic texture.

  11. Cooperative Interaction Within RNA Virus Mutant Spectra.

    PubMed

    Shirogane, Yuta; Watanabe, Shumpei; Yanagi, Yusuke

    2016-01-01

    RNA viruses usually consist of mutant spectra because of high error rates of viral RNA polymerases. Growth competition occurs among different viral variants, and the fittest clones predominate under given conditions. Individual variants, however, may not be entirely independent of each other, and internal interactions within mutant spectra can occur. Examples of cooperative and interfering interactions that exert enhancing and suppressing effects on replication of the wild-type virus, respectively, have been described, but their underlying mechanisms have not been well defined. It was recently found that the cooperation between wild-type and variant measles virus genomes produces a new phenotype through the heterooligomer formation of a viral protein. This observation provides a molecular mechanism underlying cooperative interactions within mutant spectra. Careful attention to individual sequences, in addition to consensus sequences, may disclose further examples of internal interactions within mutant spectra. PMID:26162566

  12. Handbook of mass spectra of environmental contaminants

    SciTech Connect

    Hites, R.A.

    1985-01-01

    This handbook is a collection of the electron impact mass spectra of 394 commonly encountered environmental pollutants. Each page is devoted to the examination of a single pollutant, which is presented as a bar graph always starting at M/z = 40. Each spectra is determined by analyses of data in EPA data bases. The major fragment ions are correlated with their respective structure. The mass and intensity of the four most intense ions in the spectrum are given. Each spectrum is marked to indicate the origin of the selected fragment ions. For each spectra, also given are the approved name of the chemical Abstract Service, the common name of the compound, the article number (if any) given to the Merck Index, the CAS Registry Number, the molecular formula, and the nominal molecular weight of the compound. Each spectra is indexed by common chemical name, CAS Registry Number, exact molecular weight, and intense peaks.

  13. Comparing Ultraviolet Spectra Against Calculations: First Results

    NASA Technical Reports Server (NTRS)

    Peterson, Ruth C.

    2003-01-01

    The five-year goal of this effort is to calculate high fidelity mid-UV spectra for individual stars and stellar systems for a wide range of ages, abundances, and abundance ratios. In this first year, the emphasis was placed on revising the list of atomic line parameters used to calculate mid-UV spectra. First, new identifications of atomic lines and measurements of their transition probabilities were obtained for lines of the first and second ionization stages of iron-peak elements. Second, observed mid-UV and optical spectra for standard stars were re-analyzed and compared to new calculations, to refine the determination of transition probabilities and to estimate the identity of lines still missing from the laboratory lists. As evidenced by the figures, a dramatic improvement has resulted in the reproduction of the spectra of standard stars by the calculations.

  14. Improved peak shape fitting in alpha spectra.

    PubMed

    Pommé, S; Caro Marroyo, B

    2015-02-01

    Peak overlap is a recurrent issue in alpha-particle spectrometry, not only in routine analyses but also in the high-resolution spectra from which reference values for alpha emission probabilities are derived. In this work, improved peak shape formulae are presented for the deconvolution of alpha-particle spectra. They have been implemented as fit functions in a spreadsheet application and optimum fit parameters were searched with built-in optimisation routines. Deconvolution results are shown for a few challenging spectra with high statistical precision. The algorithm outperforms the best available routines for high-resolution spectrometry, which may facilitate a more reliable determination of alpha emission probabilities in the future. It is also applicable to alpha spectra with inferior energy resolution. PMID:25497323

  15. PIA update: Correlation analyses of mass spectra

    NASA Technical Reports Server (NTRS)

    Mason, L. W.; Clark, B. C.

    1988-01-01

    The PIA instrument aboard the Giotto spacecraft (a time of flight spectrometer) has been presented elsewhere. The mass spectra used in this analysis were decoded and mass numbers assigned according to the presence of carbon and silver, using the global values for these elements in their spectral absence. The results presented here were obtained using a frequency of occurrence based on analysis which correlated how often mass numbers appear in the mass spectra and which mass numbers tend to occur together in the same spectra; no amplitude information is utilized. The data are presented as plots of mass vs coincident mass for different subsets of the PIA data set, with both axes having units of atomic mass. Frequency contours are plotted at approximately five percent contour intervals, relative to the maximum AMU occurrence in that plot. The plots presented are symmetrical about the matrix diagonal, i.e., every mass is coincident with itself in a given spectra.

  16. Trigonometric Polynomials For Estimation Of Spectra

    NASA Technical Reports Server (NTRS)

    Greenhall, Charles A.

    1990-01-01

    Orthogonal sets of trigonometric polynomials used as suboptimal substitutes for discrete prolate-spheroidal "windows" of Thomson method of estimation of spectra. As used here, "windows" denotes weighting functions used in sampling time series to obtain their power spectra within specified frequency bands. Simplified windows designed to require less computation than do discrete prolate-spheroidal windows, albeit at price of some loss of accuracy.

  17. New atlas of IR solar spectra

    NASA Technical Reports Server (NTRS)

    Goldman, A.; Blatherwick, R. D.; Murcray, F. H.; Vanallen, J. W.; Bradford, C. M.; Cook, G. R.; Murcray, D. G.

    1980-01-01

    Over 4500 absorption lines have been marked on the spectra and the corresponding line positions tabulated. The associated absorbing telluric or solar species for more than 90% of these lines have been identified and only a fraction of the unidentified lines have peak absorptions greater than a few percent. The high resolution and the low Sun spectra greatly enhance the sensitivity limits for identification of trace constituents.

  18. Establishment of the spectra of kinetic turbulence

    NASA Technical Reports Server (NTRS)

    Bolshov, L. A.; Dykhne, A. M.; Kiselev, V. P.; Pergament, A. K.

    1979-01-01

    An analysis of kinetic equations describing the establishment of Langmuir turbulence spectra is presented. Secondary turbulence occurs where stationary distribution consists of many peaks. The position of peaks is established and their amplitudes complete undamped oscillations. It is pointed out that establishing spectra can occur only during adiabatic inclusion of pumping. It is significant here that the adiabiatic condition is more rigid than the ordinary by several hundred times.

  19. Diffuse emission and pathological Seyfert spectra

    NASA Technical Reports Server (NTRS)

    Halpern, Jules P.

    1995-01-01

    In this annual ROSAT status report, the diffuse emission and spectra from Seyfert galaxies are examined. Three papers are presented and their contents include the soft x-ray properties and spectra of a binary millisecond pulsar, the PSPC and HRI observations of a Starburst/Seyfert 2 Galaxy, and an analysis of the possibility of x-ray luminous starbursts in the Einstein Medium Sensitivity Survey.

  20. Tilted cranking classification of multiband spectra

    NASA Astrophysics Data System (ADS)

    Frauendorf, S.; May, F. R.

    1992-06-01

    The existence of TDHF-solutions rotating uniformly about a nonprincipal axis of the deformed axial potential is demonstrated. The solutions represent Delta(I) = 1 bands. Self consistency and symmetry are discussed. The transformation of experimental spectra to the rotating frame of reference is introduced. Excitation spectra at high spin are calculated and found to agree well with recent data on Er-163 and Hf-174.

  1. Nuclear quadrupole resonance studies of the SORC sequence and nuclear magnetic resonance studies of polymers

    SciTech Connect

    Jayakody, J.R.P.

    1993-12-31

    The behavior of induction signals during steady-state pulse irradiation in {sup 14}N NQR was investigated experimentally. Because Strong Off-resonance Comb (SORC) signals recur as long as the pulsing continues, very efficient signal-averaging can result. The dependence of these steady-state SORC signals on pulse parameters and on frequency offset are presented, together with a discussion of the applicability of the method. Also as part of the NQR work, cocaine base has been detected using conventional NQR techniques. The experimental results show that SORC detection can be of sufficient sensitivity to form the basis of narcotics screening devices for both mail and airline baggage. A new NMR technique, to obtain the correlation time of the random thermal motion of a polymer at temperatures near the glass transition has been introduced. The temperature dependence is a result of thermal motion. For slow-motion of a polymer chain near the glass transition, the CSA parameter begins to decrease. This motional narrowing can be interpreted to yield the correlation time of the thermal motion. In this work nitrocellulose isotopically highly enriched with {sup 15}N was studied at four different temperatures between 27{degrees} and 120{degrees} Celsius and the correlation times for polymer backbone motions were obtained. Naflon films containing water (D{sub 2}O and H{sub 2} {sup 17}O) and methanol (CH{sub 3}OD, CH{sub 3} {sup 17}OH), have been studied using deuteron and oxygen-17 NMR spectroscopy. Glassy behavior of the water domains at low temperature is evidenced by the specific nature of the {sup 2}H NMR lineshapes. Activation energies extracted from {sup 2}H spin-lattice relaxation data on the high temperature side of the T{sub 1} minimum exhibit a steady increase with increasing water content. In spite of a high degree of molecular mobility, angular-dependent spectra of both unstretched and stretched samples reflect considerable anisotrophy of the host polymer.

  2. The AGB star nucleosynthesis in the light of the recent {sup 17}O(p,α){sup 14}N and {sup 18}O(p,α){sup 15}N reaction rate determinations

    SciTech Connect

    Palmerini, S.; Sergi, M. L.; La Cognata, M.; Pizzone, R. G.; Lamia, L.; Spitaleri, C.

    2015-02-24

    Presolar grains form in the cold and dusty envelopes of Asymptotic Giant Branch (AGB) stars. These solides, once that have been ejected by stellar winds, come to us as inclusions in meteorites providing invaluable benchmarks and constraints for our knowledge of low temeperature H-burning in stars. The Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of the {sup 17}O(p,α){sup 14}N and {sup 18}O(p,α){sup 15}N reactions. Moreover, the strength of the 65 keV resonance in the {sup 17}O(p,α){sup 14}N reaction, measured by means of the THM, has been used to renormalize the corresponding resonance strength in the {sup 17}O+p radiative capture channel. The new estimates of the reaction rates have been introduced into calculations of AGB star nucleosynthesis and the results have been compared with geochemical analysis of 'presolar' grains to determine their impact on astrophysical environments.

  3. The effect of the recent 17O(p,α)14N and 18O(p,α)15N fusion cross section measurements in the nucleosynthesis of AGB stars

    NASA Astrophysics Data System (ADS)

    Palmerini, S.; Sergi, M. L.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Spitaleri, C.

    2015-01-01

    The Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of the 17O(p,α)14N and 18O(p,α)15N fusion reactions and to extract the strengths of the resonances that more contribute to the reaction rates at astrophysical energies. Moreover, the strength of the 65 keV resonance in the 17O(p,α)14N reaction, measured by means of the THM, has been used to renormalize the corresponding resonance strength in the 17O + p radiative capture channel. Since, proton-induced fusion reactions on 17O and 18O belong to the CNO cycle network for H-burning in stars, the new estimates of the cross sections have been introduced into calculations of Asymptotic giant branch (AGB) star nucleosynthesis to determine their impact on astrophysical environments. Results of nucleosynthesis calculations have been compared with geochemical analysis of "presolar" grains. These solids form in the cold and dusty envelopes that surround AGB stars and once that have been ejected by stellar winds, come to us as inclusions in meteorites providing invaluable benchmarks and constraints for our knowledge of fusion reactions in astrophysical environments.

  4. A Multispectrum Analysis of the v2 Band of H12C14N: Part II. Theoretical Calculations of Self-Broadening, Self-Induced Shifts, and Their Temperature Dependences

    SciTech Connect

    Bouanich, J P.; Boulet, C; Predoi-Cross, A; Sharpe, Steven W.; Sams, Robert L.; Smith, Mary A.; Rinsland, Curtis P.; Benner, D C.; Devi, V M.

    2005-04-07

    A semiclassical theory based upon the Robert-Bonamy formalism has been developed in order to explain the experimental measurements of self-broadening, self-induced pressure shift coefficients in the v1, v2, 2v2 bands of H12C14N and the 2v1 band of H13C14N as well as the temperature dependences of these parameters with special emphasis on the v2 band. Our calculations include only electrostatic interactions and neglect the vibrational dependence of the isotropic part of the intermolecular potential, which probably has a weak contribution to the HCN self-shifts for the bands investigated in this study. The agreement between theory and measurements is good in the cases of self-broadening coefficients and their variation with temperature, as well as the self-shift coefficients determined at room temperature. However, the observed temperature dependence of self-shift coefficients in the v2 band is different from that derived theoretically.

  5. L-shell X-ray production cross sections of Ce, Nd, Sm, Eu, Gd, and Dy by impact of 14N2+ ions with energies between 7.0 MeV and 10.5 MeV

    NASA Astrophysics Data System (ADS)

    Murillo, G.; Méndez, B.; López-Monroy, J.; Miranda, J.; Villaseñor, P.

    2016-09-01

    L-shell X-ray production cross sections from the lanthanoid elements Ce, Nd, Sm, Eu, Gd, and Dy, induced by the impact of 14N2+ ions with energies in the interval 7.0 MeV to 10.5 MeV (0.50 MeV/μ to 0.75 MeV/μ), were measured and then compared with theoretical calculations obtained with the ECPSSR model with exact limits of integration (eCPSSR) and related corrections. These include the electron capture by the incoming ion and multiple ionizations of higher shells. Data from this work were contrasted with previously published L X-ray production cross sections for 14N2+ ion impact. As with other ions, a universal behavior is found when Lα and Lγ X-ray production cross sections are plotted as a function of reduced velocity parameters. The agreement with theoretical predictions was very good when the corrections were applied to the eCPSSR model.

  6. [Characteristics of Raman Spectra of Polyethylene Terephthalate].

    PubMed

    Tong, Na; Zhu, Chang-jun; Song, Li-xun; Zhang, Chong-hui; Zhang, Guo-qing; Zhang, Yi-xin

    2016-01-01

    Raman spectrometry was employed to study the characteristics of Raman spectra of polyethylene terephthalate (PET), which were treated with sodium hydroxide, sulfuric acid and copper sulfate, respectively. Raman spectra under different conditions were obtained and the characteristics of the Raman spectra were analyzed. The morphology structures were observed under different conditions using Atomic Force Microscope. The results show that the spectral intensity of PET treated with sodium hydroxide is higher than that untreated between 200-1 750 cm(-1), while the intensity of PET treated with sodium hydroxide is lower than that untreated beyond 1 750 cm(-1) and the fluorescence background of Raman spectra is decreased. The spectral intensity of PET treated with sulfuric acid is remarkably reduced than that untreated, and the intensity of PET treated with copper sulphate is much higher than that untreated. The research results obtained by Atomic Force Microscopy show that the variations of the Raman spectra of PET fibers are closely related to. the chemical bonds and molecular structures of PET fibers. The surface of the PET treated with sodium hydroxide is rougher than that untreated, the surface roughness of the PET treated with sulfuric acid is reduced as compared to that untreated, while the surface roughness of the PET treated with copper sulphate is increased. The results obtained by Raman spectroscopy are consistent with those by Atomic Force Microscopy, indicating that the combination of Raman spectroscopy and Atomic Force Microscopy is expected to be a promising characterization technology for polymer characteristics. PMID:27228752

  7. Cloud supersaturations from CCN spectra Hoppel minima

    NASA Astrophysics Data System (ADS)

    Hudson, James G.; Noble, Stephen; Tabor, Samantha

    2015-04-01

    High-resolution cloud condensation nucleus (CCN) spectral measurements in two aircraft field projects, Marine Stratus/Stratocumulus Experiment (MASE) and Ice in Clouds Experiment-Tropical (ICE-T), often showed bimodality that had previously been observed in submicrometer aerosol size distributions obtained by differential mobility analyzers. However, a great deal of spectral shape variability from very bimodal to very monomodal was observed in close proximity. Cloud supersaturation (S) estimates based on critical S, Sc, at minimal CCN concentrations between two modes (Hoppel minima) were ascertained for 63% of 325 measured spectra. These cloud S were lower than effective S (Seff) determined by comparing ambient CCN spectra with nearby cloud droplet concentrations (Nc). Averages for the polluted MASE stratus were 0.15 and 0.23% and for the cumulus clouds of ICE-T 0.44 and 1.03%. This cloud S disagreement between the two methods might in part be due to the fact that Hoppel minima include the effects of cloud processing, which push CCN spectra toward lower S. Furthermore, there is less cloud processing by the smaller cloud droplets, which might be related to smaller droplets evaporating more readily. Significantly lower concentrations within the more bimodal spectra compared with the monomodal spectra indicated active physical processes: Brownian capture of interstitial CCN and droplet coalescence. Chemical cloud processing also contributed to bimodality, especially in MASE.

  8. Disk-averaged synthetic spectra of Mars.

    PubMed

    Tinetti, Giovanna; Meadows, Victoria S; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather

    2005-08-01

    The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

  9. [Characteristics of Raman Spectra of Polyethylene Terephthalate].

    PubMed

    Tong, Na; Zhu, Chang-jun; Song, Li-xun; Zhang, Chong-hui; Zhang, Guo-qing; Zhang, Yi-xin

    2016-01-01

    Raman spectrometry was employed to study the characteristics of Raman spectra of polyethylene terephthalate (PET), which were treated with sodium hydroxide, sulfuric acid and copper sulfate, respectively. Raman spectra under different conditions were obtained and the characteristics of the Raman spectra were analyzed. The morphology structures were observed under different conditions using Atomic Force Microscope. The results show that the spectral intensity of PET treated with sodium hydroxide is higher than that untreated between 200-1 750 cm(-1), while the intensity of PET treated with sodium hydroxide is lower than that untreated beyond 1 750 cm(-1) and the fluorescence background of Raman spectra is decreased. The spectral intensity of PET treated with sulfuric acid is remarkably reduced than that untreated, and the intensity of PET treated with copper sulphate is much higher than that untreated. The research results obtained by Atomic Force Microscopy show that the variations of the Raman spectra of PET fibers are closely related to. the chemical bonds and molecular structures of PET fibers. The surface of the PET treated with sodium hydroxide is rougher than that untreated, the surface roughness of the PET treated with sulfuric acid is reduced as compared to that untreated, while the surface roughness of the PET treated with copper sulphate is increased. The results obtained by Raman spectroscopy are consistent with those by Atomic Force Microscopy, indicating that the combination of Raman spectroscopy and Atomic Force Microscopy is expected to be a promising characterization technology for polymer characteristics.

  10. Climatology of tropospheric vertical velocity spectra

    NASA Technical Reports Server (NTRS)

    Ecklund, W. L.; Gage, K. S.; Balsley, B. B.; Carter, D. A.

    1986-01-01

    Vertical velocity power spectra obtained from Poker Flat, Alaska; Platteville, Colorado; Rhone Delta, France; and Ponape, East Caroline Islands using 50-MHz clear-air radars with vertical beams are given. The spectra were obtained by analyzing the quietest periods from the one-minute-resolution time series for each site. The lengths of available vertical records ranged from as long as 6 months at Poker Flat to about 1 month at Platteville. The quiet-time vertical velocity spectra are shown. Spectral period ranging from 2 minutes to 4 hours is shown on the abscissa and power spectral density is given on the ordinate. The Brunt-Vaisala (B-V) periods (determined from nearby sounding balloons) are indicated. All spectra (except the one from Platteville) exhibit a peak at periods slightly longer than the B-V period, are flat at longer periods, and fall rapidly at periods less than the B-V period. This behavior is expected for a spectrum of internal waves and is very similar to what is observed in the ocean (Eriksen, 1978). The spectral amplitudes vary by only a factor of 2 or 3 about the mean, and show that under quiet conditions vertical velocity spectra from the troposphere are very similar at widely different locations.

  11. H. N. Russell and Atomic Spectra

    NASA Astrophysics Data System (ADS)

    Devorkin, David

    2001-04-01

    “I would rather analyze spectra than do cross-word puzzles or do almost anything else” Henry Norris Russell wrote to William F. Meggers in 1927. Meggers, chief of the spectroscopy division at the NBS, had been surprised that an astrophysicist could be so keen about the analysis of complex spectra. But Russell was a new type of astrophysicist, one who made physics the core of his research. Spectra, for Russell, held the "master key" to knowledge about the universe, and of the atom. He was first attracted by the challenge of detecting and explaining anomalies, which he hoped would lead to new knowledge about the structure of matter. Then, influenced by physicists such as Meggers, he devoted himself to filling in the picture of the structure of atoms from their characteristic spectra as completely as possible. In this talk I will review how Russell worked with Meggers and became the nucleus of an ever-widening circle of spectroscopists devoted to the analysis of complex spectra.

  12. Cleaning HI Spectra Contaminated by GPS RFI

    NASA Astrophysics Data System (ADS)

    Sylvia, Kamin; Hallenbeck, Gregory L.; Undergraduate ALFALFA Team

    2016-01-01

    The NUDET systems aboard GPS satellites utilize radio waves to communicate information regarding surface nuclear events. The system tests appear in spectra as RFI (radio frequency interference) at 1381MHz, which contaminates observations of extragalactic HI (atomic hydrogen) signals at 50-150 Mpc. Test durations last roughly 20-120 seconds and can occur upwards of 30 times during a single night of observing. The disruption essentially renders the corresponding HI spectra useless.We present a method that automatically removes RFI in HI spectra caused by these tests. By capitalizing on the GPS system's short test durations and predictable frequency appearance we are able to devise a method of identifying times containing compromised data records. By reevaluating the remaining data, we are able to recover clean spectra while sacrificing little in terms of sensitivity to extragalactic signals. This method has been tested on 500+ spectra taken by the Undergraduate ALFALFA Team (UAT), in which it successfully identified and removed all sources of GPS RFI. It will also be used to eliminate RFI in the upcoming Arecibo Pisces-Perseus Supercluster Survey (APPSS).This work has been supported by NSF grant AST-1211005.

  13. Background noise spectra of global seismic stations

    SciTech Connect

    Wada, M.M.; Claassen, J.P.

    1996-08-01

    Over an extended period of time station noise spectra were collected from various sources for use in estimating the detection and location performance of global networks of seismic stations. As the database of noise spectra enlarged and duplicate entries became available, an effort was mounted to more carefully select station noise spectra while discarding others. This report discusses the methodology and criteria by which the noise spectra were selected. It also identifies and illustrates the station noise spectra which survived the selection process and which currently contribute to the modeling efforts. The resulting catalog of noise statistics not only benefits those who model network performance but also those who wish to select stations on the basis of their noise level as may occur in designing networks or in selecting seismological data for analysis on the basis of station noise level. In view of the various ways by which station noise were estimated by the different contributors, it is advisable that future efforts which predict network performance have available station noise data and spectral estimation methods which are compatible with the statistics underlying seismic noise. This appropriately requires (1) averaging noise over seasonal and/or diurnal cycles, (2) averaging noise over time intervals comparable to those employed by actual detectors, and (3) using logarithmic measures of the noise.

  14. Spectra from nuclear-excited plasmas

    NASA Technical Reports Server (NTRS)

    De Young, R. J.; Weaver, W. R.

    1980-01-01

    The paper discusses the spectra taken from He-3(n,p)H-3 nuclear-induced plasmas under high thermal neutron flux, lasing conditions. Also, initial spectra are presented for U-235F6 generated plasmas. From an evaluation of these spectra, important atomic and molecular processes that occur in the plasma can be inferred. The spectra presented are the first to be generated by He-3 and U-235F6 nuclear reactions under high neutron flux, lasing conditions. The U-235(n,ff)FF reaction, which liberates 165 MeV of fission-fragment kinetic energy, creates plasmas that are of great interest, since at sufficiently high densities of U-235F6 the gas becomes self-critical; thus, there is no need for an external driving reactor (source of neutrons). The spectra from mixtures of He-3 and Ar, Xe, Kr, Ne, Cl2, F2 and N2 indicate little difference between high-pressure nuclear-induced plasmas and high-pressure electrically pulsed afterglow plasmas for noble-gas systems

  15. Disk-averaged synthetic spectra of Mars.

    PubMed

    Tinetti, Giovanna; Meadows, Victoria S; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather

    2005-08-01

    The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin. PMID:16078866

  16. Synthetic spectra: a tool for correlation spectroscopy.

    PubMed

    Sinclair, M B; Butler, M A; Ricco, A J; Senturia, S D

    1997-05-20

    We show that computer-generated diffractive optical elements can be used to synthesize the infrared spectra of important compounds, and we describe a modified phase-retrieval algorithm useful for the design of elements of this type. In particular, we present the results of calculations of diffractive elements that are capable of synthesizing portions of the infrared spectra of gaseous hydrogen fluoride (HF) and trichloroethylene (TCE). Further, we propose a new type of correlation spectrometer that uses these diffractive elements rather than reference cells for the production of reference spectra. Storage of a large number of diffractive elements, each producing a synthetic spectrum corresponding to a different target compound, in compact-disk-like format will allow a spectrometer of this type to rapidly determine the composition of unknown samples. Other advantages of the proposed correlation spectrometer are also discussed.

  17. Soil emissivity and reflectance spectra measurements.

    PubMed

    Sobrino, José A; Mattar, Cristian; Pardo, Pablo; Jiménez-Muñoz, Juan C; Hook, Simon J; Baldridge, Alice; Ibañez, Rafael

    2009-07-01

    We present an analysis of the laboratory reflectance and emissivity spectra of 11 soil samples collected on different field campaigns carried out over a diverse suite of test sites in Europe, North Africa, and South America from 2002 to 2008. Hemispherical reflectance spectra were measured from 2.0 to 14 microm with a Fourier transform infrared spectrometer, and x-ray diffraction analysis (XRD) was used to determine the mineralogical phases of the soil samples. Emissivity spectra were obtained from the hemispherical reflectance measurements using Kirchhoff's law and compared with in situ radiance measurements obtained with a CIMEL Electronique CE312-2 thermal radiometer and converted to emissivity using the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) temperature and emissivity separation algorithm. The CIMEL has five narrow bands at approximately the same positions as the ASTER. Results show a root mean square error typically below 0.015 between laboratory emissivity measurements and emissivity measurements derived from the field radiometer.

  18. Janus Spectra in Two-Dimensional Flows.

    PubMed

    Liu, Chien-Chia; Cerbus, Rory T; Chakraborty, Pinaki

    2016-09-01

    In large-scale atmospheric flows, soap-film flows, and other two-dimensional flows, the exponent of the turbulent energy spectra, α, may theoretically take either of two distinct values, 3 or 5/3, but measurements downstream of obstacles have invariably revealed α=3. Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which α transitions from 3 to 5/3 for the streamwise fluctuations but remains equal to 3 for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows. PMID:27661693

  19. FAST INVERSION OF SOLAR Ca II SPECTRA

    SciTech Connect

    Beck, C.; Choudhary, D. P.; Rezaei, R.; Louis, R. E.

    2015-01-10

    We present a fast (<<1 s per profile) inversion code for solar Ca II lines. The code uses an archive of spectra that are synthesized prior to the inversion under the assumption of local thermodynamic equilibrium (LTE). We show that it can be successfully applied to spectrograph data or more sparsely sampled spectra from two-dimensional spectrometers. From a comparison to a non-LTE inversion of the same set of spectra, we derive a first-order non-LTE correction to the temperature stratifications derived in the LTE approach. The correction factor is close to unity up to log τ ∼ –3 and increases to values of 2.5 and 4 at log τ = –6 in the quiet Sun and the umbra, respectively.

  20. [Vibrational spectra of Hetian nephrite from Xinjiang].

    PubMed

    Zhang, Yong-wang; Liu, Yan; Liu, Tao-tao; Muhetaer, Zari; Liu, Yuan-qing

    2012-02-01

    In previous studies, EMPA, PIXE and others were employed to study the chemical compositions of nephrite separately without a systematical measurement. In the present study, XRF, XRD, IR and LR were used together to examine chemical and spectra characteristics of white, green and black nephrite from Hetian, Xinjiang. XRD results indicate that all nephrite samples consist of tremolite. Then IR spectra of nephrite samples suggest that the M-OH stretching vibration bands show that the M1 and M3 sites are not only occupied by Mg2+ and Fe2+, but also by Fe3+, which is consistent with the chemical compositions of these samples. This information might be useful to understanding the variety of nephrite. Their Raman spectra are almost the same, while some differences exist because of different content of FeO/Fe2O3.

  1. Multifrequency spectra of BL Lac objects

    NASA Technical Reports Server (NTRS)

    Urry, C. M.; Kondo, Y.; Mufson, S. L.; Wandel, A.

    1988-01-01

    A program to obtain simultaneous multifrequency spectra of BL Lacertae objects that are known X-ray sources is discussed. The IUE spectra are generally featureless and well-fitted by power law models. For the faintest exposures, Gaussian extraction of the spectrum can greatly impove the signal-to-noise. Most program objects vary in the ultraviolet, although the time scales are not known because of limited observing time. The broadband spectra of BL Lacs exhibit a range of characteristics but the curvature is always downward and the shape is generally smooth. This can be interpreted as synchrotron emission from a relativistic jet; different jet models are possible, and each allows a range of values for the bulk velocity, magnetic field strength, and electron density. Synchrotron models are not required, however an accretion disk model also gives a good fit to the ultraviolet-through-X-ray continuum.

  2. Janus Spectra in Two-Dimensional Flows

    NASA Astrophysics Data System (ADS)

    Liu, Chien-Chia; Cerbus, Rory T.; Chakraborty, Pinaki

    2016-09-01

    In large-scale atmospheric flows, soap-film flows, and other two-dimensional flows, the exponent of the turbulent energy spectra, α , may theoretically take either of two distinct values, 3 or 5 /3 , but measurements downstream of obstacles have invariably revealed α =3 . Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which α transitions from 3 to 5 /3 for the streamwise fluctuations but remains equal to 3 for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows.

  3. Thermal Infrared Spectra of Experimentally Shocked Albitite

    NASA Astrophysics Data System (ADS)

    Johnson, J. R.; Horz, F.; Lucey, P.; Christensen, P.

    2002-12-01

    We have acquired thermal infrared (3-40 microns) hemispherical reflectance and emissivity spectra of shocked samples of a fine-grained (1-5 mm) albitite from Szklary, Poland to determine the spectral degradation effects of shocked albite as a function of increasing shock pressures (17-56 GPa). Reflectance data were acquired using a Nicolet 5SXC FTIR spectrometer at the HIGP, University of Hawaii, and emission spectra were acquired using a Nicolet Nexus 670 emission spectrometer at Arizona State University. These data complement similar previous measurements of experimentally shocked anorthosite relevant to interpreting spectra provided by the Thermal Emission Spectrometer (TES) on Mars Global Surveyor. The samples were shocked using the 25-mm barrel gun at Johnson Space Center and provided ~400 mg per sample. Large (2-10 mm) chips of recovered material were separated from the samples and washed to remove clinging fines, and the residual was powdered to provide a consistent grain size (~20 microns). Spectra were obtained of both the chips and the powder samples. Results for the chips show a progressive loss of spectral features and contrast compared to unshocked samples, while results for the powders show a reduction in the depth of the transparency feature located near 855 wavenumbers (11.7 microns) with increasing pressure. The albite structure retains its crystalline state to higher pressures than anorthosites, consistent with previous transmission spectra. Additional visible/near-infrared (0.35-2.50 microns) measurements of the powdered albitite and anorthosite samples also were acquired at the RELAB facility. These spectra show a decrease in albedo and a loss of water bands near 1.4 and 1.9 microns with increasing pressure. The broad feldspar absorption near 1.25 microns was not present in the albitite sample (possibly due to its fine original grain size) but was present in the anorthosite sample, where its band depth decreased with increasing shock pressures.

  4. Unmixing Space Object's Moderate Resolution Spectra

    NASA Astrophysics Data System (ADS)

    Dao, P.; Dentamaro, A.; Ryan, B.; Ryan, E.

    2013-09-01

    Many non-resolved techniques have been proposed and explored to infer space object's characteristics that may lend insight to object's identification and status. The latter attributes are hard to obtain in the absence of resolved imagery, as for objects not in Low Earth Orbit or for small-sized ones. Spectral unmixing is a non-resolved technique that derives an object's material composition from one or a series of spectra. While spectral unmixing techniques have been tested with space objects and spectrometric visible spectra, with spectral width smaller than 0.4 nanometers and over 100 spectral channels, its success against moderately resolved spectra has not been verified. An example of a moderate resolution sensor is that of a slit-less spectrograph which is desirable because of its simple implementation and arguably better temporal fidelity than systems with a slit. A moderate number of spectral bands are considered a challenge when the number of bands is much smaller than the number of material candidate spectra. We develop the Spectral Unmixing for Space Objects (SUSO) algorithm based on Sparse Recovery optimization techniques to deal with this challenge. Sparse recovery, a specialty area of Compressive Sensing, capitalizes on the knowledge that, while the number of candidate materials is expansive, the external surface of a satellite is effectively composed of a few representative materials. We discuss the technique and show the results of applying it on a number of simulated and measured spectra. Simulated signatures are in the Visible and reflective IR, and measured signatures were made with the Magdalena Ridge Observatory's slit-less spectrograph which is based on a CCD and grating combination mounted on a 2.4 m telescope. We studied the preservation of temporal information when a time series of spectra is analyzed by SUSO and the prospect of augmenting typical shape recovery with material attribution.

  5. Rotational Spectra of Phenylalanine, Tirosine and Tryptophan

    NASA Astrophysics Data System (ADS)

    Mata, S.; Perez, C.; Sanz, M. E.; Blanco, S.; López, J. C.; Alonso, J. L.

    2009-06-01

    The rotational spectra of the aromatic natural amino acids phenylalanine, tyrosine and tryptophan have been investigated by Laser Ablation Molecular Beam Fourier transform Microwave Spectroscopy LA-MB-FTMW. The spectra of two rotamers of phenylalanine have been detected in the supersonic expansion. Both forms are stabilized by a chain of intramolecular hydrogen bonds O-H\\cdotsN-H\\cdots{π}, being the carboxylic group incis configuration. One conformer of tyrosine, which only differs from phenylalanine in a -OH group inpara position, has been also characterized. Preliminary results on the rotational spectrum of tryptophan are presented.

  6. Gravitational effects on planetary neutron flux spectra

    NASA Astrophysics Data System (ADS)

    Feldman, W. C.; Drake, D. M.; O'dell, R. D.; Brinkley, F. W.; Anderson, R. C.

    1989-01-01

    The effects of gravity on the planetary neutron flux spectra for planet Mars, and the lifetime of the neutron, were investigated using a modified one-dimensional diffusion accelerated neutral-particle transport code, coupled with a multigroup cross-section library tailored specifically for Mars. The results showed the presence of a qualitatively new feature in planetary neutron leakage spectra in the form of a component of returning neutrons with kinetic energies less than the gravitational binding energy (0.132 eV for Mars). The net effect is an enhancement in flux at the lowest energies that is largest at and above the outermost layer of planetary matter.

  7. Parallel Genetic Algorithm for Alpha Spectra Fitting

    NASA Astrophysics Data System (ADS)

    García-Orellana, Carlos J.; Rubio-Montero, Pilar; González-Velasco, Horacio

    2005-01-01

    We present a performance study of alpha-particle spectra fitting using parallel Genetic Algorithm (GA). The method uses a two-step approach. In the first step we run parallel GA to find an initial solution for the second step, in which we use Levenberg-Marquardt (LM) method for a precise final fit. GA is a high resources-demanding method, so we use a Beowulf cluster for parallel simulation. The relationship between simulation time (and parallel efficiency) and processors number is studied using several alpha spectra, with the aim of obtaining a method to estimate the optimal processors number that must be used in a simulation.

  8. AIS-2 spectra of California wetland vegetation

    NASA Technical Reports Server (NTRS)

    Gross, Michael F.; Ustin, Susan L.; Klemas, Vytautas

    1987-01-01

    Spectral data gathered by Airborne Imaging Spectrometers-2 from wetlands were analyzed. Spectra representing stands of green Salicornia virginica, green Sesuvium verrucosum, senescing Distichlis spicata, a mixture of senescing Scirpus acutus and Scirpus californicus, senescing Scirpus paludosus, senescent S. paludosus, mowed senescent S. paludosus, and soil were isolated. No difference among narrowband spectral reflectance of the cover types was apparent between 0.8 to 1.6 micron. There were, however, broadband differences in brightness. These differences were sufficient to permit a fairly accurate decomposition of the image into its major cover type components using a procedure that assumes an additive linear mixture of surface spectra.

  9. Separating Peaks in X-Ray Spectra

    NASA Technical Reports Server (NTRS)

    Nicolas, David; Taylor, Clayborne; Wade, Thomas

    1987-01-01

    Deconvolution algorithm assists in analysis of x-ray spectra from scanning electron microscopes, electron microprobe analyzers, x-ray fluorescence spectrometers, and like. New algorithm automatically deconvolves x-ray spectrum, identifies locations of spectral peaks, and selects chemical elements most likely producing peaks. Technique based on similarities between zero- and second-order terms of Taylor-series expansions of Gaussian distribution and of damped sinusoid. Principal advantage of algorithm: no requirement to adjust weighting factors or other parameters when analyzing general x-ray spectra.

  10. FIT3D: Fitting optical spectra

    NASA Astrophysics Data System (ADS)

    Sánchez, S. F.; Pérez, E.; Sánchez-Blázquez, P.; González, J. J.; Rosales-Ortega, F. F.; Cano-Díaz, M.; López-Cobá, C.; Marino, R. A.; Gil de Paz, A.; Mollá, M.; López-Sánchez, A. R.; Ascasibar, Y.; Barrera-Ballesteros, J.

    2016-09-01

    FIT3D fits optical spectra to deblend the underlying stellar population and the ionized gas, and extract physical information from each component. FIT3D is focused on the analysis of Integral Field Spectroscopy data, but is not restricted to it, and is the basis of Pipe3D, a pipeline used in the analysis of datasets like CALIFA, MaNGA, and SAMI. It can run iteratively or in an automatic way to derive the parameters of a large set of spectra.

  11. Algorithms for classification of astronomical object spectra

    NASA Astrophysics Data System (ADS)

    Wasiewicz, P.; Szuppe, J.; Hryniewicz, K.

    2015-09-01

    Obtaining interesting celestial objects from tens of thousands or even millions of recorded optical-ultraviolet spectra depends not only on the data quality but also on the accuracy of spectra decomposition. Additionally rapidly growing data volumes demands higher computing power and/or more efficient algorithms implementations. In this paper we speed up the process of substracting iron transitions and fitting Gaussian functions to emission peaks utilising C++ and OpenCL methods together with the NOSQL database. In this paper we implemented typical astronomical methods of detecting peaks in comparison to our previous hybrid methods implemented with CUDA.

  12. NMR spectra of androstane analogs of brassinosteroids

    NASA Astrophysics Data System (ADS)

    Baranovskii, A. V.; Litvinovskaya, R. P.; Aver'kova, M. A.; Khripach, N. B.; Khripach, V. A.

    2007-09-01

    We have used two-dimensional NMR spectroscopy to make a complete assignment of signals from the nuclei of hydrogen and carbon atoms in the spectra of brassinosteroids in the androstane series. We have confirmed the stereochemistry of the chiral centers and the structure of the molecules. We have studied the effect of the configuration of the 2,3-diol groups in the A ring of the steroids on the chemical shift of adjacent atoms in the 13C and 1H NMR spectra.

  13. Rotational Spectra of Adrenaline and Noradrenaline

    NASA Astrophysics Data System (ADS)

    Cortijo, V.; López, J. C.; Alonso, J. L.

    2009-06-01

    The emergence of Laser Ablation Molecular Beam Fourier Transform Microwave (LA-MB-FTMW) spectroscopy has rendered accessible the gas-phase study of solid biomolecules with high melting points. Among the biomolecules to benefit from this technique, neurotransmitters have received special attention due to the lack of experimental information and their biological relevance. As a continuation of the we present the study of adrenaline and noradrenaline. The comparison between the experimental rotational and ^{14}N nuclear quadrupole coupling constants and those calculated ab initio provide a definitive test for molecular structures and confirm unambiguously the identification of four conformers of adrenaline and three conformers of noradrenaline. Their relative population in the jet has been evaluated by relative intensity measurements of selected rotational transitions. The most abundant conformer in both neurotransmitters present an extended AG configuration with a O-H\\cdotsN hydrogen bond in the side chain. J.L. Alonso, M.E. Sanz, J.C. López and V. Cortijo, J. Am. Chem. Soc. (in press), 2009

  14. From plasmon spectra of metallic to vibron spectra of dielectric nanoparticles.

    PubMed

    Preston, Thomas C; Signorell, Ruth

    2012-09-18

    Light interacts surprisingly differently with small particles than with bulk or gas phase materials. This can cause rare phenomena such as the occurence of a "blue moon". Spectroscopic particle phenomena of similar physical origin have also spawned countless applications ranging from remote sensing to medicine. Despite the broad interest in particle spectra, their interpretation still poses many challenges. In this Account, we discuss the challenges associated with the analysis of infrared, or vibron, extinction spectra of small dielectric particles. The comparison with the more widely studied plasmon spectra of metallic nano-particles reveals many common features. The shape, size, and architecture of particles influence the band profiles in vibron and plasmon spectra in similar ways. However, the molecular structure of dielectric particles produces infrared spectral features that are more diverse and detailed or even unique to vibron spectra. More complexity means higher information content, but that also makes the spectra more difficult to interpret. Conventional models such as classical electromagnetic theory with a continuum description of the wavelength-dependent optical constants are often no longer applicable to these spectra. In cases where accurate optical constants are not available and for ultrafine particles, where the molecular structure and quantum effects become essential, researchers must resort to molecular models for light-particle interaction that do not require the prior knowledge of optical constants. In this Account, we illustrate how vibrational exciton approaches combined with molecular dynamics simulations and solid-state density functional calculations provide a viable solution to these challenges. Molecular models reveal two important characteristics of vibron spectra of small molecularly structured particles. The band profiles in vibron spectra are largely determined by transition dipole coupling between the molecules in a particle

  15. Gapless spin liquid ground state in the S = 1/2 vanadium oxyfluoride kagome antiferromagnet [NH4]2[C7H14N][V7O6F18].

    PubMed

    Clark, L; Orain, J C; Bert, F; De Vries, M A; Aidoudi, F H; Morris, R E; Lightfoot, P; Lord, J S; Telling, M T F; Bonville, P; Attfield, J P; Mendels, P; Harrison, A

    2013-05-17

    The vanadium oxyfluoride [NH(4)](2)[C(7)H(14)N][V(7)O(6)F(18)] (DQVOF) is a geometrically frustrated magnetic bilayer material. The structure consists of S = 1/2 kagome planes of V(4+) d(1) ions with S = 1 V(3+) d(2) ions located between the kagome layers. Muon spin relaxation measurements demonstrate the absence of spin freezing down to 40 mK despite an energy scale of 60 K for antiferromagnetic exchange interactions. From magnetization and heat capacity measurements we conclude that the S = 1 spins of the interplane V(3+) ions are weakly coupled to the kagome layers, such that DQVOF can be viewed as an experimental model for S = 1/2 kagome physics, and that it displays a gapless spin liquid ground state.

  16. Synthesis and crystal structure of bis(3-ammoniumphenyl) sulfone dinitrate [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S](NO{sub 3}){sub 2}

    SciTech Connect

    Mahroug, A.; Belhouchet, M. Mhiri, T.

    2013-07-15

    A new organic nitrate with the formula [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S](NO{sub 3}){sub 2}, has been prepared and analyzed by X-ray diffraction. This compound crystallizes in the orthorhombic system: a = 16.771 (3), b = 13.884(2), c = 13.884(2) A, V = 3232.7(7)A{sup 3}, Z = 8, space group Pna2{sub 1}. Crystal structure can be described as a succession of organic and inorganic layers parallel to b, c plane. H-bonds between the different species play an important role in the three-dimensional network cohesion.

  17. Calculated late time spectra of supernovae

    SciTech Connect

    Axelrod, T.S.

    1987-10-30

    We consider here the nebular phase spectra of supernovae whose late time luminosity is provided by the radioactive decay of /sup 56/Ni and /sup 56/Co synthesized in the explosion. A broad variety of supernovae are known or suspected to fall in this category. This includes all SNIa and SNIb, and at least some SNII, in particular SN1987a. At sufficiently late times the expanding supernova becomes basically nebular in character due to its decreasing optical depth. The spectra produced during this stage contain information on the density and abundance structure of the entire supernova, as opposed to spectra near maximum light which are affected only by the outermost layers. A numerical model for nebular spectrum formation is therefore potentially very valuable for answering currently outstanding questions about the post-explosion supernova structure. As an example, we can hope to determine the degree of mixing which occurs between the layers of the ''onion-skin'' abundance structure predicted by current one dimensional explosion calculations. In the sections which follow, such a numerical model is briefly described and then applied to SN1972e, a typical SNIa, SN1985f, an SNIb, and finally to SN1987a. In the case of SN1987a predicted spectra are presented for the wavelength range from 1 to 100 microns at a time 300 days after explosion. 18 refs., 6 figs.

  18. Stability properties of wines by absorption spectra

    NASA Astrophysics Data System (ADS)

    Larena, A.; Vega, J.

    1986-03-01

    The temporal evolution of absorption spectra (370-700 nm) of different spanish wines has been studied by us under the influence of air presence, and the light exposition. In particular, we have exposed the wines to a magenta light. Nevertheless, the color coordinates of wine show a little relative variation (0.1-1 %)

  19. Discriminating Dysarthria Type from Envelope Modulation Spectra

    ERIC Educational Resources Information Center

    Liss, Julie M.; LeGendre, Sue; Lotto, Andrew J.

    2010-01-01

    Purpose: Previous research demonstrated the ability of temporally based rhythm metrics to distinguish among dysarthrias with different prosodic deficit profiles (J. M. Liss et al., 2009). The authors examined whether comparable results could be obtained by an automated analysis of speech envelope modulation spectra (EMS), which quantifies the…

  20. Variations on supersymmetry breaking and neutrino spectra

    SciTech Connect

    Borzumati, F.; Hamaguchi, K.; Nomura, Y.; Yanagida, T.

    2000-12-11

    The problem of generating light neutrinos within supersymmetric models is discussed. It is shown that the hierarchy of scales induced by supersymmetry breaking can give rise to suppression factors of the correct order of magnitude to produce experimentally allowed neutrino spectra.

  1. Prompt fission neutron spectra of actinides

    DOE PAGES

    Capote, R.; Chen, Y. -J.; Hambsch, F. -J.; Kornilov, N. V.; Lestone, J. P.; Litaize, O.; Morillon, B.; Neudecker, D.; Oberstedt, S.; Ohsawa, T.; et al

    2016-01-06

    Here, the energy spectrum of prompt neutrons emitted in fission (PFNS) plays a very important role in nuclear science and technology. A Coordinated Research Project (CRP) "Evaluation of Prompt Fission Neutron Spectra of Actinides" was established by the IAEA Nuclear Data Section in 2009, with the major goal to produce new PFNS evaluations with uncertainties for actinide nuclei.

  2. Vibrational Spectra of γ-Aminobutyric Acid

    NASA Astrophysics Data System (ADS)

    Suresh, D. M.; Sajan, D.; Laladas, K. P.; Joe, I. Hubert; Jayakumar, V. S.

    2008-11-01

    The NIR-FT Raman, FT-IR spectral analysis of γ-Aminobutyric acid (GABA) a simple amino acid is carried out by density functional computations. The vibrational spectra confirm the existence of NH3+ in GABA. Hydroxyl groups H-bonded to the different extents are analysed, supported by computed results.

  3. Correlation Functions Aid Analyses Of Spectra

    NASA Technical Reports Server (NTRS)

    Beer, Reinhard; Norton, Robert H., Jr.

    1989-01-01

    New uses found for correlation functions in analyses of spectra. In approach combining elements of both pattern-recognition and traditional spectral-analysis techniques, spectral lines identified in data appear useless at first glance because they are dominated by noise. New approach particularly useful in measurement of concentrations of rare species of molecules in atmosphere.

  4. EEG Power Spectra of Adolescent Poor Readers.

    ERIC Educational Resources Information Center

    Ackerman, Peggy T.; McPherson, W. Brian; Oglesby, D. Michael; Dykman, Roscoe A.

    1998-01-01

    Electroencephalographic power spectra were studied in two poor-reading adolescent groups (n=38), dysphonetic and phonetic. Significant Group x Hemisphere effects were found in the alpha and beta bands, with the phonetic group showing right greater than left asymmetry. Results suggest more circumscribed and mature processing in the phonetically…

  5. Temporal Evolution of Solar Energetic Particle Spectra

    NASA Astrophysics Data System (ADS)

    Doran, Donald J.; Dalla, Silvia

    2016-08-01

    During solar flares and coronal mass ejections, Solar Energetic Particles (SEPs) may be released into the interplanetary medium and near-Earth locations. The energy spectra of SEP events at 1 AU are typically averaged over the entire event or studied in a few snapshots. In this article we analyze the time evolution of the energy spectra of four large selected SEP events using a large number of snapshots. We use a multi-spacecraft and multi-instrument approach for the observations, obtained over a wide SEP energy range. We find large differences in the spectra at the beginning of the events as measured by different instruments. We show that over time, a wave-like structure is observed traveling through the spectra from the highest energies to the lowest energies, creating an "arch" shape that then straightens into a power law later in the event, after times on the order of 10 hours. We discuss the processes that determine SEP intensities and their role in shaping the spectral time evolution.

  6. Synthetic spectra for the Arizona Airglow Experiment

    SciTech Connect

    Johnston, J.E.; Hatfield, D.B.; Broadfoot, A.L.

    1994-12-31

    The Arizona Airglow Experiment (GLO) is a panchromatic Intensified CCD (ICCD) spectrograph, bore sighted with 12 monochromatic imagers. The spectrograph provides continuous spectral coverage from 1150 {angstrom} to 11,000 {angstrom} with a resolution of 5 {angstrom} to 20 {angstrom}. The spectrograph was designed to record simultaneously as much information as possible from a single column of gas. The resolution was selected to allow the determination of molecular emission vibrational and rotational structure. Molecular band emissions contain much more information than atomic lines, although interpretation of band emissions is more complicated. This complexity is due to the distribution of their energies over broad spectral ranges that overlap. The most productive method of interpreting molecular spectra is by modeling. The nature of the molecular transitions is well known, and synthetic spectra can be calculated to match the recorded spectrum accurately. Their knowledge of the transition probabilities allows accurate estimates of the intensity and shape of blended bands. It is the goal to synthesize all of the emissions recorded by the GLO as a tool to aid in detailed analysis of spectra. This work describes the approach used in calculating the synthetic spectra and references the source of parameters used for 14 band systems. This software utility will become a part of the GLO facility.

  7. Principal component analysis of phenolic acid spectra

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Phenolic acids are common plant metabolites that exhibit bioactive properties and have applications in functional food and animal feed formulations. The ultraviolet (UV) and infrared (IR) spectra of four closely related phenolic acid structures were evaluated by principal component analysis (PCA) to...

  8. Processing and classification of protein mass spectra.

    PubMed

    Hilario, Melanie; Kalousis, Alexandros; Pellegrini, Christian; Müller, Markus

    2006-01-01

    Among the many applications of mass spectrometry, biomarker pattern discovery from protein mass spectra has aroused considerable interest in the past few years. While research efforts have raised hopes of early and less invasive diagnosis, they have also brought to light the many issues to be tackled before mass-spectra-based proteomic patterns become routine clinical tools. Known issues cover the entire pipeline leading from sample collection through mass spectrometry analytics to biomarker pattern extraction, validation, and interpretation. This study focuses on the data-analytical phase, which takes as input mass spectra of biological specimens and discovers patterns of peak masses and intensities that discriminate between different pathological states. We survey current work and investigate computational issues concerning the different stages of the knowledge discovery process: exploratory analysis, quality control, and diverse transforms of mass spectra, followed by further dimensionality reduction, classification, and model evaluation. We conclude after a brief discussion of the critical biomedical task of analyzing discovered discriminatory patterns to identify their component proteins as well as interpret and validate their biological implications.

  9. Students' Mental Models of Atomic Spectra

    ERIC Educational Resources Information Center

    Körhasan, Nilüfer Didis; Wang, Lu

    2016-01-01

    Mental modeling, which is a theory about knowledge organization, has been recently studied by science educators to examine students' understanding of scientific concepts. This qualitative study investigates undergraduate students' mental models of atomic spectra. Nine second-year physics students, who have already taken the basic chemistry and…

  10. Acceleration spectra for subduction zone earthquakes

    USGS Publications Warehouse

    Boatwright, J.; Choy, G.L.

    1989-01-01

    We estimate the source spectra of shallow earthquakes from digital recordings of teleseismic P wave groups, that is, P+pP+sP, by making frequency dependent corrections for the attenuation and for the interference of the free surface. The correction for the interference of the free surface assumes that the earthquake radiates energy from a range of depths. We apply this spectral analysis to a set of 12 subduction zone earthquakes which range in size from Ms = 6.2 to 8.1, obtaining corrected P wave acceleration spectra on the frequency band from 0.01 to 2.0 Hz. Seismic moment estimates from surface waves and normal modes are used to extend these P wave spectra to the frequency band from 0.001 to 0.01 Hz. The acceleration spectra of large subduction zone earthquakes, that is, earthquakes whose seismic moments are greater than 1027 dyn cm, exhibit intermediate slopes where u(w)???w5/4 for frequencies from 0.005 to 0.05 Hz. For these earthquakes, spectral shape appears to be a discontinuous function of seismic moment. Using reasonable assumptions for the phase characteristics, we transform the spectral shape observed for large earthquakes into the time domain to fit Ekstrom's (1987) moment rate functions for the Ms=8.1 Michoacan earthquake of September 19, 1985, and the Ms=7.6 Michoacan aftershock of September 21, 1985. -from Authors

  11. Spectra of the supernova SN1999by

    NASA Astrophysics Data System (ADS)

    Gavin, M.

    1999-08-01

    Spectra of SN1999by by Maurice Gavin. 30cm SCT+Rainbow grating+MX9 CCD; dispersion 4nm/pixel. 1999 May 2, 6, 10; 15m-35m exp. Spectrogram [at top] electronically stretched; profiles via Pixwin software.

  12. Spin distribution of the H-cluster in the H(ox)-CO state of the [FeFe] hydrogenase from Desulfovibrio desulfuricans: HYSCORE and ENDOR study of (14)N and (13)C nuclear interactions.

    PubMed

    Silakov, Alexey; Wenk, Brian; Reijerse, Eduard; Albracht, Simon P J; Lubitz, Wolfgang

    2009-02-01

    Hydrogenases are enzymes which catalyze the reversible cleavage of molecular hydrogen into protons and electrons. In [FeFe] hydrogenases the active center is a 6Fe6S cluster, referred to as the "H-cluster." It consists of the redox-active binuclear subcluster ([2Fe](H)) coordinated by CN(-) and CO ligands and the cubane-like [4Fe-4S](H) subcluster which is connected to the protein via Cys ligands. One of these Cys ligands bridges to the [2Fe](H) subcluster. The CO-inhibited form of [FeFe] hydrogenase isolated from Desulfovibrio desulfuricans was studied using advanced EPR methods. In the H(ox)-CO state the open coordination site at the [2Fe](H) subcluster is blocked by extrinsic CO, giving rise to an EPR-active S = 1/2 species. The CO inhibited state was prepared with (13)CO and illuminated under white light at 273 K. In this case scrambling of the CO ligands occurs. Three (13)C hyperfine couplings of 17.1, 7.4, and 3.8 MHz (isotropic part) were observed and assigned to (13)CO at the extrinsic, the bridging, and the terminal CO-ligand positions of the distal iron, respectively. No (13)CO exchange of the CO ligand to the proximal iron was observed. The hyperfine interactions detected indicate a rather large distribution of the spin density over the terminal and bridging CO ligands attached to the distal iron. Furthermore, (14)N nuclear spin interactions were measured. On the basis of the observed (14)N hyperfine couplings, which result from the CN(-) ligands of the [2Fe](H) subcluster, it has been concluded that there is very little unpaired spin density on the cyanides of the binuclear subcluster.

  13. Synthesis, crystal structures, phase transition characterization and thermal decomposition of a new dabcodiium hexaaquairon(II) bis(sulfate): (C 6H 14N 2)[Fe(H 2O) 6](SO 4) 2

    NASA Astrophysics Data System (ADS)

    Yahyaoui, Samia; Rekik, Walid; Naïli, Houcine; Mhiri, Tahar; Bataille, Thierry

    2007-12-01

    The crystal structures of 1,4-diazabicyclo[2.2.2]octane (dabco)-templated iron sulfate, (C 6H 14N 2)[Fe(H 2O) 6](SO 4) 2, were determined at room temperature and at -173 °C from single-crystal X-ray diffraction. At 20 °C, it crystallises in the monoclinic symmetry, centrosymmetric space group P2 1/ n, Z=2, a=7.964(5), b=9.100(5), c=12.065(5) Å, β=95.426(5)° and V=870.5(8) Å 3. The structure consists of [Fe(H 2O) 6] 2+ and disordered (C 6H 14N 2) 2+ cations and (SO 4) 2- anions connected together by an extensive three-dimensional H-bond network. The title compound undergoes a reversible phase transition of the first-order at -2.3 °C, characterized by DSC, dielectric measurement and optical observations, that suggests a relaxor-ferroelectric behavior. Below the transition temperature, the compound crystallizes in the monoclinic system, non-centrosymmetric space group Cc, with eight times the volume of the ambient phase: a=15.883(3), b=36.409(7), c=13.747(3) Å, β=120.2304(8)°, Z=16 and V=6868.7(2) Å 3. The organic moiety is then fully ordered within a supramolecular structure. Thermodiffractometry and thermogravimetric analyses indicate that its decomposition proceeds through three stages giving rise to the iron oxide.

  14. An Interactive Gallery of Planetary Nebula Spectra

    NASA Astrophysics Data System (ADS)

    Kwitter, K. B.; Henry, R. B. C.

    2002-12-01

    We have created a website containing high-quality moderate-resolution spectra of 88 planetary nebulae (PNe) from 3600 to 9600 Å, obtained at KPNO and CTIO. Spectra are displayed in a zoomable window, and there are templates available that show wavelength and ion identifications. In addition to the spectra themselves, the website also contains a brief discussion of PNe as astronomical objects and as contributors to our understanding of stellar evolution, and a table with atlas information for each object along with a link to an image. This table can be re-ordered by object name, galactic or equatorial coordinates, distance from the sun, the galactic center, or the galactic plane. We envision that this website, which concentrates a large amount of data in one place, will be of interest to a variety of users. PN researchers might need to check the spectrum of a particular object of interest; the non-specialist astronomer might simply be interested in perusing such a collection of spectra; and finally, teachers of introductory astronomy can use this database to illustrate basic principles of atomic physics and radiation. To encourage such use, we have written two simple exercises at a basic level to introduce beginning astronomy students to the wealth of information that PN spectra contain. We are grateful to Adam Wang of the Williams College OIT and to his summer student teams who worked on various apects of the implementation of this website. This work has been supported by NSF grant AST-9819123 and by Williams College and the University of Oklahoma.

  15. Savannah River Site disaggregated seismic spectra

    SciTech Connect

    Stephenson, D.E.

    1993-02-01

    The objective of this technical note is to characterize seismic ground motion at the Savannah River Site (SRS) by postulated earthquakes that may impact facilities at the site. This task is accomplished by reviewing the deterministic and probabilistic assessments of the seismic hazard to establish the earthquakes that control the hazard to establish the earthquakes that control the hazard at the site and then evaluate the associated seismic ground motions in terms of response spectra. For engineering design criteria of earthquake-resistant structures, response spectra serve the function of characterizing ground motions as a function of period or frequency. These motions then provide the input parameters that are used in the analysis of structural response. Because they use the maximum response, the response spectra are an inherently conservative design tool. Response spectra are described in terms of amplitude, duration, and frequency content, and these are related to source parameters, travel path, and site conditions. Studies by a number of investigators have shown by statistical analysis that for different magnitudes the response spectrum values are different for differing periods. These facts support Jennings' position that using different shapes of design spectra for earthquakes of different magnitudes and travel paths is a better practice than employing a single, general-purpose shape. All seismic ground motion characterization results indicate that the PGA is controlled by a local event with M[sub w] < 6 and R < 30km. The results also show that lower frequencies are controlled by a larger, more distant event, typically the Charleston source. The PGA of 0.2 g, based originally on the Blume study, is consistent with LLNL report UCRL-15910 (1990) and with the DOE position on LLNL/EPRI.

  16. Savannah River Site disaggregated seismic spectra

    SciTech Connect

    Stephenson, D.E.

    1993-02-01

    The objective of this technical note is to characterize seismic ground motion at the Savannah River Site (SRS) by postulated earthquakes that may impact facilities at the site. This task is accomplished by reviewing the deterministic and probabilistic assessments of the seismic hazard to establish the earthquakes that control the hazard to establish the earthquakes that control the hazard at the site and then evaluate the associated seismic ground motions in terms of response spectra. For engineering design criteria of earthquake-resistant structures, response spectra serve the function of characterizing ground motions as a function of period or frequency. These motions then provide the input parameters that are used in the analysis of structural response. Because they use the maximum response, the response spectra are an inherently conservative design tool. Response spectra are described in terms of amplitude, duration, and frequency content, and these are related to source parameters, travel path, and site conditions. Studies by a number of investigators have shown by statistical analysis that for different magnitudes the response spectrum values are different for differing periods. These facts support Jennings` position that using different shapes of design spectra for earthquakes of different magnitudes and travel paths is a better practice than employing a single, general-purpose shape. All seismic ground motion characterization results indicate that the PGA is controlled by a local event with M{sub w} < 6 and R < 30km. The results also show that lower frequencies are controlled by a larger, more distant event, typically the Charleston source. The PGA of 0.2 g, based originally on the Blume study, is consistent with LLNL report UCRL-15910 (1990) and with the DOE position on LLNL/EPRI.

  17. Improved predictions of reactor antineutrino spectra

    SciTech Connect

    Mueller, Th. A.; Lhuillier, D.; Letourneau, A.

    2011-05-15

    Precise predictions of the antineutrino spectra emitted by nuclear reactors is a key ingredient in measurements of reactor neutrino oscillations as well as in recent applications to the surveillance of power plants in the context of nonproliferation of nuclear weapons. We report new calculations including the latest information from nuclear databases and a detailed error budget. The first part of this work is the so-called ab initio approach where the total antineutrino spectrum is built from the sum of all {beta} branches of all fission products predicted by an evolution code. Systematic effects and missing information in nuclear databases lead to final relative uncertainties in the 10-20% range. A prediction of the antineutrino spectrum associated with the fission of {sup 238}U is given based on this ab initio method. For the dominant isotopes we developed a more accurate approach combining information from nuclear databases and reference electron spectra associated with the fission of {sup 235}U, {sup 239}Pu, and {sup 241}Pu, measured at Institut Laue-Langevin (ILL) in the 1980s. We show how the anchor point of the measured total {beta} spectra can be used to suppress the uncertainty in nuclear databases while taking advantage of all the information they contain. We provide new reference antineutrino spectra for {sup 235}U, {sup 239}Pu, and {sup 241}Pu isotopes in the 2-8 MeV range. While the shapes of the spectra and their uncertainties are comparable to those of the previous analysis of the ILL data, the normalization is shifted by about +3% on average. In the perspective of the reanalysis of past experiments and direct use of these results by upcoming oscillation experiments, we discuss the various sources of errors and their correlations as well as the corrections induced by off-equilibrium effects.

  18. Raman spectra of carotenoids in natural products.

    PubMed

    Withnall, Robert; Chowdhry, Babur Z; Silver, Jack; Edwards, Howell G M; de Oliveira, Luiz F C

    2003-08-01

    Resonance Raman spectra of naturally occurring carotenoids have been obtained from nautilus, periwinkle (Littorina littorea) and clam shells under 514.5 nm excitation and these spectra are compared with the resonance Raman spectra obtained in situ from tomatoes, carrots, red peppers and saffron. The tomatoes, carrots and red peppers gave rise to resonance Raman spectra exhibiting a nu1 band at ca. 1520 cm(-1), in keeping with its assignment to carotenoids with ca. nine conjugated carbon-carbon double bonds in their main chains, whereas the resonance Raman spectrum of saffron showed a nu1 band at 1537 cm(-1) which can be assigned to crocetin, having seven conjugated carbon-carbon double bonds. A correlation between nu1 wavenumber location and effective conjugated chain length has been used to interpret the data obtained from the shells, and the wavenumber position (1522 cm(-1)) of the nu1 band of the carotenoid in the orange clam shell suggests that it contains nine conjugated double bonds in the main chain. However, the black periwinkle and nautilus shells exhibit nu1 bands at 1504 and 1496 cm(-1), respectively. On the basis of the correlation between nu1 wavenumber location and effective conjugated chain length, this indicates that they contain carotenoids with longer conjugated chains, the former having ca. 11 double bonds and the latter ca. 13 or even more. Raman spectra of the nautilus, periwinkle and clam shells also exhibited a strong band at 1085 cm(-1) and a doublet with components at 701 and 705 cm(-1), which can be assigned to biogenic calcium carbonate in the aragonite crystallographic form. PMID:12909134

  19. Raman spectra of carotenoids in natural products

    NASA Astrophysics Data System (ADS)

    Withnall, Robert; Chowdhry, Babur Z.; Silver, Jack; Edwards, Howell G. M.; de Oliveira, Luiz F. C.

    2003-08-01

    Resonance Raman spectra of naturally occurring carotenoids have been obtained from nautilus, periwinkle ( Littorina littorea) and clam shells under 514.5 nm excitation and these spectra are compared with the resonance Raman spectra obtained in situ from tomatoes, carrots, red peppers and saffron. The tomatoes, carrots and red peppers gave rise to resonance Raman spectra exhibiting a ν1 band at ca. 1520 cm -1, in keeping with its assignment to carotenoids with ca. nine conjugated carboncarbon double bonds in their main chains, whereas the resonance Raman spectrum of saffron showed a ν1 band at 1537 cm -1 which can be assigned to crocetin, having seven conjugated carboncarbon double bonds. A correlation between ν1 wavenumber location and effective conjugated chain length has been used to interpret the data obtained from the shells, and the wavenumber position (1522 cm -1) of the ν1 band of the carotenoid in the orange clam shell suggests that it contains nine conjugated double bonds in the main chain. However, the black periwinkle and nautilus shells exhibit ν1 bands at 1504 and 1496 cm -1, respectively. On the basis of the correlation between ν1 wavenumber location and effective conjugated chain length, this indicates that they contain carotenoids with longer conjugated chains, the former having ca. 11 double bonds and the latter ca. 13 or even more. Raman spectra of the nautilus, periwinkle and clam shells also exhibited a strong band at 1085 cm -1 and a doublet with components at 701 and 705 cm -1, which can be assigned to biogenic calcium carbonate in the aragonite crystallographic form.

  20. Improved predictions of reactor antineutrino spectra

    NASA Astrophysics Data System (ADS)

    Mueller, Th. A.; Lhuillier, D.; Fallot, M.; Letourneau, A.; Cormon, S.; Fechner, M.; Giot, L.; Lasserre, T.; Martino, J.; Mention, G.; Porta, A.; Yermia, F.

    2011-05-01

    Precise predictions of the antineutrino spectra emitted by nuclear reactors is a key ingredient in measurements of reactor neutrino oscillations as well as in recent applications to the surveillance of power plants in the context of nonproliferation of nuclear weapons. We report new calculations including the latest information from nuclear databases and a detailed error budget. The first part of this work is the so-called ab initio approach where the total antineutrino spectrum is built from the sum of all β branches of all fission products predicted by an evolution code. Systematic effects and missing information in nuclear databases lead to final relative uncertainties in the 10-20% range. A prediction of the antineutrino spectrum associated with the fission of U238 is given based on this ab initio method. For the dominant isotopes we developed a more accurate approach combining information from nuclear databases and reference electron spectra associated with the fission of U235, Pu239, and Pu241, measured at Institut Laue-Langevin (ILL) in the 1980s. We show how the anchor point of the measured total β spectra can be used to suppress the uncertainty in nuclear databases while taking advantage of all the information they contain. We provide new reference antineutrino spectra for U235, Pu239, and Pu241 isotopes in the 2-8 MeV range. While the shapes of the spectra and their uncertainties are comparable to those of the previous analysis of the ILL data, the normalization is shifted by about +3% on average. In the perspective of the reanalysis of past experiments and direct use of these results by upcoming oscillation experiments, we discuss the various sources of errors and their correlations as well as the corrections induced by off-equilibrium effects.

  1. Discrimination of phytoplankton classes using characteristic spectra of 3D fluorescence spectra

    NASA Astrophysics Data System (ADS)

    Zhang, Qian-Qian; Lei, Shu-He; Wang, Xiu-Lin; Wang, Lei; Zhu, Chen-Jian

    2006-02-01

    The discrimination of phytoplankton classes using the characteristic fluorescence spectra extracted from three-dimensional fluorescence spectra was investigated. Single species cultures of 11 phytoplankton species, representing 5 major phytoplankton divisions, were used. The 3D fluorescence spectra of the cultures grown at different temperatures (20 and 15 °C) and illumination intensities (140, 80 and 30 μM m -2 s -1) were measured and their feature extraction methods were explored. Ordering Rayleigh and Raman scattering data as zero, the obtained excitation-emission matrices were processed by both singular value decomposition (SVD) and trilinear decomposition methods. The resulting first principal component can be regarded as the characteristic spectrum of the original 3D fluorescence spectrum. The analysis shows that such characteristic spectra have a discriminatory capability. At different temperatures, the characteristic spectra of Isochrysis galbana, Platymonas helgolanidica and Skeletonema costatuma have high degrees of similarity to their own species samples, while the spectra similarities of Alexandrium tamarense, Prorocentrum dentatum, Pseudo-nitzschia pungens, Chaetoceros curvisetus, Ch. Debilis, Ch. Didymus and Synechococcus sp. are not as significant as the other three species. C. curvisetus, Ch. Debilis and Ch. Didymus, belonging to genus Chaetoceros, have identical spectra and cannot be discriminated at all. Regarding all six diatom species as one class, the average discriminant error rate is below 9%. It is worth mentioning that the diatom class can be distinguished from A. tamarense and P. dentatum, which belong to Dinophyta.

  2. Reflectance spectra of mafic silicate-opaque assemblages with applications to meteorite spectra

    NASA Technical Reports Server (NTRS)

    Cloutis, Edward A.; Smith, Dorian G. W.; Lambert, Richard St. J.; Gaffey, Michael J.

    1990-01-01

    The addition of fine-grained magnetite to mafic silicate spectra can impart not only an overall blue slope, but also lower overall reflectance and band intensities. The reflectance spectra of the CO and CV magnetite-bearing carbonaceous chondrites are noted to exhibit many of these features; the low band depths of these meteorites suggest that an additional dark, neutral phase, such as ordered carbon, is present. Carbon + mafic silicate spectra possess a red overall slope at low amorphous carbon concentrations. The parent bodies of some of the darkest meteorites should exhibit spectral features attributable to mafic silicates.

  3. Thermal Infrared Spectra of Experimentally Shocked Basalt

    NASA Astrophysics Data System (ADS)

    Johnson, J. R.; Horz, F.

    2003-12-01

    We acquired thermal infrared (3-40 microns) emissivity and hemispherical reflectance spectra of experimentally shocked samples of a fine-grained basalt from Grand Falls, AZ to document the spectral effects of shock as a function of increasing shock pressures (17-57 GPa). This sample contains 25% pyroxene, 20% olivine, and 45% feldspar, making it a suitable analog to the Surface Type 1 (basalt) observed in Thermal Emission Spectrometer (TES) data of Mars. Reflectance data (3-14 microns) were acquired using a Nexus 470 FTIR spectrometer at the HIGP, University of Hawaii, and emission spectra (5-40 microns) were acquired using a Nicolet Nexus 670 emission spectrometer at Arizona State University. These data complement similar previous measurements of experimentally shocked plagioclase and pyroxene relevant to interpreting spectra provided by TES. The samples were shocked using the 25-mm barrel gun at Johnson Space Center and provided ~400 mg per sample. Large (2-10 mm) chips of recovered material were separated from the samples and washed to remove clinging fines, and the residual was powdered to provide a consistent grain size ( ˜20 microns). Spectra were obtained of both the chips and the powder samples. Results for the chips show a shift in band positions in the 900-1200 wavenumber (wn) region compared to unshocked samples, consistent with the structural degradation of feldspar and subsequent formation of maskelynite and glass. The development of a band near 460 wn at high pressures is also consistent with glass formation in feldspars. Conversely, absorptions related to pyroxene remain present even at high pressures, consistent with previous work. Results for the powders show little variations with increasing pressure except for the loss of minor transparency features in the 800-900 wn region. Additional visible/near-infrared (0.35-2.50 microns) measurements of the powdered basalt samples also will be acquired at the RELAB facility. Future work will include

  4. Primordial power spectra from anisotropic inflation

    SciTech Connect

    Dulaney, Timothy R.; Gresham, Moira I.

    2010-05-15

    We examine cosmological perturbations in a dynamical theory of inflation in which an Abelian gauge field couples directly to the inflaton, breaking conformal invariance. When the coupling between the gauge field and the inflaton takes a specific form, inflation becomes anisotropic and anisotropy can persist throughout inflation, avoiding Wald's no-hair theorem. After discussing scenarios in which anisotropy can persist during inflation, we calculate the dominant effects of a small persistent anisotropy on the primordial gravitational wave and curvature perturbation power spectra using the ''in-in'' formalism of perturbation theory. We find that the primordial power spectra of cosmological perturbations gain significant direction dependence and that the fractional direction dependence of the tensor power spectrum is suppressed in comparison to that of the scalar power spectrum.

  5. Ab initio infrared and Raman spectra

    NASA Technical Reports Server (NTRS)

    Fredkin, D. R.; White, S. R.; Wilson, K. R.; Komornicki, A.

    1983-01-01

    It is pointed out that with increased computer power and improved computational techniques, such as the gradients developed in recent years, it is becoming practical to compute spectra ab initio, from the fundamental constants of nature, for systems of increasing complexity. The present investigation has the objective to explore several possible ab initio approaches to spectra, giving particular attention to infrared and nonresonance Raman. Two approaches are discussed. The sequential approach, in which first the electronic part and then later the nuclear part of the Born-Oppenheimer approximation is solved, is appropriate for small systems. The simultaneous approach, in which the electronic and nuclear parts are solved at the same time, is more appropriate for many-atom systems. A review of the newer quantum gradient techniques is provided, and the infrared and Raman spectral band contours for the water molecule are computed.

  6. Raman spectra of deuteriated taurine single crystals

    NASA Astrophysics Data System (ADS)

    Souza, J. M. de; Lima, R. J. C.; Freire, P. T. C.; Sasaki, J. M.; Melo, F. E. A.; Filho, J. Mendes; Jones, Derry W.

    2005-05-01

    The polarized Raman spectra of partially deuteriated taurine [(ND 3+) 0.65(NH 3+) 0.35(CH 2) 2SO 3-] crystals from x( zz) x and x( zy) x scattering geometries of the A g and B g irreducible representations of the factor group C 2h are reported. The temperature-dependent Raman spectra of partially deuteriated taurine do not reveal any evidence of the structural phase transition undergone by normal taurine at about 250 K, but an anomaly observed in the 180 cm -1 band at ˜120 K implies a different dynamic for this band (which is involved in a pressure-induced phase transition) in the deuteriated crystal.

  7. Raman spectra of shocked minerals. I. Olivine

    SciTech Connect

    Heymann, D.; Celucci, T.A.

    1988-12-01

    The Raman spectra of olivine contained in a chip of the Twin Sisters Peak (Washington) dunite shocked to 22.2 GPa is shown to be identical to that of unshocked olivine in the same rock. The Raman spectra of powder of the rock shocked to 20.1 GPa and of chips shocked to 59.5 GPa and 60.7 GPa display strong and broad low-frequency features with crests at 475/cm, 556/cm, and 572/cm, and broad high-frequency features near 1100/cm. It is suggested that these features are due to the formation of olivine glass with a considerable degree of three-dimensional Si-O-Si linkage having scattered domains of greatly variable grain size, internal structure, and chemical composition. 54 references.

  8. Raman spectra of shocked minerals. I - Olivine

    NASA Technical Reports Server (NTRS)

    Heymann, D.; Celucci, T. A.

    1988-01-01

    The Raman spectra of olivine contained in a chip of the Twin Sisters Peak (Washington) dunite shocked to 22.2 GPa is shown to be identical to that of unshocked olivine in the same rock. The Raman spectra of powder of the rock shocked to 20.1 GPa and of chips shocked to 59.5 GPa and 60.7 GPa display strong and broad low-frequency features with crests at 475/cm, 556/cm, and 572/cm, and broad high-frequency features near 1100/cm. It is suggested that these features are due to the formation of olivine glass with a considerable degree of three-dimensional Si-O-Si linkage having scattered domains of greatly variable grain size, internal structure, and chemical composition.

  9. Control of photodetachment spectra through laser dressing

    NASA Astrophysics Data System (ADS)

    Morrison, Nathan; Greene, Chris

    2013-05-01

    Photodetachment and photoionization spectra often display rich resonance structures. The properties of these spectra can be modified through dressing with intense laser fields, providing control over photon absorption and the emitted electron. We present a Floquet R-matrix method for calculating photodetachment cross sections in the presence of a dressing laser. The full wave functions in the Floquet formalism for bound and escaping electrons are found by solving the Schrödinger equation near the atomic core and applying analytic boundary conditions outside of the interaction region. These calculations are used to investigate the modification of existing resonances, such as modifying the shape, or q parameter, of Feshbach resonances. We also investigate the creation of new resonances in cases where high-lying bound states become autoionizing through the absorption of dressing laser photons. This work was supported by the DOE.

  10. Infrared spectra of FHF - in alkali halides

    NASA Astrophysics Data System (ADS)

    Chunnilall, C. J.; Sherman, W. F.

    1982-03-01

    The bifluoride ion, FHF -, has been substitutionally isolated within single crystal samples of several different alkali halides. Infrared spectra of these crystals have been studied for sample temperatures down to 8K when half-bandwidths of less than 1 cm -1 have been observed. (Note that at room temperature ν 3 is observed to have a half-bandwidth of about 40 cm -1). The frequency shifts and half-bandwidth changes caused by cooling are considered together with the frequency shifts caused by pressures up to 10 k bar. The low temperature spectra clearly indicate that FHF - is a linear symmetrical ion when substitutionally isolated within alkali halides of either the NaCl or CsCl structure.

  11. Raman spectra of seven interplanetary dust particles

    NASA Technical Reports Server (NTRS)

    Xu, Yin-Lin; Yu, Min; Fan, Chang-Yun

    1992-01-01

    The Raman shift spectra of seven interplanetary dust particles, U2034(F10), U2034(F8), U2022(B1), W7074 18, W7074 C15, W7074 C3 and W7074 A7, were measured with a Spex-1403 Raman spectrograph. The exciting radiations were the 488 nm and 514 nm line of a 5W argon ion laser. All seven spectra exhibit the 1350 and 1600 Delta/cm arbon bands, implying that the Interplanetary dust particles were coated with hydrocarbon and incompletely crystallized carbon, the part of which may be the residue of hydrocarbon contents in the particles after water loss by the heating during their entry into the earth's atmosphere. A weak band structure in the 520-610/cm range could be caused by cyclosilicates, and a weak band at 2900/cm is tentatively identified as due to hydrocarbon molecules.

  12. Analysis of spectra using correlation functions

    NASA Technical Reports Server (NTRS)

    Beer, Reinhard; Norton, Robert H.

    1988-01-01

    A novel method is presented for the quantitative analysis of spectra based on the properties of the cross correlation between a real spectrum and either a numerical synthesis or laboratory simulation. A new goodness-of-fit criterion called the heteromorphic coefficient H is proposed that has the property of being zero when a fit is achieved and varying smoothly through zero as the iteration proceeds, providing a powerful tool for automatic or near-automatic analysis. It is also shown that H can be rendered substantially noise-immune, permitting the analysis of very weak spectra well below the apparent noise level and, as a byproduct, providing Doppler shift and radial velocity information with excellent precision. The technique is in regular use in the Atmospheric Trace Molecule Spectroscopy (ATMOS) project and operates in an interactive, realtime computing environment with turn-around times of a few seconds or less.

  13. Anharmonic Vibrational Spectra of Hydrogen Bonded Clusters

    NASA Astrophysics Data System (ADS)

    Xantheas, Sotiris S.

    2006-03-01

    We report anharmonic vibrational spectra for a variety of hydrogen bonded clusters such as (H2O)n and (HF)n, n=1-5. We investigate the convergence of the hydrogen bonded frequencies with basis set and level of electron correlation and compare with the available experimental data. For this purpose we employ the correlation-consistent basis sets up to quintuple zeta (5z) quality and compute the spectra at the second order Møller-Plesset (MP2) and Coupled Cluster plus Single and Double with perturbative estimate of Triple excitations [CCSD(T)]. The correlation between the calculated elongations in the hydrogen bonding stretches and the corresponding computed/observed vibrational frequencies suggest an extension of Badger's rule for these hydrogen bonded systems.

  14. Cathodoluminescence spectra of gallium nitride nanorods

    PubMed Central

    2011-01-01

    Gallium nitride [GaN] nanorods grown on a Si(111) substrate at 720°C via plasma-assisted molecular beam epitaxy were studied by field-emission electron microscopy and cathodoluminescence [CL]. The surface topography and optical properties of the GaN nanorod cluster and single GaN nanorod were measured and discussed. The defect-related CL spectra of GaN nanorods and their dependence on temperature were investigated. The CL spectra along the length of the individual GaN nanorod were also studied. The results reveal that the 3.2-eV peak comes from the structural defect at the interface between the GaN nanorod and Si substrate. The surface state emission of the single GaN nanorod is stronger as the diameter of the GaN nanorod becomes smaller due to an increased surface-to-volume ratio. PMID:22168896

  15. Creating semiconductor metafilms with designer absorption spectra.

    PubMed

    Kim, Soo Jin; Fan, Pengyu; Kang, Ju-Hyung; Brongersma, Mark L

    2015-01-01

    The optical properties of semiconductors are typically considered intrinsic and fixed. Here we leverage the rapid developments in the field of optical metamaterials to create ultrathin semiconductor metafilms with designer absorption spectra. We show how such metafilms can be constructed by placing one or more types of high-index semiconductor antennas into a dense array with subwavelength spacings. It is argued that the large absorption cross-section of semiconductor antennas and their weak near-field coupling open a unique opportunity to create strongly absorbing metafilms whose spectral absorption properties directly reflect those of the individual antennas. Using experiments and simulations, we demonstrate that near-unity absorption at one or more target wavelengths of interest can be achieved in a sub-50-nm-thick metafilm using judiciously sized and spaced Ge nanobeams. The ability to create semiconductor metafilms with custom absorption spectra opens up new design strategies for planar optoelectronic devices and solar cells. PMID:26184335

  16. Creating semiconductor metafilms with designer absorption spectra

    PubMed Central

    Kim, Soo Jin; Fan, Pengyu; Kang, Ju-Hyung; Brongersma, Mark L.

    2015-01-01

    The optical properties of semiconductors are typically considered intrinsic and fixed. Here we leverage the rapid developments in the field of optical metamaterials to create ultrathin semiconductor metafilms with designer absorption spectra. We show how such metafilms can be constructed by placing one or more types of high-index semiconductor antennas into a dense array with subwavelength spacings. It is argued that the large absorption cross-section of semiconductor antennas and their weak near-field coupling open a unique opportunity to create strongly absorbing metafilms whose spectral absorption properties directly reflect those of the individual antennas. Using experiments and simulations, we demonstrate that near-unity absorption at one or more target wavelengths of interest can be achieved in a sub-50-nm-thick metafilm using judiciously sized and spaced Ge nanobeams. The ability to create semiconductor metafilms with custom absorption spectra opens up new design strategies for planar optoelectronic devices and solar cells. PMID:26184335

  17. Simulation of mammographic x-ray spectra.

    PubMed

    Johnson, G A; O'Foghludha, F

    1980-01-01

    Attempts to simulate Mo-anode spectra for film mammography by using Mo filters with W-anode tubes have been reported by several workers, and others have generated W-like continua for xeromammographic purposes by heavy Al filtration of Mo-anode tubes. In the present work the success of these simulations was tested by Si(Li) spectrometric methods that measured the spectral shapes and the exposure levels. Comparisons of Mo-anode/Al-filter with W-anode/Al-filter combinations were made, and also of W-anode/M-filter with Mo-anode/Mo-folter combinations. In certain circumstance the spectral shape is moderately well simulated but in all cases the useful output is less in the simulations than in the original spectra. The general conclusion is that simulation is always less attractive than direct use of the desired anode. PMID:7393143

  18. Simulation of mammographic x-ray spectra

    SciTech Connect

    Johnson, G.A.; O'Foghludha, F.

    1980-05-01

    Attempts to simulate Mo-anode spectra for film mammography by using Mo filters with W-anode tubes have been reported by several workers, and others have generated W-like continua for xeromammographic purposes by heavy A1 filtration of Mo-anode tubes. In the present work the success of these simulations was tested by Si(Li) spectrometric methods that measured the spectral shapes and the exposure levels. Comparisons of Mo-anode/A1-filter with W-anode/A1-filter combinations were made, and also of W-anode/M-filter with Mo-anode/Mo-folter combinations. In certain circumstance the spectral shape is moderately well simulated but in all cases the useful output is less in the simulations than in the original spectra. The general conclusion is that simulation is always less attractive than direct use of the desired anode.

  19. Neutron Spectra in a 15 MV LINAC

    SciTech Connect

    Vega-Carrillo, H. R.; Chu, Wei-Han; Tung, Chuan-Jong; Lan, Jen-Hong

    2010-12-07

    Neutron spectra were calculated inside the treatment hall of a 15 MV LINAC, calculations were carried out using Monte Carlo methods. With a Bonner sphere spectrometer with pairs of thermoluminiscent dosimeters the neutron spectrum at 100 cm from the isocenter was measured and compared with the calculated spectrum. All the spectra in the treatment hall show the presence of evaporation and knock-on neutrons; also the room-return due to the hall features is shown. In the maze the large contribution are due to epithermal and thermal neutrons. A good agreement between the calculated and measured spectrum at 100 cm was noticed, from this comparison the differences are attributed to the water content in the concrete of the hall.

  20. Energy spectra in elasto-inertial turbulence

    NASA Astrophysics Data System (ADS)

    Valente, P. C.; da Silva, C. B.; Pinho, F. T.

    2016-07-01

    Direct numerical simulations of statistically steady homogeneous isotropic turbulence in viscoelastic fluids described by the FENE-P model are presented. Emphasis is given to large polymer relaxation times compared to the eddy turnover time, which is a regime recently termed elasto-inertial turbulence. In this regime the polymers are ineffective in dissipating kinetic energy but they play a lead role in transferring kinetic energy to the small solvent scales which turns out to be concomitant with the depletion of the usual non-linear energy cascade. However, we show that the non-linear interactions are still highly active, but they lead to no net downscale energy transfer because the forward and reversed energy cascades are nearly balanced. Finally, we show that the tendency for a steeper elasto-inertial power-law spectra is reversed for large polymer relaxation times and the spectra tend towards the usual k-5/3 functional form.

  1. Inflation and alternatives with blue tensor spectra

    SciTech Connect

    Wang, Yi; Xue, Wei E-mail: wei.xue@sissa.it

    2014-10-01

    We study the tilt of the primordial gravitational waves spectrum. A hint of blue tilt is shown from analyzing the BICEP2 and POLARBEAR data. Motivated by this, we explore the possibilities of blue tensor spectra from the very early universe cosmology models, including null energy condition violating inflation, inflation with general initial conditions, and string gas cosmology, etc. For the simplest G-inflation, blue tensor spectrum also implies blue scalar spectrum. In general, the inflation models with blue tensor spectra indicate large non-Gaussianities. On the other hand, string gas cosmology predicts blue tensor spectrum with highly Gaussian fluctuations. If further experiments do confirm the blue tensor spectrum, non-Gaussianity becomes a distinguishing test between inflation and alternatives.

  2. Creating semiconductor metafilms with designer absorption spectra

    NASA Astrophysics Data System (ADS)

    Kim, Soo Jin; Fan, Pengyu; Kang, Ju-Hyung; Brongersma, Mark L.

    2015-07-01

    The optical properties of semiconductors are typically considered intrinsic and fixed. Here we leverage the rapid developments in the field of optical metamaterials to create ultrathin semiconductor metafilms with designer absorption spectra. We show how such metafilms can be constructed by placing one or more types of high-index semiconductor antennas into a dense array with subwavelength spacings. It is argued that the large absorption cross-section of semiconductor antennas and their weak near-field coupling open a unique opportunity to create strongly absorbing metafilms whose spectral absorption properties directly reflect those of the individual antennas. Using experiments and simulations, we demonstrate that near-unity absorption at one or more target wavelengths of interest can be achieved in a sub-50-nm-thick metafilm using judiciously sized and spaced Ge nanobeams. The ability to create semiconductor metafilms with custom absorption spectra opens up new design strategies for planar optoelectronic devices and solar cells.

  3. High resolution derivative spectra in remote sensing

    NASA Technical Reports Server (NTRS)

    Demetriades-Shah, Tanvir H.; Steven, Michael D.; Clark, Jeremy A.

    1990-01-01

    The use of derivative spectra is an established technique in analytical chemistry for the elimination of background signals and for resolving overlapping spectral features. Application of this technique for tackling analogous problems such as interference from soil background reflectance in the remote sensing of vegetation or for resolving complex spectra of several target species within individual pixels in remote sensing is proposed. Methods for generating derivatives of high spectral resolution data are reviewed. Results of experiments to test the use of derivatives for monitoring chlorosis in vegetation show that derivative spectral indices are superior to conventional broad-band spectral indices such as the near-infrared/red reflectance ratio. Conventional broad-band indices are sensitive to both leaf cover as well as leaf color. New derivative spectral indices which were able to monitor chlorosis unambiguously were identified. Potential areas for the application of this technique in remote sensing are considered.

  4. Model atmospheres, predicted spectra, and colors

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Theoretical models of stellar atmospheres and the process of forming a spectrum are reviewed with particular reference to the spectra of B stars. In the case of classical models the stellar atmosphere is though to consist of plane parallel layers of gas in which radiative and hydrostatic equilibrium exists. No radiative energy is lost or gained in the model atmosphere, but the detailed shape of the spectrum is changed as a result of the interactions with the ionized gas. Predicted line spectra using statistical equilibrium local thermodynamic equilibrium (LTE), and non-LTE physics are compared and the determination of abundances is discussed. The limitations of classical modeling are examined. Models developed to demonstrate what motions in the upper atmosphere will do to the spectrum and to explore the effects of using geometries different from plane parallel layer are reviewed. In particular the problem of radiative transfer is addressed.

  5. Dynamical analysis of highly excited molecular spectra

    SciTech Connect

    Kellman, M.E.

    1993-12-01

    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  6. The Zeeman effect in stellar spectra

    NASA Astrophysics Data System (ADS)

    Romanyuk, I. I.

    A short biography of Pieter Zeeman is presented. The main formulae for the normal, anomalous, quadratic Zeeman effects and Paschen-Back effect are given. Instrumentation for Zeeman effect measurements in stellar spectra is described, the most important scientific achievements in magnetic stars investigations with the world's largest telescopes for 50 years are demonstrated. The devices for magnetic measurements made at SAO and the main results of stellar magnetic observations obtained with the 6 m telescope are described in detail.

  7. Dose spectra from energetic particles and neutrons

    NASA Astrophysics Data System (ADS)

    Schwadron, Nathan; Bancroft, Chris; Bloser, Peter; Legere, Jason; Ryan, James; Smith, Sonya; Spence, Harlan; Mazur, Joe; Zeitlin, Cary

    2013-10-01

    spectra from energetic particles and neutrons (DoSEN) are an early-stage space technology research project that combines two advanced complementary radiation detection concepts with fundamental advantages over traditional dosimetry. DoSEN measures not only the energy but also the charge distribution (including neutrons) of energetic particles that affect human (and robotic) health in a way not presently possible with current dosimeters. For heavy ions and protons, DoSEN provides a direct measurement of the lineal energy transfer (LET) spectra behind shielding material. For LET measurements, DoSEN contains stacks of thin-thick Si detectors similar in design to those used for the Cosmic Ray Telescope for the Effects of Radiation. With LET spectra, we can now directly break down the observed spectrum of radiation into its constituent heavy-ion components and through biologically based quality factors that provide not only doses and dose rates but also dose equivalents, associated rates, and even organ doses. DoSEN also measures neutrons from 10 to 100 MeV, which requires enough sensitive mass to fully absorb recoil particles that the neutrons produce. DoSEN develops the new concept of combining these independent measurements and using the coincidence of LET measurements and neutron detection to significantly reduce backgrounds in each measurement. The background suppression through the use of coincidence allows for significant reductions in size, mass, and power needed to provide measurements of dose, neutron dose, dose equivalents, LET spectra, and organ doses. Thus, we introduce the DoSEN concept: a promising low-mass instrument that detects the full spectrum of energetic particles, heavy ions, and neutrons to determine biological impact of radiation in space.

  8. Density fluctuation spectra in magnetohydrodynamic turbulence

    NASA Technical Reports Server (NTRS)

    Montgomery, D.; Brown, M. R.; Matthaeus, W. H.

    1987-01-01

    It is shown that within the framework of nearly incompressible magnetohydrodynamics, but not within that of neutral-fluid hydrodynamics, a k exp -5/3 inertial-range wave number density fluctuation spectrum is to be expected at the same times that k exp -5/3 kinetic energy and magnetic energy cascade spectra are present. A previous discrepancy between theory and observation in the local interstellar medium and solar wind is thereby resolved.

  9. Ultraviolet spectra of R Coronae Borealis stars

    NASA Technical Reports Server (NTRS)

    Holm, A. V.; Wu, C. C.

    1982-01-01

    An analysis of the International Ultraviolet Explorer spectra of the R CrB-type variables R CrB, RY Sgr, XX Cam, and MV Sgr suggests that: (1) it should be possible to construct useful models for the atmospheres of these hydrogen deficient, carbon rich stars if present standards of metallic line blanketing are used; and (2) the observed wavelength dependence of the circumstellar extinction is primarily due to circumstellar grains.

  10. Electronic spectra of astrophysically interesting cations

    SciTech Connect

    Maier, John P. Rice, Corey A. Mazzotti, Fabio J. Johnson, Anatoly

    2015-01-22

    The electronic spectra of polyacetylene cations were recorded at 20K in the laboratory in an ion trap instrument. These can then be compared with diffuse interstellar band (DIB) absorptions. Examination of recently published data shows that the attribution of a weak DIB at ∼506.9 nm to diacetylene cation is not justified. Study of the higher excited electronic states of polyacetylene cations shows that their widths can still be sufficiently narrow for consideration as DIB carriers.

  11. Reanalysis of Tyrannosaurus rex Mass Spectra.

    PubMed

    Bern, Marshall; Phinney, Brett S; Goldberg, David

    2009-09-01

    Asara et al. reported the detection of collagen peptides in a 68-million-year-old Tyrannosaurus rex bone by shotgun proteomics. This finding has been called into question as a possible statistical artifact. We reanalyze Asara et al.'s tandem mass spectra using a different search engine and different statistical tools. Our reanalysis shows a sample containing common laboratory contaminants, soil bacteria, and bird-like hemoglobin and collagen.

  12. Spikes in Brewer spectroradiometer UV spectra

    NASA Astrophysics Data System (ADS)

    Meinander, O.; Josefsson, W.; Kaurola, J.; Koskela, T.; Lakkala, K.

    2003-04-01

    The occurrence of spikes in Brewer UV spectra has been studied. By a spike we mean an anomalous number of counts recorded in one wavelength channel causing an abrupt upwards or downwards change in value that does not originate from the true radiation signal. We have recorded downward spikes in lamp scans measured in the darkroom, and spikes occur in sky measurements as well. We analyzed continuous measurement data over several years, with more than 90 000 spectra, from one single monochromator and two double monochromator Brewers. We found that especially the double monochromators may suffer from more than 200 spikes per ~5000 annual spectra. The spikes were not always randomly distributed over the wavelength range. The single monochromator was found to have a significant number of spikes at wavelengths below 300 nm, indicating possible bias in the stray light correction unless taken into consideration. The error caused by non-corrected spikes varied greatly from case to case. For example, the effect of one moderate-size spiked was found to be more than 5 % on a DNA action dose rate and close to 1 % on a DNA action daily dose. When high accuracy of the in situ UV measurements is required, our results suggest a need to remove spikes from the spectra. We used a simple statistical approach. Other slightly different approaches exist as well. Our data showed that ancillary radiation measurements may be necessary to interpret the data correctly. Under rapidly-changing cloudiness it can be difficult to distinguish between noise spikes and the variation in irradiance due to changes in the state of the sky.

  13. CUBISM: CUbe Builder for IRS Spectra Maps

    NASA Astrophysics Data System (ADS)

    Sings Irs Team; Smith, J. D.; Armus, Lee; Bot, Caroline; Buckalew, Brent; Dale, Danny; Helou, George; Jarrett, Tom; Roussel, Helene; Sheth, Kartik

    2011-11-01

    CUBISM, written in IDL, is a tool for constructing spectral cubes, maps, and arbitrary aperture 1D spectral extractions from sets of mapping mode spectra taken with Spitzer's IRS spectrograph. CUBISM is optimized for non-sparse maps of extended objects, e.g. the nearby galaxy sample of SINGS, but can be used with data from any spectral mapping AOR (primarily validated for maps which are designed as suggested by the mapping HOWTO).

  14. Nonlinear matter spectra in growing neutrino quintessence

    SciTech Connect

    Brouzakis, N.; Tetradis, N.; Pettorino, V.; Wetterich, C. E-mail: pettorin@sissa.it E-mail: c.wetterich@thphys.uni-heidelberg.de

    2011-03-01

    We investigate the nonlinear power spectra of density perturbations and acoustic oscillations in growing neutrino quintessence. In this scenario, the neutrino mass has a strong dependence on the quintessence field. The induced coupling stops the evolution of the field when the neutrinos become nonrelativistic, and triggers the transition to the accelerating phase of the cosmological expansion. For the calculation of the nonlinear spectra we employ the time renormalization group, which resums subsets of diagrams of arbitrarily high order in cosmological perturbation theory. At redshifts around five, the neutrino fluctuations are still linear and acoustic oscillations are present in the neutrino power spectrum, induced by the acoustic oscillations in the baryonic and dark-matter sectors. The neutrino perturbations become nonlinear at redshifts around three. The mode coupling generated by the nonlinearities erases the oscillations in the neutrino spectrum at some redshift above two. There is a potential danger that at later times the influence of the gravitational potentials induced by the neutrino inhomogeneities could erase the oscillations from the baryonic and dark-matter spectra, making the scenario incompatible with observations. For the scenario to be viable, the neutrino-induced gravitational potentials in the range of baryon acoustic oscillations should not grow to average values much larger than 10{sup −4}. The magnitude of the expected potentials is still not known reliably, as the process of structure formation is poorly understood in growing neutrino quintessence. The time renormalization group cannot describe the effects of nonlinear clustering. Alternative methods, such as hydrodynamic simulations, must be empoloyed for the calculation of the spectra at low redshifts.

  15. HET Spectra of Three Recent Extragalactic Novae

    NASA Astrophysics Data System (ADS)

    Shafter, A. W.; Coelho, E. A.; Misselt, K. A.; Bode, M. F.; Darnley, M. J.; Quimby, R.

    2006-10-01

    We report optical spectroscopic observations (4280Å - 7280Å) obtained with the HET of three extragalactic novae: Nova M31 2006 No. 9 (ATEL #887), Nova M32 2006 No. 1 (CBET #591), and Nova M33 2006 No. 1 (CBET #655). The spectra were obtained on 24 Sep 2006 UT, 30 Sep 2006 UT, and 02 Oct 2006 UT, corresponding to approximately 6, 65, and 4 days post discovery, for the three novae respectively.

  16. Understanding the baryon and meson spectra

    SciTech Connect

    Pennington, Michael R.

    2013-10-01

    A brief overview is given of what we know of the baryon and meson spectra, with a focus on what are the key internal degrees of freedom and how these relate to strong coupling QCD. The challenges, experimental, theoretical and phenomenological, for the future are outlined, with particular reference to a program at Jefferson Lab to extract hadronic states in which glue unambiguously contributes to their quantum numbers.

  17. Optical spectra in Fibonacci photonic nanostructures

    NASA Astrophysics Data System (ADS)

    Albuquerque, E. L.; de Medeiros, F. F.; da Silva, L. R.

    2007-03-01

    In this work, we have studied the transmission spectra of photonic band-gap Fibonacci quasiperiodic nanostructures composed of both positive (SiO2) and negative refractive index (n) materials, the so-called metamaterials. These left-handed materials has been receiving recently a lot of attention due to their novel properties, like the possibility of the construction of perfect lenses. Also, the mirror symmetry structure is very sensitive to the phase compensation effect, which is unique in the positive and negative refractive index stacked Fibonacci nanostructures. The transmission spectra of these Fibonacci nanostructures, for the case where both refractive index can be approximated as a constant, show a strike self-similarity behavior, and perfect transmission peaks are observed due to its internal coupling between localized modes and propagation modes, enabling the structure to be used as an ideal optical filter. For more realistic case, where the permittivity is modelled by a plasmonic dielectric function, there is no more a self-similar pattern, although keeping Bragg refraction gaps. In both cases, however, our transmission spectra unveil smooth structure due to the phase compensation effect, including the so-called zero-n gap case.

  18. IRAS Low Resolution Spectra of Asteroids

    NASA Technical Reports Server (NTRS)

    Cohen, Martin; Walker, Russell G.

    2002-01-01

    Optical/near-infrared studies of asteroids are based on reflected sunlight and surface albedo variations create broad spectral features, suggestive of families of materials. There is a significant literature on these features, but there is very little work in the thermal infrared that directly probes the materials emitting on the surfaces of asteroids. We have searched for and extracted 534 thermal spectra of 245 asteroids from the original Dutch (Groningen) archive of spectra observed by the IRAS Low Resolution Spectrometer (LRS). We find that, in general, the observed shapes of the spectral continua are inconsistent with that predicted by the standard thermal model used by IRAS. Thermal models such as proposed by Harris (1998) and Harris et al.(1998) for the near-earth asteroids with the "beaming parameter" in the range of 1.0 to 1.2 best represent the observed spectral shapes. This implies that the IRAS Minor Planet Survey (IMPS, Tedesco, 1992) and the Supplementary IMPS (SIMPS, Tedesco, et al., 2002) derived asteroid diameters are systematically underestimated, and the albedos are overestimated. We have tentatively identified several spectral features that appear to be diagnostic of at least families of materials. The variation of spectral features with taxonomic class hints that thermal infrared spectra can be a valuable tool for taxonomic classification of asteroids.

  19. Haloes Seen In UVIS Reflectance Spectra

    NASA Astrophysics Data System (ADS)

    Esposito, Larry W.; Bradley, E.; Colwell, J.; Sremcevic, M.

    2012-10-01

    UVIS SOI reflectance spectra show bright ‘haloes’ around the locations of some of the strongest resonances in Saturn’s A ring (Esposito etal 2005). UV spectra constrain the size and composition of the icy ring particles (Bradley etal 2010, 2012). We investigate the Janus 4:3, 5:3, 6:5 and Mimas 5:3 inner Lindblad resonances as well as at the Mimas 5:3 vertical resonance (bending wave location). Models of ring particle regolith evolution (Elliott and Esposito 2010) indicate the deeper regolith is made of older and purer ice. The strong resonances cause streamline crowding (Lewis and Stewart 2005) which damps the interparticle velocity, allowing temporary clumps to grow, which in turn increase the velocity, eroding the clumps and releasing smaller particles and regolith (see the predator-prey model of Esposito etal 2012). This cyclic behavior, driven by the resonant perturbation from the moon, can yield collision velocities greater than 1m/sec, sufficient to erode the aggregates (Blum 2006), exposing older, purer materials. Thus, the radial location of the strongest resonances can be where we find both large aggregates and disrupted fragments, in a balance maintained by the periodic moon forcing. If this stirring exposes older, and purer ice, the velocity threshold for eroding the aggregates can explain why only the strongest Lindblad resonances show haloes. UVIS spectra can determine the relative contributions of particle size and purity at these locations, for comparison to estimates from the regolith evolution models.

  20. MAGNETIC ENERGY SPECTRA IN SOLAR ACTIVE REGIONS

    SciTech Connect

    Abramenko, Valentyna; Yurchyshyn, Vasyl

    2010-09-01

    Line-of-sight magnetograms for 217 active regions (ARs) with different flare rates observed at the solar disk center from 1997 January until 2006 December are utilized to study the turbulence regime and its relationship to flare productivity. Data from the SOHO/MDI instrument recorded in the high-resolution mode and data from the BBSO magnetograph were used. The turbulence regime was probed via magnetic energy spectra and magnetic dissipation spectra. We found steeper energy spectra for ARs with higher flare productivity. We also report that both the power index, {alpha}, of the energy spectrum, E(k) {approx} k{sup -}{alpha}, and the total spectral energy, W = {integral}E(k)dk, are comparably correlated with the flare index, A, of an AR. The correlations are found to be stronger than those found between the flare index and the total unsigned flux. The flare index for an AR can be estimated based on measurements of {alpha} and W as A = 10{sup b}({alpha}W){sup c}, with b = -7.92 {+-} 0.58 and c = 1.85 {+-} 0.13. We found that the regime of the fully developed turbulence occurs in decaying ARs and in emerging ARs (at the very early stage of emergence). Well-developed ARs display underdeveloped turbulence with strong magnetic dissipation at all scales.

  1. Tunneling spectra of graphene on copper unraveled.

    PubMed

    Zhang, Xin; Stradi, Daniele; Liu, Lei; Luo, Hong; Brandbyge, Mads; Gu, Gong

    2016-06-22

    Scanning tunneling spectroscopy is often employed to study two-dimensional (2D) materials on conductive growth substrates, in order to gain information on the electronic structures of the 2D material-substrate systems, which can lead to insight into 2D material-substrate interactions, growth mechanisms, etc. The interpretation of the spectra can be complicated, however. Specifically for graphene grown on copper, there have been conflicting reports of tunneling spectra. A clear understanding of the mechanisms behind the variability is desired. In this work, we have revealed that the root cause of the variability in tunneling spectra is the variation in graphene-substrate coupling under various experimental conditions, providing a salutary perspective on the important role of 2D material-substrate interactions. The conclusions are drawn from measured data and theoretical calculations for monolayer, AB-stacked bilayer, and twisted bilayer graphene coexisting on the same substrates in areas with and without intercalated oxygen, demonstrating a high degree of consistency. The Van Hove singularities of the twisted graphene unambiguously indicate the Dirac energy between them, lending strong evidence to our assignment of the spectral features. In addition, we have discovered an O-Cu superstructure that has never been observed before.

  2. VARIABILITY IN OPTICAL SPECTRA OF {epsilon} ORIONIS

    SciTech Connect

    Thompson, Gregory B.; Morrison, Nancy D. E-mail: nmorris@utnet.utoledo.edu

    2013-04-15

    We present the results of a time series analysis of 130 echelle spectra of {epsilon} Ori (B0 Ia), acquired over seven observing seasons between 1998 and 2006 at Ritter Observatory. The equivalent widths of H{alpha} (net) and He I {lambda}5876 were measured and radial velocities were obtained from the central absorption of He I {lambda}5876. Temporal variance spectra (TVS) revealed significant wind variability in both H{alpha} and He I {lambda}5876. The He I TVS have a double-peaked profile consistent with radial velocity oscillations. A periodicity search was carried out on the equivalent width and radial velocity data, as well as on wavelength-binned spectra. This analysis has revealed several periods in the variability with timescales of two to seven days. Many of these periods exhibit sinusoidal modulation in the associated phase diagrams. Several of these periods were present in both H{alpha} and He I, indicating a possible connection between the wind and the photosphere. Due to the harmonic nature of these periods, stellar pulsations may be the origin of some of the observed variability. Periods on the order of the rotational period were also detected in the He I line in the 1998-1999 season and in both lines during the 2004-2005 season. These periods may indicate rotational modulation due to structure in the wind.

  3. Analysis of positron lifetime spectra in polymers

    NASA Technical Reports Server (NTRS)

    Singh, Jag J.; Mall, Gerald H.; Sprinkle, Danny R.

    1988-01-01

    A new procedure for analyzing multicomponent positron lifetime spectra in polymers was developed. It requires initial estimates of the lifetimes and the intensities of various components, which are readily obtainable by a standard spectrum stripping process. These initial estimates, after convolution with the timing system resolution function, are then used as the inputs for a nonlinear least squares analysis to compute the estimates that conform to a global error minimization criterion. The convolution integral uses the full experimental resolution function, in contrast to the previous studies where analytical approximations of it were utilized. These concepts were incorporated into a generalized Computer Program for Analyzing Positron Lifetime Spectra (PAPLS) in polymers. Its validity was tested using several artificially generated data sets. These data sets were also analyzed using the widely used POSITRONFIT program. In almost all cases, the PAPLS program gives closer fit to the input values. The new procedure was applied to the analysis of several lifetime spectra measured in metal ion containing Epon-828 samples. The results are described.

  4. Low Temperature Reflectance Spectra of Titan Tholins

    NASA Technical Reports Server (NTRS)

    Roush, T. L.; Dalton, J. B.; Fonda, Mark (Technical Monitor)

    2001-01-01

    Compositional interpretation of remotely obtained reflectance spectra of outer solar system surfaces is achieved by a variety of methods. These include matching spectral curves, matching spectral features, quantitative spectral interpretation, and theoretical modeling of spectra. All of these approaches rely upon laboratory measurements of one kind or another. The bulk of these laboratory measurements are obtained with the sample of interest at ambient temperatures and pressures. However, surface temperatures of planets, satellites, and asteroids in the outer solar system are significantly cooler than ambient laboratory conditions on Earth. The infrared spectra of many materials change as a function of temperature. As has been recently demonstrated it is important to assess what effects colder temperatures have on spectral properties and hence, compositional interpretations. Titan tholin is a solid residue created by energetic processing of H-, C-, and N-bearing gases. Such residues can also be created by energetic processing if the gases are condensed into ices. Titan tholin has been suggested as a coloring agent for several surfaces in the outer solar system. Here we report laboratory measurements of Titan tholin at a temperature of 100 K and compare these to measurements of the same sample near room temperature. At low temperature the absorption features beyond 1 micrometer narrow slightly. At wavelengths greater than approx. 0.8 micrometer the overall reflectance of the sample decreases slightly making the sample less red at low temperatures. We will discuss the implications of the laboratory measurements for interpretation of cold outer solar system surfaces.

  5. Dose and dose averaged LET comparison of {sup 1}H, {sup 4}He, {sup 6}Li, {sup 8}Be, {sup 10}B, {sup 12}C, {sup 14}N, and {sup 16}O ion beams forming a spread-out Bragg peak

    SciTech Connect

    Kantemiris, I.; Karaiskos, P.; Papagiannis, P.; Angelopoulos, A.

    2011-12-15

    Purpose: Modern clinical accelerators are capable of producing ion beams from protons up to neon. This work compares the depth dose distribution and corresponding dose averaged linear energy transfer (LET) distribution, which is related to the biological effectiveness, for different ion beams ({sup 1}H, {sup 4}He, {sup 6}Li, {sup 8}Be, {sup 10}B, {sup 12}C, {sup 14}N, and {sup 16}O) using multi-energetic spectra in order to configure spread-out Bragg peaks (SOBP). Methods: Monte Carlo simulations were performed in order to configure a 5 cm SOBP at 8 cm depth in water for all the different ion beams. Physical dose and dose averaged LET distributions as a function of depth were then calculated and compared. The superposition of dose distribution of all ions is also presented for a two opposing fields configuration. Additional simulations were performed for {sup 12}C beams to investigate the dependence of dose and dose averaged LET distributions on target depth and size, as well as beam configuration. These included simulations for a 3 cm SOBP at 7, 10, and 13 cm depth in water, a 6 cm SOBP at 7 depth in water, and two opposing fields of 6 cm SOBP. Results: Alpha particles and protons present superior physical depth dose distributions relative to the rest of the beams studied. Dose averaged LET distributions results suggest higher biological effectiveness in the target volume for carbon, nitrogen and oxygen ions. This is coupled, however, with relatively high LET values--especially for the last two ion species--outside the SOBP where healthy tissue would be located. Dose averaged LET distributions for {sup 8}Be and {sup 10}B beams show that they could be attractive alternatives to {sup 12}C for the treatment of small, not deeply seated lesions. The potential therapeutic effect of different ion beams studied in this work depends on target volume and position, as well as the number of beams used. Conclusions: The optimization of beam modality for specific tumor cites

  6. Mixing model analysis of telescopic lunar spectra

    NASA Astrophysics Data System (ADS)

    Lucey, Paul G.; Clark, Beth C.; Hawke, B. Ray

    1993-03-01

    We have analyzed very high quality reflectance spectra of the lunar surface from the University of Hawaii lunar spectral data collection using a spectral mixing model. The spectra analyzed are those of 45 mare sites and 75 highland sites. The spectra were selected on the basis of very high signal to noise ratios based on error bars and point to point scatter, and on quality of removal of telluric water bands. The spectral mixing model used 7 components, not all of which were used in each fit. Four of the components were mineral spectra of the orthopyroxene, a clinopyroxene, an olivine and an anorthite, measured at the Brown University's RELAB. All of the minerals were 45-90 micron splits. Lunar soil contains other components which have the effect of reddening and darkening the soil as well as reducing spectral contrast. In addition, lunar soil contains spectral neutral bright material (likely very fine grained feldspar) which serves to reduce spectral contrast and brighten soils. Early attempts to fit many of the spectra pointed out the need for a component which has a very broad smooth absorption feature centered near 1.1 microns. Glass is a good candidate for this component. For the bright component we used a flat reflectance of 70 percent to represent fine grained feldspar. For the 'glass' component we used a telescopic spectrum of a pyroclastic glass present on the Aristarchus plateau which is characterized by a strong smooth band centered at 1.07 microns. In addition to exhibiting the glass band this spectrum is very red and has a low albedo. On the assumption that the dark component and the red component are agglutinates, which is reasonable but not necessarily true, we sought a dark red component. To derive its properties we modelled the spectrum of an Apollo 16 soil (16xxx) and assumed the dark red component to comprise 60 percent of the soil, appropriate to agglutinate abundance in mature soil. We adjusted the albedo and slope of a straight line

  7. Mixing model analysis of telescopic lunar spectra

    NASA Technical Reports Server (NTRS)

    Lucey, Paul G.; Clark, Beth C.; Hawke, B. Ray

    1993-01-01

    We have analyzed very high quality reflectance spectra of the lunar surface from the University of Hawaii lunar spectral data collection using a spectral mixing model. The spectra analyzed are those of 45 mare sites and 75 highland sites. The spectra were selected on the basis of very high signal to noise ratios based on error bars and point to point scatter, and on quality of removal of telluric water bands. The spectral mixing model used 7 components, not all of which were used in each fit. Four of the components were mineral spectra of the orthopyroxene, a clinopyroxene, an olivine and an anorthite, measured at the Brown University's RELAB. All of the minerals were 45-90 micron splits. Lunar soil contains other components which have the effect of reddening and darkening the soil as well as reducing spectral contrast. In addition, lunar soil contains spectral neutral bright material (likely very fine grained feldspar) which serves to reduce spectral contrast and brighten soils. Early attempts to fit many of the spectra pointed out the need for a component which has a very broad smooth absorption feature centered near 1.1 microns. Glass is a good candidate for this component. For the bright component we used a flat reflectance of 70 percent to represent fine grained feldspar. For the 'glass' component we used a telescopic spectrum of a pyroclastic glass present on the Aristarchus plateau which is characterized by a strong smooth band centered at 1.07 microns. In addition to exhibiting the glass band this spectrum is very red and has a low albedo. On the assumption that the dark component and the red component are agglutinates, which is reasonable but not necessarily true, we sought a dark red component. To derive its properties we modelled the spectrum of an Apollo 16 soil (16xxx) and assumed the dark red component to comprise 60 percent of the soil, appropriate to agglutinate abundance in mature soil. We adjusted the albedo and slope of a straight line

  8. Optimal construction of theoretical spectra for MS/MS spectra identification

    SciTech Connect

    Fridman, Tamah; Protopopescu, Vladimir A; Hurst, Gregory {Greg} B; Borziak, Andrei; Gorin, Andrey A

    2005-01-01

    We derive the optimal number of peaks (defined as the minimum number that provides the required efficiency of spectra identification) in the theoretical spectra as a function of: (i) the experimental accuracy, , of the measured ratio m/z; (ii) experimental spectrum density; (iii) size of the database; (iv) number of peaks in the theoretical spectra; and (v) types of ions that the peaks represent. We show that if theoretical spectra are constructed including b and y ions alone, then for =0.5, which is typical for high throughput data, peptide chains of 8 amino acids or longer can be identified based on the positions of peaks alone, at a rate of false identification below 1%. To discriminate between shorter peptides, additional (e.g., intensity-inferred) information is necessary. We derive the dependence of the probability of false identification on the number of peaks in the theoretical spectra and on the types of ions that the peaks represent. Our results suggest that the class of mass spectrum identification problems for which more elaborate development of fragmentation rules (such as intensity model, etc.) is required, can be reduced to the problems that involve homologous peptides.

  9. Atomic and Molecular Aspects of Astronomical Spectra

    NASA Astrophysics Data System (ADS)

    Sochi, Taha

    2012-11-01

    In the first section we present the atomic part where a C2+ atomic target was prepared and used to generate theoretical data to investigate recombination lines arising from electron-ion collisions in thin plasma. R-matrix method was used to describe the C2+ plus electron system. Theoretical data concerning bound and autoionizing states were generated in the intermediate-coupling approximation. The data were used to generate dielectronic recombination data for C+ which include transition lines, oscillator strengths, radiative transition probabilities, emissivities and dielectronic recombination coefficients. The data were cast in a line list containing 6187 optically-allowed transitions which include many C II lines observed in astronomical spectra. This line list was used to analyze the spectra from a number of astronomical objects, mainly planetary nebulae, and identify their electron temperature. The electron temperature investigation was also extended to include free electron energy analysis to investigate the long-standing problem of discrepancy between the results of recombination and forbidden lines analysis and its possible connection to the electron distribution. In the second section we present the results of our molecular investigation; the generation of a comprehensive, calculated line list of frequencies and transition probabilities for H2D+. The line list contains over 22 million rotational-vibrational transitions occurring between more than 33 thousand energy levels and covers frequencies up to 18500 cm-1. About 15% of these levels are fully assigned with approximate rotational and vibrational quantum numbers. A temperature-dependent partition function and cooling function are presented. Temperature-dependent synthetic spectra for the temperatures T=100, 500, 1000 and 2000 K in the frequency range 0-10000 cm-1 were also generated and presented graphically.

  10. Near-Infrared Spectra of Supernovae

    NASA Astrophysics Data System (ADS)

    Gerardy, C. L.; Fesen, R. A.; Hoflich, P.; Nomoto, K.; Garnavich, P. M.; Jha, S.; Challis, P. M.; Kirshner, R. P.; Wheeler, J. C.; Sakai, S.

    2001-12-01

    We present results from a survey of the near-infrared properties of all types of supernovae. Near-infrared spectra of the subluminous Type Ia SN 1999by taken 5 days before to two weeks after maximum light have been analysed using self-consistent SN Ia explosion models. The data generally agree with 1D delayed-detonation models, indicate a near Chandrasekhar-mass WD progenitor, and show low yield of iron-peak elements confined to the innermost layers of the ejecta. This puts strong constraints on the mixing of large iron blobs into the outer layers due to Rayleigh-Taylor instabilities during the deflagration phase. NIR spectra of Type IIP SNe are relatively line-free during the plateau phase, showing largely hydrogen emission with only a handful of other lines, mostly in the 1-1.2 micron region. After the plateau phase, Type IIP spectra become much richer, showing many overlapping emission features throughout the near-infrared. It appears that CO emission is a common feature of core-collapse supernovae, as several detections of first overtone CO emission near 2.3 microns have been made, including SN 1998S (IIn), SN 1999em, SN 1999gi (IIP) and SN 2000ew (Ic). Finally, we find that Type IIn supernovae often exhibit extraordinary infrared excesses at late times. This is probably thermal emission from hot dust, most likely in the dense circumstellar gas surrounding the progenitor star. The infrared luminosity can reach 1041-42 erg s-1, and can last for several years. A possible scenario is that the dust emission is an ``infrared echo'' powered not by the flash of the SN explosion, but rather by UV/X-ray emission from the strong shock interaction with the dense circumstellar material.

  11. High precision radial velocities with GIANO spectra

    NASA Astrophysics Data System (ADS)

    Carleo, I.; Sanna, N.; Gratton, R.; Benatti, S.; Bonavita, M.; Oliva, E.; Origlia, L.; Desidera, S.; Claudi, R.; Sissa, E.

    2016-06-01

    Radial velocities (RV) measured from near-infrared (NIR) spectra are a potentially excellent tool to search for extrasolar planets around cool or active stars. High resolution infrared (IR) spectrographs now available are reaching the high precision of visible instruments, with a constant improvement over time. GIANO is an infrared echelle spectrograph at the Telescopio Nazionale Galileo (TNG) and it is a powerful tool to provide high resolution spectra for accurate RV measurements of exoplanets and for chemical and dynamical studies of stellar or extragalactic objects. No other high spectral resolution IR instrument has GIANO's capability to cover the entire NIR wavelength range (0.95-2.45 μm) in a single exposure. In this paper we describe the ensemble of procedures that we have developed to measure high precision RVs on GIANO spectra acquired during the Science Verification (SV) run, using the telluric lines as wavelength reference. We used the Cross Correlation Function (CCF) method to determine the velocity for both the star and the telluric lines. For this purpose, we constructed two suitable digital masks that include about 2000 stellar lines, and a similar number of telluric lines. The method is applied to various targets with different spectral type, from K2V to M8 stars. We reached different precisions mainly depending on the H-magnitudes: for H ˜ 5 we obtain an rms scatter of ˜ 10 m s-1, while for H ˜ 9 the standard deviation increases to ˜ 50 ÷ 80 m s-1. The corresponding theoretical error expectations are ˜ 4 m s-1 and 30 m s-1, respectively. Finally we provide the RVs measured with our procedure for the targets observed during GIANO Science Verification.

  12. Effect of Temperature on Jet Velocity Spectra

    NASA Technical Reports Server (NTRS)

    Bridges, James E.; Wernet, Mark P.

    2007-01-01

    Statistical jet noise prediction codes that accurately predict spectral directivity for both cold and hot jets are highly sought both in industry and academia. Their formulation, whether based upon manipulations of the Navier-Stokes equations or upon heuristic arguments, require substantial experimental observation of jet turbulence statistics. Unfortunately, the statistics of most interest involve the space-time correlation of flow quantities, especially velocity. Until the last 10 years, all turbulence statistics were made with single-point probes, such as hotwires or laser Doppler anemometry. Particle image velocimetry (PIV) brought many new insights with its ability to measure velocity fields over large regions of jets simultaneously; however, it could not measure velocity at rates higher than a few fields per second, making it unsuitable for obtaining temporal spectra and correlations. The development of time-resolved PIV, herein called TR-PIV, has removed this limitation, enabling measurement of velocity fields at high resolution in both space and time. In this paper, ground-breaking results from the application of TR-PIV to single-flow hot jets are used to explore the impact of heat on turbulent statistics of interest to jet noise models. First, a brief summary of validation studies is reported, undertaken to show that the new technique produces the same trusted results as hotwire at cold, low-speed jets. Second, velocity spectra from cold and hot jets are compared to see the effect of heat on the spectra. It is seen that heated jets possess 10 percent more turbulence intensity compared to the unheated jets with the same velocity. The spectral shapes, when normalized using Strouhal scaling, are insensitive to temperature if the stream-wise location is normalized relative to the potential core length. Similarly, second order velocity correlations, of interest in modeling of jet noise sources, are also insensitive to temperature as well.

  13. Applying Zeeman Doppler imaging to solar spectra

    NASA Astrophysics Data System (ADS)

    Hussain, G. A. J.; Saar, S. H.; Collier Cameron, A.

    2004-03-01

    A new generation of spectro-polarimeters with high throughput (e.g. CFHT/ESPADONS and LBT/PEPSI) is becoming available. This opportunity can be exploited using Zeeman Doppler imaging (ZDI), a technique that inverts time-series of Stokes V spectra to map stellar surface magnetic fields (Semel 1989). ZDI is assisted by ``Least squares deconvolution'' (LSD), which sums up the signal from 1000's of photospheric lines to produce a mean deconvolved profile with higher S:N (Donati & Collier Cameron 1997).

  14. Techniques for classifying acoustic resonant spectra

    SciTech Connect

    Roberts, R.S.; Lewis, P.S.; Chen, J.T.; Vela, O.A.

    1995-12-31

    A second-generation nondestructive evaluation (NDE) system that discriminates between different types of chemical munitions is under development. The NDE system extracts features from the acoustic spectra of known munitions, builds templates from these features, and performs classification by comparing features extracted from an unknown munition to a template library. Improvements over first-generation feature extraction template construction and classification algorithms are reported. Results are presented on the performance of the system and a large data set collected from surrogate-filled munitions.

  15. Glow Sticks: Spectra and Color Mixing

    NASA Astrophysics Data System (ADS)

    Birriel, Jennifer; Birriel, Ignacio

    2014-10-01

    Glow sticks are a popular Halloween staple familiar to most of our students. The production of light via a chemical reaction is called "chemiluminescence," and glow sticks are often used as demonstrations and experiments in the chemistry classroom to study reaction rates as a function of temperature.1-3 A black light can be used to illuminate glow sticks that have not been cracked or those that are "dead" in order to demonstrate fluorescence in liquid chemicals.4 In this article, we present the use of glow sticks as an inexpensive demonstration of spectra and color addition.

  16. Quantitative Analyses of Planetary Reflectance Spectra

    NASA Technical Reports Server (NTRS)

    Johnson, P. E.

    1985-01-01

    The development of a set of quantitative models to analyze planetary reflectance spectra as a function of microscopic and macroscopic mineral mixtures, particle size, and illumination geometry is considered. The approach has been to simplify more sophisticated algorithms to include the smallest number of parameters possible, consistent with being able to use them to produce useful results. This means that they should be able to model the data to within the accuracy obtainable by laboratory, telescopic, and space instrumentation (roughly 1%). The algorithms are ideally given in terms of parameters that are directly measureable (such as spectral reflectance or particle size).

  17. Video spectra of Leonids and other meteors

    NASA Astrophysics Data System (ADS)

    Borovička, Jiří

    2001-11-01

    Video spectra of 33 meteors of medium brightness (+1 to -1 mag) were compared. The intensity of the main meteoric emissions of Mg, Na, Fe, and atmospheric emissions of N2, O, N were studied. The Na/Mg ratio is different in different meteors, showing variations in Na abundance. Moreover, much earlier ablation of Na during the atmospheric entry than of other elements observed in some Leonids and one Orionid, Quadrantid and Leo Minorid evidences fragile structure of those meteoroids. One sporadic meteor was completely deficient in sodium. The strength of atmospheric emission increases with increasing meteor velocity. Taurids are notable by the near-absence of O and N emissions.

  18. Beamstrahlung spectra in next generation linear colliders

    SciTech Connect

    Barklow, T.; Chen, P. ); Kozanecki, W. )

    1992-04-01

    For the next generation of linear colliders, the energy loss due to beamstrahlung during the collision of the e{sup +}e{sup {minus}} beams is expected to substantially influence the effective center-of-mass energy distribution of the colliding particles. In this paper, we first derive analytical formulae for the electron and photon energy spectra under multiple beamstrahlung processes, and for the e{sup +}e{sup {minus}} and {gamma}{gamma} differential luminosities. We then apply our formulation to various classes of 500 GeV e{sup +}e{sup {minus}} linear collider designs currently under study.

  19. Far-infrared spectra of acetanilide revisited

    NASA Astrophysics Data System (ADS)

    Spire, A.; Barthes, M.; Kellouai, H.; De Nunzio, G.

    2000-03-01

    A new investigation of the temperature dependence of the far-infrared spectra of acetanilide and some isotopomers is presented. Four absorption bands are considered at 31, 42, 64, and 80 cm-1, and no significant change of their integrated intensity is observed when reducing the temperature. The temperature induced frequency shift values and other properties of these bands are consistent with an assignment as anharmonic lattice phonons. These results rule out the assignment of the 64, 80, and 106 cm-1 bands as normal modes of the polaronic excitation, as previously suggested.

  20. Solar Doppler shifts - Sources of continuous spectra

    NASA Technical Reports Server (NTRS)

    Duvall, T. L., Jr.; Harvey, J. W.

    1986-01-01

    Oscillation observations can be used to study nonoscillatory solar phenomena that exhibit Doppler shifts. The paper discusses several effects of these phenomena and their associated temporal and spatial power spectra: (1) they limit the signal-to-noise ratio and sometimes detectability of oscillation modes; (2) there is the potential for better understanding and/or detection of solar phenomena; (3) large-scale convection may spatially modulate oscillation modes, leading to a continuous background spectrum; and (4) in regions of the spectrum where the resolution to separate modes is lacking one can determine upper limits for the integrated effects of modes.

  1. GENERAL RELATIVISTIC EFFECTS ON NONLINEAR POWER SPECTRA

    SciTech Connect

    Jeong, Donghui; Gong, Jinn-Ouk; Noh, Hyerim; Hwang, Jai-chan E-mail: jgong@lorentz.leidenuniv.nl E-mail: jchan@knu.ac.kr

    2011-01-20

    The nonlinear nature of Einstein's equation introduces genuine relativistic higher order corrections to the usual Newtonian fluid equations describing the evolution of cosmological perturbations. We study the effect of such novel nonlinearities on the next-to-leading order matter and velocity power spectra for the case of a pressureless, irrotational fluid in a flat Friedmann background. We find that pure general relativistic corrections are negligibly small over all scales. Our result guarantees that, in the current paradigm of standard cosmology, one can safely use Newtonian cosmology even in nonlinear regimes.

  2. SPECTRA AND LIGHT CURVES OF FAILED SUPERNOVAE

    SciTech Connect

    Fryer, Chris L.; Dahl, Jon A.; Fontes, Christopher J. E-mail: dahl@lanl.go

    2009-12-10

    Astronomers have proposed a number of mechanisms to produce supernova explosions. Although many of these mechanisms are now not considered primary engines behind supernovae (SNe), they do produce transients that will be observed by upcoming ground-based surveys and NASA satellites. Here, we present the first radiation-hydrodynamics calculations of the spectra and light curves from three of these 'failed' SNe: SNe with considerable fallback, accretion-induced collapse of white dwarfs, and energetic helium flashes (also known as type Ia SNe).

  3. Theoretical photoabsorption spectra of Ar n+ clusters

    NASA Astrophysics Data System (ADS)

    Doltsinis, Nikos L.; Knowles, Peter J.

    2000-08-01

    The photoabsorption spectra of selected Ar n+ clusters ( n=7, 8, 17, 19, 23) have been investigated theoretically using an extended Diatomics-in-Molecules approach including induced dipole - induced dipole and spin-orbit coupling interaction effects. Our calculations at 0 K confirm the experimentally observed spectral red-shift of the visible photoabsorption peak in the region 15< n<20 [Levinger et al., J. Chem. Phys. 89 (1988) 5654]. Furthermore, we have been able to reproduce the additional red-shift measured for 7⩽ n⩽9 [Haberland et al., Phys. Rev. Lett. 67 (1991) 3290] by carrying out finite temperature Monte Carlo simulations.

  4. SIMULATION OF PARTICLE SPECTRA AT RHIC.

    SciTech Connect

    KAHANA,D.E.; KAHANA,S.H.

    2001-09-04

    A purely hadronic simulation is performed of the recently reported data from PHOBOS at energies of {radical}s = 56, 130 GeV using the relativistic heavy ion cascade LUCIFER which had previously given a good description of the NA49 inclusive spectra at {radical}s = 17.2 GeV/A. The results compare well with these early measurements at RHIC and indeed successfully predict the increase in multiplicity now seen by PHOBOS and the other RHIC detectors at the nominal maximum energy of {radical}s = 200 GeV/A, suggesting that evidence for quark-gluon matter remains elusive.

  5. Hilbert transform: Applications to atomic spectra

    NASA Astrophysics Data System (ADS)

    Whittaker, Kate A.; Keaveney, James; Hughes, Ifan G.; Adams, Charles S.

    2015-03-01

    In many areas of physics, the Kramers-Kronig relations are used to extract information about the real part of the optical response of a medium from its imaginary counterpart. In this paper we discuss an alternative but mathematically equivalent approach based on the Hilbert transform. We apply the Hilbert transform to transmission spectra to find the group and refractive indices of a Cs vapor and thereby demonstrate how the Hilbert transform allows indirect measurement of the refractive index, group index, and group delay while avoiding the use of complicated experimental setups.

  6. Covariance analysis of gamma ray spectra

    SciTech Connect

    Trainham, R.; Tinsley, J.

    2013-01-15

    The covariance method exploits fluctuations in signals to recover information encoded in correlations which are usually lost when signal averaging occurs. In nuclear spectroscopy it can be regarded as a generalization of the coincidence technique. The method can be used to extract signal from uncorrelated noise, to separate overlapping spectral peaks, to identify escape peaks, to reconstruct spectra from Compton continua, and to generate secondary spectral fingerprints. We discuss a few statistical considerations of the covariance method and present experimental examples of its use in gamma spectroscopy.

  7. Covariance Analysis of Gamma Ray Spectra

    SciTech Connect

    Trainham, R.; Tinsley, J.

    2013-01-01

    The covariance method exploits fluctuations in signals to recover information encoded in correlations which are usually lost when signal averaging occurs. In nuclear spectroscopy it can be regarded as a generalization of the coincidence technique. The method can be used to extract signal from uncorrelated noise, to separate overlapping spectral peaks, to identify escape peaks, to reconstruct spectra from Compton continua, and to generate secondary spectral fingerprints. We discuss a few statistical considerations of the covariance method and present experimental examples of its use in gamma spectroscopy.

  8. Uncertainty Quantification on Prompt Fission Neutrons Spectra

    SciTech Connect

    Talou, P. Madland, D.G.; Kawano, T.

    2008-12-15

    Uncertainties in the evaluated prompt fission neutrons spectra present in ENDF/B-VII.0 are assessed in the framework of the Los Alamos model. The methodology used to quantify the uncertainties on an evaluated spectrum is introduced. We also briefly review the Los Alamos model and single out the parameters that have the largest influence on the calculated results. Using a Kalman filter, experimental data and uncertainties are introduced to constrain model parameters, and construct an evaluated covariance matrix for the prompt neutrons spectrum. Preliminary results are shown in the case of neutron-induced fission of {sup 235}U from thermal up to 15 MeV incident energies.

  9. Ultraviolet Spectra of Normal Spiral Galaxies

    NASA Technical Reports Server (NTRS)

    Kinney, Anne

    1997-01-01

    The data related to this grant on the Ultraviolet Spectra of Normal Spiral Galaxies have been entirely reduced and analyzed. It is incorporated into templates of Spiral galaxies used in the calculation of K corrections towards the understanding of high redshift galaxies. The main paper was published in the Astrophysical Journal, August 1996, Volume 467, page 38. The data was also used in another publication, The Spectral Energy Distribution of Normal Starburst and Active Galaxies, June 1997, preprint series No. 1158. Copies of both have been attached.

  10. Magnetization measurement on the S=1 quasi-one-dimensional Heisenberg antiferromagnet Ni(C{sub 5}H{sub 14}N{sub 2}){sub 2}N{sub 3}(PF{sub 6})

    SciTech Connect

    Honda, Z.; Katsumata, K.

    2001-06-01

    We have performed magnetization (M) measurements on the S=1 quasi-one-dimensional Heisenberg antiferromagnet, Ni(C{sub 5}H{sub 14}N{sub 2}){sub 2}N{sub 3}(PF{sub 6}) (NDMAP) with a vibrating sample magnetometer in a static field (H). In the temperature (T) dependence of the susceptibility (M/H), we observed that a transition from the gapped phase to a gapless one occurs at a finite H. On increasing H further, we observed a bending in the M/H{endash}T curve and the M/H takes almost constant value below the bending temperature (T{sub B}). Since T{sub B} corresponds to the critical temperature determined from heat capacity measurements, we identify the T independent susceptibility to the perpendicular susceptibility of an anisotropic antiferromagnet. We also observed a change in the M{endash}H curves of NDMAP at finite H. The value of H where M changes corresponds to the phase boundary between the field induced long-range ordered and paramagnetic phases determined from the heat capacity measurement. {copyright} 2001 American Institute of Physics.

  11. Haldane-gap excitations in the low-H{sub c} one-dimensional quantum antiferromagnet Ni(C{sub 5}D{sub 14}N{sub 2}){sub 2}N{sub 3}(PF{sub 6})

    SciTech Connect

    Zheludev, A.; Chen, Y.; Broholm, C. L.; Honda, Z.; Katsumata, K.

    2001-03-01

    Inelastic neutron scattering on deuterated single-crystal samples is used to study Haldane-gap excitations in the new S=1 one-dimensional quantum antiferromagnet Ni(C{sub 5}D{sub 14}N{sub 2}){sub 2}N{sub 3}(PF{sub 6}), that was recently recognized as an ideal model system for high-field studies. The Haldane gap energies {Delta}{sub x}=0.42(3) meV, {Delta}{sub y}=0.52(6) meV, and {Delta}{sub z}=1.9(1) meV, for excitations polarized along the a, b, and c crystallographic axes, respectively, are measured. The dispersion relation is studied for momentum transfers both along and perpendicular to the chains' direction. The in-chain exchange constant J=2.8 meV is found to be much larger than interchain coupling, J{sub y}=1.8(4)x10{sup -3} meV and J{sub x}=4(3)x10{sup -4} meV, along the b and a axes, respectively. The results are discussed in the context of future experiments in high magnetic fields.

  12. Classification of specialty seed meals from NIR reflectance spectra

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Near infrared reflectance spectroscopy was used to identify alternative seed meals proposed for food and feed formulations. Spectra were collected from cold pressed Camelina (Camelina sativa), Coriander (Coriandrum sativum), and Pennycress (Thlaspi arvense) meals. Additional spectra were collected ...

  13. Quantum synchrotron spectra from semirelativistic electrons in teragauss magnetic fields

    NASA Technical Reports Server (NTRS)

    Brainerd, J. J.

    1987-01-01

    Synchrotron spectra are calculated from quantum electrodynamic transition rates for thermal and power-law electron distributions. It is shown that quantum effects appear in thermal spectra when the photon energy is greater than the electron temperature, and in power-law spectra when the electron energy in units of the electron rest mass times the magnetic field strength in units of the critical field strength is of order unity. These spectra are compared with spectra calculated from the ultrarelativistic approximation for synchrotron emission. It is found that the approximation for the power-law spectra is good, and the approximation for thermal spectra produces the shape of the spectrum accurately but fails to give the correct normalization. Single photon pair creation masks the quantum effects for power-law distributions, so only modifications to thermal spectra are important for gamma-ray bursts.

  14. Identifying Minerals from Their Infra-red Spectra.

    ERIC Educational Resources Information Center

    Paterson, W. G.

    1986-01-01

    Describes a British secondary school's use of a spectrometer to identify minerals. Discusses the origins of mineral spectra, the preparation of the specimen, the actual spectroscopic scanning, and the interpretation of the spectra. (TW)

  15. Spectra of {gamma} rays feeding superdeformed bands

    SciTech Connect

    Lauritsen, T.; Khoo, T.L.; Henry, R.G.

    1995-08-01

    The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

  16. Nuclear size effects in vibrational spectra.

    PubMed

    Almoukhalalati, Adel; Shee, Avijit; Saue, Trond

    2016-06-01

    We present a theoretical study of nuclear volume in the rovibrational spectra of diatomic molecules which is an extension of a previous study restricted to rotational spectra [Chem. Phys., 2012, 401, 103]. We provide a new derivation for the electron-nucleus electrostatic interaction energy which is basically independent of the choice of model for the nuclear charge distribution. Starting from this expression we derive expressions for the electronic, rotational and vibrational field shift parameters in terms of effective electron density and its first and second derivatives with respect to internuclear distance. The effective density is often approximated by the contact density, but we demonstrate that this leads to errors on the order of 10% and is furthermore not necessary since the contact and effective densities can be obtained at the same computational cost. We calculate the field shift parameters at the 4-component relativistic coupled-cluster singles-and-doubles level and find that our results confirm the experimental findings of Tiemann and co-workers [Chem. Phys., 1982, 68(21), 1982, Ber. Bunsenges. Phys. Chem., 1982, 86, 821], whereas we find no theoretical justification for a scaling factor introduced in later work [Chem. Phys., 1985, 93, 349]. For lead sulfide we study the effective density as a function of internuclear distance and find a minimum some 0.2 Å inside the equilibrium bond distance. We also discuss Bigeleisen-Goeppert-Mayer theory of isotope fractionation in light of our results.

  17. An atlas of selected calibrated stellar spectra

    NASA Technical Reports Server (NTRS)

    Walker, Russell G.; Cohen, Martin

    1992-01-01

    Five hundred and fifty six stars in the IRAS PSC-2 that are suitable for stellar radiometric standards and are brighter than 1 Jy at 25 microns were identified. In addition, 123 stars that meet all of our criteria for calibration standards, but which lack a luminosity class were identified. An approach to absolute stellar calibration of broadband infrared filters based upon new models of Vega and Sirius due to Kurucz (1992) is presented. A general technique used to assemble continuous wide-band calibrated infrared spectra is described and an absolutely calibrated 1-35 micron spectrum of alpha(Tau) is constructed and the method using new and carefully designed observations is independently validated. The absolute calibration of the IRAS Low Resolution Spectrometer (LRS) database is investigated by comparing the observed spectrum of alpha(Tau) with that assumed in the original LRS calibration scheme. Neglect of the SiO fundamental band in alpha(Tau) has led to the presence of a specious 'emission' feature in all LRS spectra near 8.5 microns, and to an incorrect spectral slope between 8 and 12 microns. Finally, some of the properties of asteroids that effect their utility as calibration objects for the middle and far infrared region are examined. A technique to determine, from IRAS multiwaveband observations, the basic physical parameters needed by various asteroid thermal models that minimize the number of assumptions required is developed.

  18. Atomic Spectra Bibliography Databases at NIST

    NASA Astrophysics Data System (ADS)

    Kramida, Alexander

    2008-05-01

    NIST's Atomic Spectroscopy Data Center maintains three online Bibliographic Databases (BD) containing references to papers with atomic data for controlled fusion research, modeling and diagnostics of astrophysical and terrestrial plasmas, and fundamental properties of electronic spectra of atoms and ions. The NIST Atomic Energy Levels and Spectra BD [http://physics.nist.gov/elevbib] now includes about 11500 references, mostly for years 1967--2007. The NIST Atomic Transition Probability BD, v. 8.1 [http://physics.nist.gov/fvalbib] with its 7500 references mainly covers years 1964--2007. The NIST Spectral Line Broadening BD, v. 2.0 [http://physics.nist.gov/linebrbib] has 3670 references, mostly for 1978--2006. All three databases are maintained in a unified database management system that allows us to quickly update the contents. Updates become available to users on the next day. An automated Data Entry module makes it easy to enter and categorize the data. The system allows us to keep the contents of all BDs up to date. A number of enhancements made since last year greatly increased public usability of the databases. This work is supported in part by the Office of Fusion Energy Sciences of the U.S. Department of Energy and by the National Aeronautics and Space Administration.

  19. Nuclear size effects in vibrational spectra.

    PubMed

    Almoukhalalati, Adel; Shee, Avijit; Saue, Trond

    2016-06-01

    We present a theoretical study of nuclear volume in the rovibrational spectra of diatomic molecules which is an extension of a previous study restricted to rotational spectra [Chem. Phys., 2012, 401, 103]. We provide a new derivation for the electron-nucleus electrostatic interaction energy which is basically independent of the choice of model for the nuclear charge distribution. Starting from this expression we derive expressions for the electronic, rotational and vibrational field shift parameters in terms of effective electron density and its first and second derivatives with respect to internuclear distance. The effective density is often approximated by the contact density, but we demonstrate that this leads to errors on the order of 10% and is furthermore not necessary since the contact and effective densities can be obtained at the same computational cost. We calculate the field shift parameters at the 4-component relativistic coupled-cluster singles-and-doubles level and find that our results confirm the experimental findings of Tiemann and co-workers [Chem. Phys., 1982, 68(21), 1982, Ber. Bunsenges. Phys. Chem., 1982, 86, 821], whereas we find no theoretical justification for a scaling factor introduced in later work [Chem. Phys., 1985, 93, 349]. For lead sulfide we study the effective density as a function of internuclear distance and find a minimum some 0.2 Å inside the equilibrium bond distance. We also discuss Bigeleisen-Goeppert-Mayer theory of isotope fractionation in light of our results. PMID:27215395

  20. Odor Impression Prediction from Mass Spectra.

    PubMed

    Nozaki, Yuji; Nakamoto, Takamichi

    2016-01-01

    The sense of smell arises from the perception of odors from chemicals. However, the relationship between the impression of odor and the numerous physicochemical parameters has yet to be understood owing to its complexity. As such, there is no established general method for predicting the impression of odor of a chemical only from its physicochemical properties. In this study, we designed a novel predictive model based on an artificial neural network with a deep structure for predicting odor impression utilizing the mass spectra of chemicals, and we conducted a series of computational analyses to evaluate its performance. Feature vectors extracted from the original high-dimensional space using two autoencoders equipped with both input and output layers in the model are used to build a mapping function from the feature space of mass spectra to the feature space of sensory data. The results of predictions obtained by the proposed new method have notable accuracy (R≅0.76) in comparison with a conventional method (R≅0.61). PMID:27326765

  1. Determination of antineutrino spectra from nuclear reactors

    SciTech Connect

    Huber, Patrick

    2011-08-15

    In this paper we study the effect of well-known higher-order corrections to the allowed {beta}-decay spectrum on the determination of antineutrino spectra resulting from the decays of fission fragments. In particular, we try to estimate the associated theory errors and find that induced currents like weak magnetism may ultimately limit our ability to improve the current accuracy and under certain circumstance could even greatly increase the theoretical errors. We also perform a critical evaluation of the errors associated with our method to extract the antineutrino spectrum using synthetic {beta} spectra. It turns out that a fit using only virtual {beta} branches with a judicious choice of the effective nuclear charge provides results with a minimal bias. We apply this method to actual data for {sup 235}U, {sup 239}Pu, and {sup 241}Pu and confirm, within errors, recent results, which indicate a net 3% upward shift in energy-averaged antineutrino fluxes. However, we also find significant shape differences which can, in principle, be tested by high-statistics antineutrino data samples.

  2. Absorption Features in Soil Spectra Assessment.

    PubMed

    Vašát, Radim; Kodešová, Radka; Borůvka, Luboš; Jakšík, Ondřej; Klement, Aleš; Drábek, Ondřej

    2015-12-01

    From a wide range of techniques appropriate to relate spectra measurements with soil properties, partial least squares (PLS) regression and support vector machines (SVM) are most commonly used. This is due to their predictive power and the availability of software tools. Both represent exclusively statistically based approaches and, as such, benefit from multiple responses of soil material in the spectrum. However, physical-based approaches that focus only on a single spectral feature, such as simple linear regression using selected continuum-removed spectra values as a predictor variable, often provide accurate estimates. Furthermore, if this approach extends to multiple cases by taking into account three basic absorption feature parameters (area, width, and depth) of all occurring features as predictors and subjecting them to best subset selection, one can achieve even higher prediction accuracy compared with PLS regression. Here, we attempt to further extend this approach by adding two additional absorption feature parameters (left and right side area), as they can be important diagnostic markers, too. As a result, we achieved higher prediction accuracy compared with PLS regression and SVM for exchangeable soil pH, slightly higher or comparable for dithionite-citrate and ammonium oxalate extractable Fe and Mn forms, but slightly worse for oxidizable carbon content. Therefore, we suggest incorporating the multiple linear regression approach based on absorption feature parameters into existing working practices. PMID:26555184

  3. Blind Source Separation For Ion Mobility Spectra

    SciTech Connect

    Marco, S.; Pomareda, V.

    2009-05-23

    Miniaturization is a powerful trend for smart chemical instrumentation in a diversity of applications. It is know that miniaturization in IMS leads to a degradation of the system characteristics. For the present work, we are interested in signal processing solutions to mitigate limitations introduced by limited drift tube length that basically involve a loss of chemical selectivity. While blind source separation techniques (BSS) are popular in other domains, their application for smart chemical instrumentation is limited. However, in some conditions, basically linearity, BSS may fully recover the concentration time evolution and the pure spectra with few underlying hypothesis. This is extremely helpful in conditions where non-expected chemical interferents may appear, or unwanted perturbations may pollute the spectra. SIMPLISMA has been advocated by Harrington et al. in several papers. However, more modern methods of BSS for bilinear decomposition with the restriction of positiveness have appeared in the last decade. In order to explore and compare the performances of those methods a series of experiments were performed.

  4. Absorption Features in Soil Spectra Assessment.

    PubMed

    Vašát, Radim; Kodešová, Radka; Borůvka, Luboš; Jakšík, Ondřej; Klement, Aleš; Drábek, Ondřej

    2015-12-01

    From a wide range of techniques appropriate to relate spectra measurements with soil properties, partial least squares (PLS) regression and support vector machines (SVM) are most commonly used. This is due to their predictive power and the availability of software tools. Both represent exclusively statistically based approaches and, as such, benefit from multiple responses of soil material in the spectrum. However, physical-based approaches that focus only on a single spectral feature, such as simple linear regression using selected continuum-removed spectra values as a predictor variable, often provide accurate estimates. Furthermore, if this approach extends to multiple cases by taking into account three basic absorption feature parameters (area, width, and depth) of all occurring features as predictors and subjecting them to best subset selection, one can achieve even higher prediction accuracy compared with PLS regression. Here, we attempt to further extend this approach by adding two additional absorption feature parameters (left and right side area), as they can be important diagnostic markers, too. As a result, we achieved higher prediction accuracy compared with PLS regression and SVM for exchangeable soil pH, slightly higher or comparable for dithionite-citrate and ammonium oxalate extractable Fe and Mn forms, but slightly worse for oxidizable carbon content. Therefore, we suggest incorporating the multiple linear regression approach based on absorption feature parameters into existing working practices.

  5. Classification of infrared spectra from skin tumors

    NASA Astrophysics Data System (ADS)

    McIntosh, Laura M.; Mansfield, James R.; Crowson, A. Neil; Toole, John W. P.; Mantsch, Henry H.; Jackson, Michael

    2000-05-01

    The clinical differential diagnosis of skin tumors is an often-challenging task, to which the probing of skin with mid- and near-infrared (IR) light may be contributory. The development of objective methods for the analysis of IR spectra remains a major hurdle to developing clinically useful applications. The authors highlight different processing methods for IR spectra from skin biopsies and in-vivo skin tumors. Spectroscopic maps of biopsies of basal cell, squamous cell and melanocytic neoplasms were objectively grouped into distinct clusters that corresponded with tumor, epidermis, dermis, follicle and fat. Normal and abnormal skin components were located within maps using a search engine based upon linear discriminant analysis (LDA). In all instances, areas of tumor were distinct from normal tissue in biopsies. In-vivo, near-IR spectroscopy and LDA allowed discrimination between benign and malignant skin lesions with a high degree of accuracy. We conclude that IR spectroscopy has significant diagnostic promise in the skin cancer arena. The analytical methods described can now be used to create a powerful classification scheme in which to detect skin tumor cells within biopsied and living skin.

  6. SEC Vidicon spectra of Geminid meteors, 1972

    NASA Technical Reports Server (NTRS)

    Millman, P. M.; Clifton, K. S.

    1975-01-01

    The SEC Vidicon, a low light level closed circuit television system, was used to obtain 137 spectrographic records of meteors at Mt. Hopkins, Arizona, during the Geminid meteor shower in December 1972. Seven of the best Geminid meteor spectra are studied here in detail. The near infrared, out to wavelengths near 9000 A, is recorded for the first time for Geminids. The spectra, in general, exhibit the elements previously found in photographic records of this shower but show a surprising frequency of occurrence of the forbidden green line of O I at 5577 A. This line is normally absent from meteors moving as slowly as the Geminids (36 km/sec) and its presence in these records may be due to the added sensitivity available with the SEC Vidicon. The average green line duration in Geminid meteors with a luminosity near zero absolute visual magnitude is 0.73 sec at a mean height of 95 km, 11 km lower than the green line peak in Perseid meteors of the same luminosity.

  7. Spectra of Cas A's Highest Velocity Ejecta

    NASA Astrophysics Data System (ADS)

    Fesen, Robert A.; Milisavljevic, Dan

    2010-08-01

    The young age and close distance of the Galactic supernova remnant Cassiopeia A (Cas A) make it perhaps our best case study and clearest look at the explosion dynamics of a core-collapse supernova (CCSN). Interestingly, Cas A exhibits two nearly opposing streams of high velocity ejecta or `jets' in its NE and SW regions racing outward at speeds more than twice that of the main shell. The nature of these jets, however, and their possible association with an aspherical supernova explosion mechanism is controversial. A handful of existing low-resolution spectra of outer knots in the NE jet display chemical abundances hinting at an origin from the S-Si-Ca- Ar rich layer deep inside the progenitor. If these abundances could be firmly established in both the NE and SW jets, it would be very strong evidence in support of a highly asymmetrical explosion engine for Cas A's progenitor and, in turn, for CCSNe in general. We request KPNO 4m telescope + MARS time to obtain high quality multi-object spectroscopy of Cas A's highest velocity ejecta to measure their nitrogen, sulfur, oxygen, calcium, and argon abundances. These spectra will be analyzed with the metal-rich shock models of J. Raymond and then compared to current sets of CCSN models paying particular attention to knot composition vs. ejection velocity and ejecta mixing.

  8. Primordial spectra from sudden turning trajectory

    SciTech Connect

    Noumi, Toshifumi; Yamaguchi, Masahide E-mail: gucci@phys.titech.ac.jp

    2013-12-01

    Effects of heavy fields on primordial spectra of curvature perturbations are discussed in inflationary models with a sudden turning trajectory. When heavy fields are excited after the sudden turn and oscillate around the bottom of the potential, the following two effects are generically induced: deformation of the inflationary background spacetime and conversion interactions between adiabatic and isocurvature perturbations, both of which can affect the primordial density perturbations. In this paper, we calculate primordial spectra in inflationary models with sudden turning potentials taking into account both of the two effects appropriately. We find that there are some non-trivial correlations between the two effects in the power spectrum and, as a consequence, the primordial scalar power spectrum has a peak around the scale exiting the horizon at the turn. Though both effects can induce parametric resonance amplifications, they are shown to be canceled out for the case with the canonical kinetic terms. The peak feature and the scale dependence of bispectra are also discussed.

  9. Fourier transform spectra of quantum dots

    NASA Astrophysics Data System (ADS)

    Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

    2010-05-01

    Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

  10. Fourier transform spectra of quantum dots

    NASA Astrophysics Data System (ADS)

    Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

    2009-09-01

    Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

  11. The energy spectra of solar flare electrons

    NASA Technical Reports Server (NTRS)

    Evenson, P. A.; Hovestadt, D.; Meyer, P.; Moses, D.

    1985-01-01

    A survey of 50 electron energy spectra from .1 to 100 MeV originating from solar flares was made by the combination of data from two spectrometers onboard the International Sun Earth Explorer-3 spacecraft. The observed spectral shapes of flare events can be divided into two classes through the criteria of fit to an acceleration model. This standard two step acceleration model, which fits the spectral shape of the first class of flares, involves an impulsive step that accelerates particles up to 100 keV and a second step that further accelerates these particles up to 100 MeV by a single shock. This fit fails for the second class of flares that can be characterized as having excessively hard spectra above 1 MeV relative to the predictions of the model. Correlations with soft X-ray and meter radio observations imply that the acceleration of the high energy particles in the second class of flares is dominated by the impulsive phase of the flares.

  12. Odor Impression Prediction from Mass Spectra

    PubMed Central

    Nakamoto, Takamichi

    2016-01-01

    The sense of smell arises from the perception of odors from chemicals. However, the relationship between the impression of odor and the numerous physicochemical parameters has yet to be understood owing to its complexity. As such, there is no established general method for predicting the impression of odor of a chemical only from its physicochemical properties. In this study, we designed a novel predictive model based on an artificial neural network with a deep structure for predicting odor impression utilizing the mass spectra of chemicals, and we conducted a series of computational analyses to evaluate its performance. Feature vectors extracted from the original high-dimensional space using two autoencoders equipped with both input and output layers in the model are used to build a mapping function from the feature space of mass spectra to the feature space of sensory data. The results of predictions obtained by the proposed new method have notable accuracy (R≅0.76) in comparison with a conventional method (R≅0.61). PMID:27326765

  13. Serial FBG sensor network allowing overlapping spectra

    NASA Astrophysics Data System (ADS)

    Abbenseth, S.; Lochmann, S.; Ahrens, A.; Rehm, B.

    2016-05-01

    For structure or material monitoring low impact serial fiber Bragg grating (FBG) networks have attracted increasing research interest. Common sensor networks using wavelength division multiplexing (WDM) for FBG interrogation are limited in their efficiency by the spectral width of their light source, the FBG tuning range and the spectral guard bands. Overlapping spectra are strictly forbidden in this case. Applying time division multiplexing (TDM) or active resonator schemes may overcome these restrictions. However, they introduce other substantial disadvantages like signal roundtrip dependency or sophisticated control of active resonating structures. Code division multiplexing (CDM) as a means of FBG interrogation by simple autocorrelation of appropriate codes has been shown to be superior in this respect. However, it came at the cost of a second spectrometer introducing additional equalization efforts. We demonstrate a new serial FBG sensor network utilizing CDM signal processing for efficient sensor interrogation without the need of a second spectrometer and additional state of polarization (SOP) controlling components. It allows overlapping spectra even when all sensing FBGs are positioned at the same centre wavelength and it shows a high degree of insensitivity to SOP. Sequence inversed keyed (SIK) serial signal processing utilizing quasi-orthogonal balanced codes ensures simple and quick sensor interrogation with high signal-to-interference/noise ratio.

  14. Microwave Spectra of 9-FLUORENONE and Benzophenone

    NASA Astrophysics Data System (ADS)

    West, Channing; Sedo, Galen; van Wijngaarden, Jennifer

    2015-06-01

    The pure rotational spectra of 9-fluorenone (C13H8O) and benzophenone (C13H10O) were observed using chirped-pulse Fourier transform microwave spectroscopy (cp-FTMW). The 9-fluorenone spectrum was collected between 8 and 13 GHz, which allowed for the assignment of 124 rotational transitions. A separate spectrum spanning from 8 to 14 GHz was collected for benzophenone, allowing for the assignment of 133 rotational transitions. Both aromatic ketones exhibited strong b-type spectra with little to no centrifugal distortion, indicating highly rigid molecular structures. A comparison of the experimentally determined spectral constants of 9-fluorenone to those calculated using both ab initio and density functional theory strongly suggest the molecule conforms to a planar C2v symmetric geometry as expected for its polycyclic structure. Whereas, a comparison of the experimental benzophenone constants to those predicted by theory suggests a molecule with non-planar C2 symmetry, where the two phenyl groups are rotated approximately 32° out-of-plane to form a paddlewheel like geometry.

  15. Discriminating Dysarthria Type From Envelope Modulation Spectra

    PubMed Central

    Liss, Julie M.; LeGendre, Sue; Lotto, Andrew J.

    2013-01-01

    Purpose Previous research demonstrated the ability of temporally based rhythm metrics to distinguish among dysarthrias with different prosodic deficit profiles (J. M. Liss et al., 2009). The authors examined whether comparable results could be obtained by an automated analysis of speech envelope modulation spectra (EMS), which quantifies the rhythmicity of speech within specified frequency bands. Method EMS was conducted on sentences produced by 43 speakers with 1 of 4 types of dysarthria and healthy controls. The EMS consisted of the spectra of the slow-rate (up to 10 Hz) amplitude modulations of the full signal and 7 octave bands ranging in center frequency from 125 to 8000 Hz. Six variables were calculated for each band relating to peak frequency and amplitude and relative energy above, below, and in the region of 4 Hz. Discriminant function analyses (DFA) determined which sets of predictor variables best discriminated between and among groups. Results Each of 6 DFAs identified 2–6 of the 48 predictor variables. These variables achieved 84%–100% classification accuracy for group membership. Conclusions Dysarthrias can be characterized by quantifiable temporal patterns in acoustic output. Because EMS analysis is automated and requires no editing or linguistic assumptions, it shows promise as a clinical and research tool. PMID:20643800

  16. Stellar parametrization from Gaia RVS spectra

    NASA Astrophysics Data System (ADS)

    Recio-Blanco, A.; de Laverny, P.; Allende Prieto, C.; Fustes, D.; Manteiga, M.; Arcay, B.; Bijaoui, A.; Dafonte, C.; Ordenovic, C.; Ordoñez Blanco, D.

    2016-01-01

    Context. Among the myriad of data collected by the ESA Gaia satellite, about 150 million spectra will be delivered by the Radial Velocity Spectrometer (RVS) for stars as faint as GRVS~ 16. A specific stellar parametrization will be performed on most of these RVS spectra, i.e. those with enough high signal-to-noise ratio (S/N), which should correspond to single stars that have a magnitude in the RVS band brighter than ~14.5. Some individual chemical abundances will also be estimated for the brightest targets. Aims: We describe the different parametrization codes that have been specifically developed or adapted for RVS spectra within the GSP-Spec working group of the analysis consortium. The tested codes are based on optimisation (FERRE and GAUGUIN), projection (MATISSE), or pattern-recognition methods (Artificial Neural Networks). We present and discuss each of their expected performances in the recovered stellar atmospheric parameters (effective temperature, surface gravity, overall metallicity) for B- to K-type stars. The performances for determining of [α/Fe] ratios are also presented for cool stars. Methods: Each code has been homogeneously tested with a large grid of RVS simulated synthetic spectra of BAFGK-spectral types (dwarfs and giants), with metallicities varying from 10-2.5 to 10+ 0.5 the solar metallicity, and taking variations of ±0.4 dex in the composition of the α-elements into consideration. The tests were performed for S/N ranging from ten to 350. Results: For all the stellar types we considered, stars brighter than GRVS~ 12.5 are very efficiently parametrized by the GSP-Spec pipeline, including reliable estimations of [α/Fe]. Typical internal errors for FGK metal-rich and metal-intermediate stars are around 40 K in Teff, 0.10 dex in log(g), 0.04 dex in [M/H], and 0.03 dex in [α/Fe] at GRVS = 10.3. They degrade to 155 K in Teff, 0.15 dex in log(g), 0.10 dex in [M/H], and 0.1 dex in [α/Fe] at GRVS~ 12. Similar accuracies in Teff and [M/H] are

  17. Spatially Resolved Mid-IR Spectra from Meteorites; Linking Composition, Crystallographic Orientation and Spectra on the Micro-Scale

    NASA Astrophysics Data System (ADS)

    Stephen, N. R.

    2016-08-01

    IR spectroscopy is used to infer composition of extraterrestrial bodies, comparing bulk spectra to databases of separate mineral phases. We extract spatially resolved meteorite-specific spectra from achondrites with respect to zonation and orientation.

  18. Comparative analysis of characteristic electron energy loss spectra and inelastic scattering cross-section spectra of Fe

    NASA Astrophysics Data System (ADS)

    Parshin, A. S.; Igumenov, A. Yu.; Mikhlin, Yu. L.; Pchelyakov, O. P.; Zhigalov, V. S.

    2016-05-01

    The inelastic electron scattering cross section spectra of Fe have been calculated based on experimental spectra of characteristic reflection electron energy loss as dependences of the product of the inelastic mean free path by the differential inelastic electron scattering cross section on the electron energy loss. It has been shown that the inelastic electron scattering cross-section spectra have certain advantages over the electron energy loss spectra in the analysis of the interaction of electrons with substance. The peaks of energy loss in the spectra of characteristic electron energy loss and inelastic electron scattering cross sections have been determined from the integral and differential spectra. It has been shown that the energy of the bulk plasmon is practically independent of the energy of primary electrons in the characteristic electron energy loss spectra and monotonically increases with increasing energy of primary electrons in the inelastic electron scattering cross-section spectra. The variation in the maximum energy of the inelastic electron scattering cross-section spectra is caused by the redistribution of intensities over the peaks of losses due to various excitations. The inelastic electron scattering cross-section spectra have been analyzed using the decomposition of the spectra into peaks of the energy loss. This method has been used for the quantitative estimation of the contributions from different energy loss processes to the inelastic electron scattering cross-section spectra of Fe and for the determination of the nature of the energy loss peaks.

  19. Mineral Spectra from Nili Fossae, Mars

    NASA Technical Reports Server (NTRS)

    2008-01-01

    Spectra collected by the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) indicate the presence of three distinct minerals. The graphed information comes from an observation of terrain in the Nili Fossae area of northern Mars. CRISM is one of six science instruments on NASA's Mars Reconnaissance Orbiter.

    Iron-magnesium smectite clay is formed through alteration of rocks by liquid water and is characterized by distinctive absorptions at 1.4, 1.9, and 2.3 micrometers due to water (H2O) and OH in the atomic structure of the mineral. Olivine is an iron magnesium silicate and primary igneous mineral, and water is not in its structure. Its spectrum is characterized by a strong and broad absorption at 1.0 micrometer due to ferrous iron (Fe2+). Carbonate is an alteration mineral identified by the distinctive paired absorptions at 2.3 and 2.5 micrometers. The precise band positions at 2.31 and 2.51 micrometers identify the carbonate at this location as magnesium carbonate. The broad 1.0 micrometer band indicates some small amount of ferrous iron is also present and the feature at 1.9 micrometers indicates the presence of water. CRISM researchers believe the magnesium carbonate found in the Nili Fossae region formed from alteration of olivine by water.

    The data come from a CRISM image catalogued as FRT00003E12. The spectra shown here are five-pixel-by-five-pixel averages of CRISM L-detector spectra taken from three different areas within the image that have then been ratioed to a five-pixel-by-five-pixel common denominator spectrum taken from a spectrally unremarkable area with no distinctive mineralogic signatures. This technique highlights the spectral contrasts between regions due to their unique mineralogy. The spectral wavelengths near 2.0 micrometers are affected by atmospheric absorptions and have been removed for clarity.

    NASA's Jet Propulsion Laboratory, a division of the California Institute of Technology, Pasadena, manages the Mars

  20. Automatic one dimensional spectra extraction for Weihai fiber-fed high resolution echelle spectra

    NASA Astrophysics Data System (ADS)

    Hu, Shao Ming; Gao, Dong Yang

    2014-11-01

    One fiber-fed high resolution echelle spectrograph was built for the one meter telescope atWeihai Observatory of Shandong University. It is used for exoplanet searching by radial velocity method and for stellar spectra analysis. One dimensional spectra extraction from the raw echelle data is researched in this paper. Flat field images with different exposure times were used to trace the order position accurately. The accurate background was fitted from each CCD image and it was subtracted from the raw image to correct the background and straylight. The intensity of each order decreases towards the order margin, and the lengths of order are different between the blue and red regions. The order tracing during the data reduction was investigated in this work. Accurate flux can be obtained after considering the effects of bad pixels, the curvature of each order and so on. One Interactive Data Language program for one dimensional spectra extraction was adopted and implemented to echelle data reduction for Weihai fiber-fed high resolution echelle spectra, and the results are illustrated here. The program is efficient and accurate for echelle data reduction. It can be adopted to reduce data taken by other instruments even the spectrographs in other fields, and it is very convenient for astronomers.

  1. Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Nitrogen Substitution

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W.; Arnold, James O. (Technical Monitor)

    1998-01-01

    The B3LYP/4-31G approach is used to compute the harmonic frequencies of substituted naphthalene, anthracene, and their cations. The substitutions include cyano (CN), aminio (NH2), imino (NH), and replacement of a CH group by a nitrogen atom. All unique sites are considered, namely 1 and 2 for naphthalene and 1, 2, and 9 for an'tracene, except for the imino, where only 2-iminonaphthalene is studied. The IR spectra of these substituted species are compared with those of the unsubstituted molecules. The addition of a CN group does not significantly affect the spectra except to add the CN stretching frequency. Replacing a CH group by N has only a small effect on the IR spectra. The addition of the NH2 group dramatically affects the neutral spectra, giving it much of the character of the cation spectra. However, the neutral 2-irrinonaphthalene spectra looks more like that of naphthalene than like the 2-aminonaphthalene spectra.

  2. New LRS spectra for 356 bright IRAS sources

    NASA Technical Reports Server (NTRS)

    Volk, Kevin; Cohen, Martin

    1989-01-01

    The low-resolution spectra of all IRAS point sources with F(nu) (12 microns) greater than 40 Jy that were not included in the Atlas of Low-Resolution Spectra are presented. These have been classified into eight groups based upon the spectral morphology. Silicate emission spectra and red-continuum spectra associated with H II region sources form about 60 percent of this sample. All types of spectra in the LRS Atlas are represented in the sample except for emission-line sources. The sample is used to test a recent classification scheme for IRAS sources based on broadband colors. The spectra is used to test a recent classification scheme for IRAS sources based on broadband colors. The spectra are consistent with the classifications from the colors in most cases.

  3. Comparison between MAFAGS-OS spectra and Kurucz-ODF spectra

    NASA Astrophysics Data System (ADS)

    Zhang, Jiannan; Luo, Ali; Song, Yihan; Zuo, Fang

    2011-12-01

    Grids of theoretical stellar spectra are fundamental for estimating basic stellar parameters from photometric and spectroscopic data observed in large sky surveys such as SDSS, LAMOST, Gaia, etc. Do the different atmosphere models influence the parameters estimation? We compute the Lick indexes and uvby color indexes using the MAFAGS-OS grid of model atmospheres and fluxes provided by F. Grupp (personal comm.) and the Kurucz grids [1]. A spectrum comparison reveals the behavior of spectra from the MAFAGS and Kurucz grids. We find that using the (b-y) index, consistent effective temperatures can be determined from both the Kurucz and MAFAGS grids of theoretical spectra. The m1 index, together with color index, can be used to determine the metallicity of F- and G-type stars, but the measurements of the Kurucz and MAFAGS grids show systematic discrepancies for cool stars. The c1 indexes computed with both grids show small discrepancies for Teff < 6000 K, while for Teff > 6000 K, the c1 indexes agree well. The Lick indexes of the Kurucz grid and the MAFAGS grid tend to be in agreement for warm stars with temperatures above 5000 K, while for cool stars with temperatures ranging from 4000 K to 5000 K, the difference of Lick indexes for both models is apparently large. We also compare the MAFAGS spectrum and Kurucz spectrum of the same temperature, surface gravity, and metallicity using a correlation coefficient for the complete spectrum. For warm stars, the MAFAGS and Kurucz spectra are almost the same, while for cool stars below 5000 K, there are some discrepancies between the MAFAGS and Kurucz spectra that induce internal discrepancies in the parameters determination.

  4. Spectra of particulate backscattering in natural waters.

    PubMed

    Gordon, Howard R; Lewis, Marlon R; McLean, Scott D; Twardowski, Michael S; Freeman, Scott A; Voss, Kenneth J; Boynton, G Chris

    2009-08-31

    Hyperspectral profiles of downwelling irradiance and upwelling radiance in natural waters (oligotrophic and mesotrophic) are combined with inverse radiative transfer to obtain high resolution spectra of the absorption coefficient (a) and the backscattering coefficient (b(b)) of the water and its constituents. The absorption coefficient at the mesotrophic station clearly shows spectral absorption features attributable to several phytoplankton pigments (Chlorophyll a, b, c, and Carotenoids). The backscattering shows only weak spectral features and can be well represented by a power-law variation with wavelength (lambda): b(b) approximately lambda(-n), where n is a constant between 0.4 and 1.0. However, the weak spectral features in b(b)b suggest that it is depressed in spectral regions of strong particle absorption. The applicability of the present inverse radiative transfer algorithm, which omits the influence of Raman scattering, is limited to lambda < 490 nm in oligotrophic waters and lambda < 575 nm in mesotrophic waters. PMID:19724619

  5. Infrared Spectra of High Pressure Carbon Monoxide

    SciTech Connect

    Evans, W J; Lipp, M J; Lorenzana, H E

    2001-09-21

    We report infrared (IR) spectroscopic measurements of carbon monoxide (CO) at high pressures. Although CO is one of the simplest heteronuclear diatomic molecules, it displays surprisingly complex behavior at high pressures and has been the subject of several studies [1-5]. IR spectroscopic studies of high pressures phases of CO provide data complementing results from previous studies and elucidating the nature of these phases. Though a well-known and widely utilized diagnostic of molecular systems, IR spectroscopy presents several experimental challenges to high pressure diamond anvil cell research. We present measurements of the IR absorption bands of CO at high pressures and experimentally illustrate the crucial importance of accurate normalization of IR spectra specially within regions of strong absorptions in diamond.

  6. IR spectra of irradiated organic materials

    NASA Astrophysics Data System (ADS)

    Strazzulla, G.; Calcagno, L.; Foti, A. M.; Massimino, P.; Spinella, F.

    1988-05-01

    Infrared spectra of organic molecules, including frozen gases, aliphatic and aromatic polymers, complex molecules, and biological compounds are presented, and their changes due to fast ion bombardment are described. It is found that (1) the targets lose hydrogen preferentially and the stoichiometric H/C decreases; (2) the materials become more absorbing and their color changes from white to black as the ion dose increases; (3) the crystallinity, if present initially, is destroyed, and bombarded material is amorphous although microcrystallinity cannot be ruled out; (4) the skeletal vibrations are changed, indicating the occurrence of cross-lining and the formation of tridimensional networks. The astrophysical and space mission implications of these findings are addressed.

  7. On Magnetic Spectra of Earth and Mars

    NASA Technical Reports Server (NTRS)

    Voorhies, C. V.; Sabaka, T. J.; Purucker, M.

    2002-01-01

    The spectral method for distinguishing crustal from core-source magnetic fields is reexamined, modified, and applied to both a comprehensive geomagnetic field model and an altitude normalized magnetic map of Mars. The observational spectra are fairly fitted by theoretical forms expected from certain elementary classes of magnetic sources. For Earth we find fields from a core of radius 3512 +/- 64 km, in accord with the seismologic core radius of 3480 km, and a crust represented by a shell of random dipolar sources at radius 6367 +/- 14 km, near the planetary mean radius of 6371.2 km. For Mars we find no sign of a core-source field, only a field from a crust represented in same way, but at radius 3344 +/- 10 km, about 46 km below the planetary mean radius of 3389.5 km, and with sources about 9.6 +/- 3.2 times stronger.

  8. Evolution and infrared spectra of brown dwarfs

    NASA Technical Reports Server (NTRS)

    Lunine, Jonathan I.; Hubbard, William B.; Marley, Mark S.

    1986-01-01

    Self-consistent models are constructed for the structure, evolution, and observable properties of degenerately cooling objects, or 'brown dwarfs'. Model atmospheres composed of a range of likely gaseous and particulate opacity sources are calculated in order to provide a boundary condition for interior temperature-pressure profiles and to determine the emergent spectra for such objects. The radius derived from the interior models is combined with the emergent fluxes calculated from the atmosphere model to fit the data of McCarthy, Probst, and Low (1985) and to derive the luminosity and mass of VB 8B. The latter is found to be most probably an 0.05 solar mass object with effective temperature in the 1200-1500 K range and an atmosphere which very likely contains particulate absorbers. Key changes in chemical oxidation state and condensation of major constituents during the evolution of brown dwarfs are presented.

  9. A Study of Pioneer Venus Nightglow Spectra

    NASA Technical Reports Server (NTRS)

    Slanger, Tom G.

    1993-01-01

    The work performed during the 12-month period of this contract involved: (1) further analysis of latitudinal variations in the Venusian NO nightglow intensity from PVOUVS data; (2) corrections made to the input data for the VTGCM model, relating specifically to a factor of three increase in the three-body recombination rate coefficient of N + O; (3) consideration of limits on the rate of reaction of N-atoms with CO2; (4) consideration of the Venusian equivalent of the terrestrial hot N-atom reaction for NO production; and (5) successful location of video images of meteor trails from space, for the purpose of making a comparison with the meteor trail that we have hypothesized as an explanation of intense UV spectra observed on a particular Pioneer Venus (PV) orbit.

  10. Jets and Bombs: Characterizing IRIS Spectra

    NASA Astrophysics Data System (ADS)

    Schmit, Donald; Innes, Davina

    2014-06-01

    For almost two decades, SUMER has provided an unique perspective on explosive events in the lower solar atmosphere. One of the hallmark observations during this tenure is the identification of quiet sun bi-directional jets in the lower transition region. We investigate these events through two distinct avenues of study: a MHD model for reconnection and the new datasets of the Interface Region Imaging Spectrograph (IRIS). Based on forward modeling optically thin spectral profiles, we find the spectral signatures of reconnection can vary dramatically based on viewing angle and altitude. We look to the IRIS data to provide a more complete context of the chromospheric and coronal environment during these dynamic events. During a joint IRIS-SUMER observing campaign, we observed spectra of multiple jets, a small C flare, and an Ellerman bomb event. We discuss the questions that arise from the inspection of these new data.

  11. Spectra of functionalized operators arising from hypersurfaces

    NASA Astrophysics Data System (ADS)

    Hayrapetyan, Gurgen; Promislow, Keith

    2015-06-01

    Functionalized energies, such as the Functionalized Cahn-Hilliard, model phase separation in amphiphilic systems, in which interface production is limited by the competition for surfactant phase, which wets the interface. This is in contrast to classical phase-separating energies, such as the Cahn-Hilliard, in which interfacial area is energetically penalized. In binary amphiphilic mixtures, interfaces are characterized not by single layers, which separate domains of phase A from those of phase B via a heteroclinic connection, but by bilayers, which divide the domain of the dominant phase, A, via thin layers of phase B formed by homoclinic connections. Evaluating the second variation of the functionalized energy at a bilayer interface yields a functionalized operator. We characterize the center-unstable spectra of functionalized operators and obtain resolvent estimates to the operators associated with gradient flows of the functionalized energies. This is an essential step to a rigorous reduction to a sharp-interface limit.

  12. Spectra as windows into exoplanet atmospheres.

    PubMed

    Burrows, Adam S

    2014-09-01

    Understanding a planet's atmosphere is a necessary condition for understanding not only the planet itself, but also its formation, structure, evolution, and habitability. This requirement puts a premium on obtaining spectra and developing credible interpretative tools with which to retrieve vital planetary information. However, for exoplanets, these twin goals are far from being realized. In this paper, I provide a personal perspective on exoplanet theory and remote sensing via photometry and low-resolution spectroscopy. Although not a review in any sense, this paper highlights the limitations in our knowledge of compositions, thermal profiles, and the effects of stellar irradiation, focusing on, but not restricted to, transiting giant planets. I suggest that the true function of the recent past of exoplanet atmospheric research has been not to constrain planet properties for all time, but to train a new generation of scientists who, by rapid trial and error, are fast establishing a solid future foundation for a robust science of exoplanets.

  13. Spectra as windows into exoplanet atmospheres

    NASA Astrophysics Data System (ADS)

    Burrows, Adam S.

    2014-09-01

    Understanding a planet's atmosphere is a necessary condition for understanding not only the planet itself, but also its formation, structure, evolution, and habitability. This requirement puts a premium on obtaining spectra and developing credible interpretative tools with which to retrieve vital planetary information. However, for exoplanets, these twin goals are far from being realized. In this paper, I provide a personal perspective on exoplanet theory and remote sensing via photometry and low-resolution spectroscopy. Although not a review in any sense, this paper highlights the limitations in our knowledge of compositions, thermal profiles, and the effects of stellar irradiation, focusing on, but not restricted to, transiting giant planets. I suggest that the true function of the recent past of exoplanet atmospheric research has been not to constrain planet properties for all time, but to train a new generation of scientists who, by rapid trial and error, are fast establishing a solid future foundation for a robust science of exoplanets.

  14. Oxidation of carbynes: Signatures in infrared spectra

    SciTech Connect

    Cinquanta, E. E-mail: p.rudolf@rug.nl; Manini, N.; Caramella, L.; Onida, G.; Ravagnan, L.; Milani, P.; Rudolf, P. E-mail: p.rudolf@rug.nl

    2014-06-28

    We report and solidly interpret the infrared spectrum of both pristine and oxidized carbynes embedded in a pure-carbon matrix. The spectra probe separately the effects of oxidation on sp- and on sp{sup 2}-hybridized carbon, and provide information on the stability of the different structures in an oxidizing atmosphere. The final products are mostly short end-oxidized carbynes anchored with a double bond to sp{sup 2} fragments, plus an oxidized sp{sup 2} amorphous matrix. Our results have important implications for the realization of carbyne-based nano-electronics devices and highlight the active participation of carbynes in astrochemical reactions where they act as carbon source for the promotion of more complex organic species.

  15. Spectra of Microwave Oscillations in Ferrospinel Films

    NASA Astrophysics Data System (ADS)

    Badrtdinov, G. S.; Mitlina, L. A.; Meleshko, N. V.

    2016-09-01

    The absorption spectra of ferrospinel single crystal films obtained by the method of chemical transport reactions are considered. It is demonstrated that along with a homogeneous resonance, additional absorption peaks corresponding to exchange spin modes localized in the surface layer are observed in the absorption spectrum investigated with an EPR spectrometer in the case of perpendicular orientation of the film with respect to an external static magnetic field. Resonant interaction of magnetostatic oscillations with exchange spin modes in the surface layer is detected in the case of tangent magnetization. The width of the magnetostatic layer and the ranges of existence of the surface and volume modes depend on the relationship between the constants of uniaxial surface anisotropy and crystallographic magnetic anisotropy. The wave numbers of the magnetostatic and exchange spin modes, the parameters of inhomogeneous exchange, and the effective magnon masses are calculated.

  16. X ray spectra of cataclysmic variables

    NASA Technical Reports Server (NTRS)

    Patterson, Joseph; Halpern, Jules

    1990-01-01

    X ray spectral parameters of cataclysmic variables observed with the 'Einstein' imaging proportional counter were determined by fitting an optically thin, thermal bremsstrahlung spectrum to the raw data. Most of the sources show temperatures of order a few keV, while a few sources exhibit harder spectra with temperatures in excess of 10 keV. Estimated 0.1 to 3.5 keV luminosities are generally in the range from 10(exp 30) to 10(exp 32) erg/sec. The results are consistent with the x rays originating in a disk/white dwarf boundary layer of non-magnetic systems, or in a hot, post-shock region in the accretion column of DQ Her stars, with a negligible contribution from the corona of the companion. In a few objects column densities were found that are unusually high for interstellar material. It was suggested that the absorption occurs in the system itself.

  17. Reflectance Spectra of the Juneau Icefield

    NASA Astrophysics Data System (ADS)

    Hughes-Allen, L.; Popyack, K.; Peter, A.; Perera, E.; Pope, A.

    2015-12-01

    Snow reflectance is an important input to understanding a glacier's surface energy balance. It is also useful for quantifying other snow properties such as impurities and grain size. In cooperation with the Juneau Icefield Research Program, we measured the spectral reflectance and albedo of a range of targets, collecting a spectral catalogue of the Taku glacier system. Using this spectral library, the main foci of this study are linking red algae biomass to spectral reflectance, quantifying the radiative forcing of impurities in suncups, and testing a snow grain size retrieval algorithm. Impurities, algae, and large snow grains all reduce the reflectance of shortwave radiation but with unique spectral signatures. In addition, spectra are used in conjunction with satellite imagery to investigate the spatial variability of albedo and therefore impurities on the Taku Glacier.

  18. IIB soliton spectra with all fluxes activated

    NASA Astrophysics Data System (ADS)

    Evslin, Jarah

    2003-05-01

    Building upon an earlier proposal for the classification of fluxes, a sequence is proposed which generalizes the AHSS by computing type IIB string theory's group of conserved RR and also NS charges, which is conjectured to be a K-theory of dual pairs. As a test of this proposal, the formalism of Maldacena, Moore and Seiberg ( arxiv:hep-th/0108100) is applied to classify D-branes, NS5-branes, F-strings and their dielectric counterparts in IIB compactified on a 3-sphere with both NS and RR background fluxes. The soliton spectra on the 3-sphere are then compared with the output of the sequence, as is the baryon spectrum in Witten's non- spinc example, AdS 5× RP5. The group of conserved charges is seen to change during Brown-Teitelboim-like phase transitions which change the effective cosmological constant.

  19. UV Spectra, Bombs, and the Solar Atmosphere

    NASA Astrophysics Data System (ADS)

    Judge, Philip G.

    2015-08-01

    A recent analysis of UV data from the Interface Region Imaging Spectrograph (IRIS) reports plasma “bombs” with temperatures near 8 × 104 K within the solar photosphere. This is a curious result, first because most bomb plasma pressures p (the largest reported case exceeds 103 dyn cm-2) fall well below photospheric pressures (\\gt 7× {10}3), and second, UV radiation cannot easily escape from the photosphere. In the present paper the IRIS data is independently analyzed. I find that the bombs arise from plasma originally at pressures between ≤ 80 and 800 dyne cm-2 before explosion, i.e., between ≥ 850 and 550 km above {τ }500=1. This places the phenomenon’s origin in the low-mid chromosphere or above. I suggest that bomb spectra are more compatible with Alfvénic turbulence than with bi-directional reconnection jets.

  20. Radioactive sample effects on EDXRF spectra

    SciTech Connect

    Worley, Christopher G

    2008-01-01

    Energy dispersive X-ray fluorescence (EDXRF) is a rapid, straightforward method to determine sample elemental composition. A spectrum can be collected in a few minutes or less, and elemental content can be determined easily if there is adequate energy resolution. Radioactive alpha emitters, however, emit X-rays during the alpha decay process that complicate spectral interpretation. This is particularly noticeable when using a portable instrument where the detector is located in close proximity to the instrument analysis window held against the sample. A portable EDXRF instrument was used to collect spectra from specimens containing plutonium-239 (a moderate alpha emitter) and americium-241 (a heavy alpha emitter). These specimens were then analyzed with a wavelength dispersive XRF (WDXRF) instrument to demonstrate the differences to which sample radiation-induced X-ray emission affects the detectors on these two types of XRF instruments.

  1. Satellite spectra for helium-like titanium

    SciTech Connect

    Bely-Dubac, F.; Faucher, P.; Steeman-Clark, L.; Dubau, J.; Cammy-Val, C.; Bitter, M.; Hill, K.W.; von Goeler, S.

    1982-06-01

    Wavelengths and atomic parameters for both dielectronic and inner-shell satellite lines of the type ls/sup 2/ nl - 1s2l' nl, with n = 2, 3, and 4, have been calculated for Ti XX. The atomic data were calculated in a multiconfiguration intermediate coupling scheme and are compared with previous results for n = 2. The intensities of the higher n satellites are derived from these data, and thus an estimate of the contribution of the unresolved dielectronic satellites to the resonance line is obtained. Direct excitation rates are also given for the resonance, intercombination and forbidden lines for He-like titanium. Cascades and the effect of resonances for these lines are not considered in this paper. These results are used to fit an experimental soft x-ray spectrum from the PDX (Poloidal Divertor Experiment) tokamak discharge. Good agreement is obtained between computed and observed spectra.

  2. Spectra as windows into exoplanet atmospheres.

    PubMed

    Burrows, Adam S

    2014-09-01

    Understanding a planet's atmosphere is a necessary condition for understanding not only the planet itself, but also its formation, structure, evolution, and habitability. This requirement puts a premium on obtaining spectra and developing credible interpretative tools with which to retrieve vital planetary information. However, for exoplanets, these twin goals are far from being realized. In this paper, I provide a personal perspective on exoplanet theory and remote sensing via photometry and low-resolution spectroscopy. Although not a review in any sense, this paper highlights the limitations in our knowledge of compositions, thermal profiles, and the effects of stellar irradiation, focusing on, but not restricted to, transiting giant planets. I suggest that the true function of the recent past of exoplanet atmospheric research has been not to constrain planet properties for all time, but to train a new generation of scientists who, by rapid trial and error, are fast establishing a solid future foundation for a robust science of exoplanets. PMID:24613929

  3. Optical absorption spectra of dications of carotenoids

    SciTech Connect

    Jeevarajan, J.A.; Wei, C.C.; Jeevarajan, A.S.; Kispert, L.D.

    1996-04-04

    Quantitative optical absorption spectra of the cation radicals and the dications of canthaxanthin (I), {beta}carotene (II), 7`-cyano-7`-ethoxycarbonyl-7`-apo-{beta}-carotene (III), and 7`,7`-dimethyl-7`-apo-{beta}-carotene (IV) in dichloromethane solution are reported. Exclusive formation of dications occurs when the carotenoids are oxidized with ferric chloride. Addition of neutral carotenoid to the dications results in equilibrium formation of cation radicals. Oxidation with iodine in dichloromethane affords only cation radicals; electrochemical oxidation under suitable conditions yields both dications and cation radicals. Values of the optical parameters depend on the nature of the oxidative medium. The oscillator strengths calculated for gas phase cation radicals and dications of I-IV using the INDO/S method show the same trend as the experimental values. 31 refs., 4 figs., 2 tabs.

  4. Spectra of Particulate Backscattering in Natural Waters

    NASA Technical Reports Server (NTRS)

    Gordon, Howard, R.; Lewis, Marlon R.; McLean, Scott D.; Twardowski, Michael S.; Freeman, Scott A.; Voss, Kenneth J.; Boynton, Chris G.

    2009-01-01

    Hyperspectral profiles of downwelling irradiance and upwelling radiance in natural waters (oligotrophic and mesotrophic) are combined with inverse radiative transfer to obtain high resolution spectra of the absorption coefficient (a) and the backscattering coefficient (bb) of the water and its constituents. The absorption coefficient at the mesotrophic station clearly shows spectral absorption features attributable to several phytoplankton pigments (Chlorophyll a, b, c, and Carotenoids). The backscattering shows only weak spectral features and can be well represented by a power-law variation with wavelength (lambda): b(sub b) approx. Lambda(sup -n), where n is a constant between 0.4 and 1.0. However, the weak spectral features in b(sub b), suggest that it is depressed in spectral regions of strong particle absorption. The applicability of the present inverse radiative transfer algorithm, which omits the influence of Raman scattering, is limited to lambda < 490 nm in oligotrophic waters and lambda < 575 nm in mesotrophic waters.

  5. Workshop to establish databases of carbohydrate spectra

    SciTech Connect

    1995-12-31

    The workshop was organized to formulate guidelines for establishing spectral databases of complex carbohydrates. The databases will enable the scientific community to avoid the great waste of research effort and funds that frequently occurs when carbohydrate chemists are forced to duplicate the structural characterization of previously characterized complex carbohydrates. Chemists waste their effort on repetitive characterizations because in the absence of spectral databases they are unaware they are analyzing a known molecule until they have completely determined its structure. Chemists will be able to avoid much of this wasted effort when the collections of mass and of nuclear magnetic resonance (NMR) spectra initiated at the workshop are subsequently developed into searchable databases. Then scientists only need query the databases with the spectrum or with information defining the spectrum of an unidentified carbohydrate to find out if it has been previously characterized.

  6. HF Accelerated Electron Fluxes, Spectra, and Ionization

    NASA Astrophysics Data System (ADS)

    Carlson, Herbert C.; Jensen, Joseph B.

    2015-10-01

    Wave particle interactions, an essential aspect of laboratory, terrestrial, and astrophysical plasmas, have been studied for decades by transmitting high power HF radio waves into Earth's weakly ionized space plasma, to use it as a laboratory without walls. Application to HF electron acceleration remains an active area of research (Gurevich in Usp Fizicheskikh Nauk 177(11):1145-1177, 2007) today. HF electron acceleration studies began when plasma line observations proved (Carlson et al. in J Atmos Terr Phys 44:1089-1100, 1982) that high power HF radio wave-excited processes accelerated electrons not to ~eV, but instead to -100 times thermal energy (10 s of eV), as a consequence of inelastic collision effects on electron transport. Gurevich et al (J Atmos Terr Phys 47:1057-1070, 1985) quantified the theory of this transport effect. Merging experiment with theory in plasma physics and aeronomy, enabled prediction (Carlson in Adv Space Res 13:1015-1024, 1993) of creating artificial ionospheres once ~GW HF effective radiated power could be achieved. Eventual confirmation of this prediction (Pedersen et al. in Geophys Res Lett 36:L18107, 2009; Pedersen et al. in Geophys Res Lett 37:L02106, 2010; Blagoveshchenskaya et al. in Ann Geophys 27:131-145, 2009) sparked renewed interest in optical inversion to estimate electron spectra in terrestrial (Hysell et al. in J Geophys Res Space Phys 119:2038-2045, 2014) and planetary (Simon et al. in Ann Geophys 29:187-195, 2011) atmospheres. Here we present our unpublished optical data, which combined with our modeling, lead to conclusions that should meaningfully improve future estimates of the spectrum of HF accelerated electron fluxes. Photometric imaging data can significantly improve detection of emissions near ionization threshold, and confirm depth of penetration of accelerated electrons many km below the excitation altitude. Comparing observed to modeled emission altitude shows future experiments need electron density profiles

  7. Curved Radio Spectra of Weak Cluster Shocks

    NASA Astrophysics Data System (ADS)

    Kang, Hyesung; Ryu, Dongsu

    2015-08-01

    In order to understand certain observed features of arc-like giant radio relics such as the rareness, uniform surface brightness, and curved integrated spectra, we explore a diffusive shock acceleration (DSA) model for radio relics in which a spherical shock impinges on a magnetized cloud containing fossil relativistic electrons. Toward this end, we perform DSA simulations of spherical shocks with the parameters relevant for the Sausage radio relic in cluster CIZA J2242.8+5301, and calculate the ensuing radio synchrotron emission from re-accelerated electrons. Three types of fossil electron populations are considered: a delta-function like population with the shock injection momentum, a power-law distribution, and a power law with an exponential cutoff. The surface brightness profile of the radio-emitting postshock region and the volume-integrated radio spectrum are calculated and compared with observations. We find that the observed width of the Sausage relic can be explained reasonably well by shocks with speed {u}{{s}}˜ 3× {10}3 {km} {{{s}}}-1 and sonic Mach number {M}{{s}}˜ 3. These shocks produce curved radio spectra that steepen gradually over (0.1-10){ν }{br} with a break frequency {ν }{br}˜ 1 GHz if the duration of electron acceleration is ˜60-80 Myr. However, the abrupt increase in the spectral index above ˜1.5 GHz observed in the Sausage relic seems to indicate that additional physical processes, other than radiative losses, operate for electrons with {γ }{{e}}≳ {10}4.

  8. Universality of vibrational spectra of globular proteins

    NASA Astrophysics Data System (ADS)

    Na, Hyuntae; Song, Guang; ben-Avraham, Daniel

    2016-02-01

    It is shown that the density of modes of the vibrational spectrum of globular proteins is universal, i.e. regardless of the protein in question, it closely follows one universal curve. The present study, including 135 proteins analyzed with a full atomic empirical potential (CHARMM22) and using the full complement of all atoms Cartesian degrees of freedom, goes far beyond previous claims of universality, confirming that universality holds even in the frequency range that is well above 100 cm-1 (300-4000 cm-1), where peaks and turns in the density of states are faithfully reproduced from one protein to the next. We also characterize fluctuations of the spectral density from the average, paving the way to a meaningful discussion of rare, unusual spectra and the structural reasons for the deviations in such ‘outlier’ proteins. Since the method used for the derivation of the vibrational modes (potential energy formulation, set of degrees of freedom employed, etc) has a dramatic effect on the spectral density, another significant implication of our findings is that the universality can provide an exquisite tool for assessing and improving the quality of potential functions and the quality of various models used for NMA computations. Finally, we show that the input configuration also affects the density of modes, thus emphasizing the importance of simplified potential energy formulations that are minimized at the outset. In summary, our findings call for a serious two-way dialogue between theory and experiment: experimental spectra of proteins could now guide the fine tuning of theoretical empirical potentials, and the various features and peaks observed in theoretical studies—being universal, and hence now rising in importance—would hopefully spur experimental confirmation.

  9. Universality of vibrational spectra of globular proteins.

    PubMed

    Na, Hyuntae; Song, Guang; ben-Avraham, Daniel

    2016-02-23

    It is shown that the density of modes of the vibrational spectrum of globular proteins is universal, i.e. regardless of the protein in question, it closely follows one universal curve. The present study, including 135 proteins analyzed with a full atomic empirical potential (CHARMM22) and using the full complement of all atoms Cartesian degrees of freedom, goes far beyond previous claims of universality, confirming that universality holds even in the frequency range that is well above 100 cm(-1) (300-4000 cm(-1)), where peaks and turns in the density of states are faithfully reproduced from one protein to the next. We also characterize fluctuations of the spectral density from the average, paving the way to a meaningful discussion of rare, unusual spectra and the structural reasons for the deviations in such 'outlier' proteins. Since the method used for the derivation of the vibrational modes (potential energy formulation, set of degrees of freedom employed, etc) has a dramatic effect on the spectral density, another significant implication of our findings is that the universality can provide an exquisite tool for assessing and improving the quality of potential functions and the quality of various models used for NMA computations. Finally, we show that the input configuration also affects the density of modes, thus emphasizing the importance of simplified potential energy formulations that are minimized at the outset. In summary, our findings call for a serious two-way dialogue between theory and experiment: experimental spectra of proteins could now guide the fine tuning of theoretical empirical potentials, and the various features and peaks observed in theoretical studies--being universal, and hence now rising in importance--would hopefully spur experimental confirmation.

  10. Spectra of small Koronis family members

    NASA Astrophysics Data System (ADS)

    Thomas, C.; Rivkin, A.; Trilling, D.; Moskovitz, N.

    2014-07-01

    The space-weathering process and its implications for the relationships between S- and Q-type asteroids and ordinary chondrite meteorites are long-standing problems in asteroid science. Although the visible and near-infrared spectra of S- and Q-type objects qualitatively show the same absorption features and quantitatively show evidence of the same minerals, the S types display increased spectral slopes and muted absorption features compared to the Q types. This spectral mismatch is consistent with the effects of the space weathering process. Binzel et al. provided the missing link between Q- and S-type bodies in near-Earth space by showing a reddening of spectral slope in objects from 0.1 to 5 km that corresponded to the transition from Q- to S-type spectra. This result implied that size, and therefore age, is related to the relationship between Q- and S-type. The existence of Q-type objects in the main belt was not confirmed until Mothe-Diniz and Nesvorny (2008) found them in young S-type clusters. To investigate the trend from Q to S in the main belt, we examined space weathering within the old main-belt Koronis family using a spectrophotometric survey (Rivkin et al. 2011, Thomas et al. 2011). Rivkin et al. (2011) identified several potential Q-type objects within the Koronis family. Our Q-type candidates were identified using broad-band spectrophotometry and could not be taxonomically classified on that basis alone. We obtained follow-up visible and near-infrared spectral observations of our potential Q-type objects, (26970) Elias, (45610) 2000 DJ_{48}, and (37411) 2001 XF_{152}, using Gemini and Magellan. We will present the results of these spectral follow-up observations. Observations of (26970) Elias demonstrate that the object is more consistent with the average Q-type spectrum than the average S-type spectrum.

  11. Polarization effects in cutaneous autofluorescent spectra

    NASA Astrophysics Data System (ADS)

    Borisova, E.; Angelova, L.; Jeliazkova, Al.; Genova, Ts.; Pavlova, E.; Troyanova, P.; Avramov, L.

    2014-05-01

    Used polarized light for fluorescence excitation one could obtain response related to the anisotropy features of extracellular matrix. The fluorophore anisotropy is attenuated during lesions' growth and level of such decrease could be correlated with the stage of tumor development. Our preliminary investigations are based on in vivo point-by-point measurements of excitation-emission matrices (EEM) from healthy volunteers skin on different ages and from different anatomical places using linear polarizer and analyzer for excitation and emission light detected. Measurements were made using spectrofluorimeter FluoroLog 3 (HORIBA Jobin Yvon, France) with fiber-optic probe in steady-state regime using excitation in the region of 280-440 nm. Three different situations were evaluated and corresponding excitation-emission matrices were developed - with parallel and perpendicular positions for linear polarizer and analyzer, and without polarization of excitation and fluorescence light detected from a forearm skin surface. The fluorescence spectra obtained reveal differences in spectral intensity, related to general attenuation, due to filtering effects of used polarizer/analyzer couple. Significant spectral shape changes were observed for the complex autofluorescence signal detected, which correlated with collagen and protein cross-links fluorescence, that could be addressed to the tissue extracellular matrix and general condition of the skin investigated, due to morphological destruction during lesions' growth. A correlation between volunteers' age and the fluorescence spectra detected was observed during our measurements. Our next step is to increase developed initial database and to evaluate all sources of intrinsic fluorescent polarization effects and found if they are significantly altered from normal skin to cancerous state of the tissue, this way to develop a non-invasive diagnostic tool for dermatological practice.

  12. [Raman spectra of monkey cerebral cortex tissue].

    PubMed

    Zhu, Ji-chun; Guo, Jian-yu; Cai, Wei-ying; Wang, Zu-geng; Sun, Zhen-rong

    2010-01-01

    Monkey cerebral cortex, an important part in the brain to control action and thought activities, is mainly composed of grey matter and nerve cell. In the present paper, the in situ Raman spectra of the cerebral cortex of the birth, teenage and aged monkeys were achieved for the first time. The results show that the Raman spectra for the different age monkey cerebral cortex exhibit most obvious changes in the regions of 1000-1400 and 2800-3000 cm(-1). With monkey growing up, the relative intensities of the Raman bands at 1313 and 2885 cm(-1) mainly assigned to CH2 chain vibrational mode of lipid become stronger and stronger whereas the relative intensities of the Raman bands at 1338 and 2932 cm(-1) mainly assigned to CH3 chain vibrational mode of protein become weaker and weaker. In addition, the two new Raman bands at 1296 and 2850 cm(-1) are only observed in the aged monkey cerebral cortex, therefore, the two bands can be considered as a character or "marker" to differentiate the caducity degree with monkey growth In order to further explore the changes, the relative intensity ratios of the Raman band at 1313 cm(-1) to that at 1338 cm(-1) and the Raman band at 2885 cm(-1) to that at 2 932 cm(-1), I1313/I1338 and I2885/I2932, which are the lipid-to-protein ratios, are introduced to denote the degree of the lipid content. The results show that the relative intensity ratios increase significantly with monkey growth, namely, the lipid content in the cerebral cortex increases greatly with monkey growth. So, the authors can deduce that the overmuch lipid is an important cause to induce the caducity. Therefore, the results will be a powerful assistance and valuable parameter to study the order of life growth and diagnose diseases.

  13. Curved Radio Spectra of Weak Cluster Shocks

    NASA Astrophysics Data System (ADS)

    Kang, Hyesung; Ryu, Dongsu

    2015-08-01

    In order to understand certain observed features of arc-like giant radio relics such as the rareness, uniform surface brightness, and curved integrated spectra, we explore a diffusive shock acceleration (DSA) model for radio relics in which a spherical shock impinges on a magnetized cloud containing fossil relativistic electrons. Toward this end, we perform DSA simulations of spherical shocks with the parameters relevant for the Sausage radio relic in cluster CIZA J2242.8+5301, and calculate the ensuing radio synchrotron emission from re-accelerated electrons. Three types of fossil electron populations are considered: a delta-function like population with the shock injection momentum, a power-law distribution, and a power law with an exponential cutoff. The surface brightness profile of the radio-emitting postshock region and the volume-integrated radio spectrum are calculated and compared with observations. We find that the observed width of the Sausage relic can be explained reasonably well by shocks with speed {u}{{s}}∼ 3× {10}3 {km} {{{s}}}-1 and sonic Mach number {M}{{s}}∼ 3. These shocks produce curved radio spectra that steepen gradually over (0.1–10){ν }{br} with a break frequency {ν }{br}∼ 1 GHz if the duration of electron acceleration is ∼60–80 Myr. However, the abrupt increase in the spectral index above ∼1.5 GHz observed in the Sausage relic seems to indicate that additional physical processes, other than radiative losses, operate for electrons with {γ }{{e}}≳ {10}4.

  14. THEORETICAL SPECTRA OF TERRESTRIAL EXOPLANET SURFACES

    SciTech Connect

    Hu Renyu; Seager, Sara; Ehlmann, Bethany L.

    2012-06-10

    We investigate spectra of airless rocky exoplanets with a theoretical framework that self-consistently treats reflection and thermal emission. We find that a silicate surface on an exoplanet is spectroscopically detectable via prominent Si-O features in the thermal emission bands of 7-13 {mu}m and 15-25 {mu}m. The variation of brightness temperature due to the silicate features can be up to 20 K for an airless Earth analog, and the silicate features are wide enough to be distinguished from atmospheric features with relatively high resolution spectra. The surface characterization thus provides a method to unambiguously identify a rocky exoplanet. Furthermore, identification of specific rocky surface types is possible with the planet's reflectance spectrum in near-infrared broad bands. A key parameter to observe is the difference between K-band and J-band geometric albedos (A{sub g}(K) - A{sub g}(J)): A{sub g}(K) - A{sub g}(J) > 0.2 indicates that more than half of the planet's surface has abundant mafic minerals, such as olivine and pyroxene, in other words primary crust from a magma ocean or high-temperature lavas; A{sub g}(K) - A{sub g}(J) < -0.09 indicates that more than half of the planet's surface is covered or partially covered by water ice or hydrated silicates, implying extant or past water on its surface. Also, surface water ice can be specifically distinguished by an H-band geometric albedo lower than the J-band geometric albedo. The surface features can be distinguished from possible atmospheric features with molecule identification of atmospheric species by transmission spectroscopy. We therefore propose that mid-infrared spectroscopy of exoplanets may detect rocky surfaces, and near-infrared spectrophotometry may identify ultramafic surfaces, hydrated surfaces, and water ice.

  15. High Pressure Oxygen A-Band Spectra

    NASA Astrophysics Data System (ADS)

    Drouin, Brian; Sung, Keeyoon; Yu, Shanshan; Lunny, Elizabeth M.; Bui, Thinh Quoc; Okumura, Mitchio; Rupasinghe, Priyanka; Bray, Caitlin; Long, David A.; Hodges, Joseph; Robichaud, David; Benner, D. Chris; Devi, V. Malathy; Hoo, Jiajun

    2015-06-01

    Composition measurements from remote sensing platforms require knowledge of air mass to better than the desired precision of the composition. Oxygen spectra allow determination of air mass since the mixing ratio of oxygen is fixed. The OCO-2 mission is currently retrieving carbon dioxide concentration using the oxygen A-band for air mass normalization. The 0.25% accuracy desired for the carbon dioxide concentration has pushed the state-of-the-art for oxygen spectroscopy. To produce atmospheric pressure A-band cross-sections with this accuracy requires a sophisticated line-shape model (Galatry or Speed-Dependent) with line mixing (LM) and collision induced absorption (CIA). Models of each of these phenomena exist, but an integrated self-consistent model must be developed to ensure accuracy. This presentation will describe the ongoing effort to parameterize these phenomena on a representative data set created from complementary experimental techniques. The techniques include Fourier transform spectroscopy (FTS), photo-acoustic spectroscopy (PAS) and cavity ring-down spectroscopy (CRDS). CRDS data allow long-pathlength measurements with absolute intensities, providing lineshape information as well as LM and CIA, however the subtleties of the lineshape are diminished in the saturated line-centers. Conversely, the short paths and large dynamic range of the PAS data allow the full lineshape to be discerned, but with an arbitrary intensity axis. Finally, the FTS data provides intermediate paths and consistency across a broad pressure range. These spectra are all modeled with the Labfit software using first the spectral line database HITRAN, and then model values are adjusted and fitted for better agreement with the data.

  16. Cooling Flow Spectra in Ginga Galaxy Clusters

    NASA Technical Reports Server (NTRS)

    White, Raymond E., III

    1997-01-01

    The primary focus of this research project has been a joint analysis of Ginga LAC and Einstein SSS X-ray spectra of the hot gas in galaxy clusters with cooling flows is reported. We studied four clusters (A496, A1795, A2142 & A2199) and found their central temperatures to be cooler than in the exterior, which is expected from their having cooling flows. More interestingly, we found central metal abundance enhancements in two of the clusters, A496 and A2142. We have been assessing whether the abundance gradients (or lack thereof) in intracluster gas is correlated with galaxy morphological gradients in the host clusters. In rich, dense galaxy clusters, elliptical and SO galaxies are generally found in the cluster cores, while spiral galaxies are found in the outskirts. If the metals observed in clusters came from proto-ellipticals and proto-S0s blowing winds, then the metal distribution in intracluster gas may still reflect the distribution of their former host galaxies. In a research project which was inspired by the success of the Ginga LAC/Einstein SSS work, we analyzed X-ray spectra from the HEAO-A2 MED and the Einstein SSS to look for temperature gradients in cluster gas. The HEAO-A2 MED was also a non-imaging detector with a large field of view compared to the SSS, so we used the differing fields of view of the two instruments to extract spatial information. We found some evidence of cool gas in the outskirts of clusters, which may indicate that the nominally isothermal mass density distributions in these clusters are steepening in the outer parts of these clusters.

  17. Prediction of electroencephalographic spectra from neurophysiology

    NASA Astrophysics Data System (ADS)

    Robinson, P. A.; Rennie, C. J.; Wright, J. J.; Bahramali, H.; Gordon, E.; Rowe, D. L.

    2001-02-01

    A recent neurophysical model of propagation of electrical waves in the cortex is extended to include a physiologically motivated subcortical feedback loop via the thalamus. The electroencephalographic spectrum when the system is driven by white noise is then calculated analytically in terms of physiological parameters, including the effects of filtering of signals by the cerebrospinal fluid, skull, and scalp. The spectral power at low frequencies is found to vary as f-1 when awake and f-3 when asleep, with a breakpoint to a steeper power-law tail at frequencies above about 20 Hz in both cases; the f-1 range concurs with recent magnetoencephalographic observations of such a regime. Parameter sensitivities are explored, enabling a model with fewer free parameters to be proposed, and showing that spectra predicted for physiologically reasonable parameter values strongly resemble those observed in the laboratory. Alpha and beta peaks seen near 10 Hz and twice that frequency, respectively, in the relaxed wakeful state are generated via subcortical feedback in this model, thereby leading to predictions of their frequencies in terms of physiological parameters, and of correlations in their occurrence. Subcortical feedback is also predicted to be responsible for production of anticorrelated peaks in deep sleep states that correspond to the occurrence of theta rhythm at around half the alpha frequency and sleep spindles at 3/2 times the alpha frequency. An additional positively correlated waking peak near three times the alpha frequency is also predicted and tentatively observed, as are two new types of sleep spindle near 5/2 and 7/2 times the alpha frequency, and anticorrelated with alpha. These results provide a theoretical basis for the conventional division of EEG spectra into frequency bands, but imply that the exact bounds of these bands depend on the individual. Three types of potential instability are found: one at zero frequency, another in the theta band at around

  18. Alkyl nitrate formation from the reactions of C8-C14 n-alkanes with OH radicals in the presence of NO(x): measured yields with essential corrections for gas-wall partitioning.

    PubMed

    Yeh, Geoffrey K; Ziemann, Paul J

    2014-09-18

    In this study, C8-C14 n-alkanes were reacted with OH radicals in the presence of NO(x) in a Teflon film environmental chamber and isomer-specific yields of alkyl nitrates were determined using gas chromatography. Because results indicated significant losses of alkyl nitrates to chamber walls, gas-wall partitioning was investigated by monitoring the concentrations of a suite of synthesized alkyl nitrates added to the chamber. Gas-to-wall partitioning increased with increasing carbon number and with proximity of the nitrooxy group to the terminal carbon, with losses as high as 86%. The results were used to develop a structure-activity model to predict the effects of carbon number and isomer structure on gas-wall partitioning, which was used to correct the measured yields of alkyl nitrate isomers formed in chamber reactions. The resulting branching ratios for formation of secondary alkyl nitrates were similar for all isomers of a particular carbon number, and average values, which were almost identical to alkyl nitrate yields, were 0.219, 0.206, 0.254, 0.291, and 0.315 for reactions of n-octane, n-decane, n-dodecane, n-tridecane, and n-tetradecane, respectively. The increase in average branching ratios and alkyl nitrate yields with increasing carbon number to a plateau value of ∼0.30 at about C13-C14 is consistent with predictions of a previously developed model, indicating that the model is valid for alkane carbon numbers ≥C3.

  19. Alkyl nitrate formation from the reactions of C8-C14 n-alkanes with OH radicals in the presence of NO(x): measured yields with essential corrections for gas-wall partitioning.

    PubMed

    Yeh, Geoffrey K; Ziemann, Paul J

    2014-09-18

    In this study, C8-C14 n-alkanes were reacted with OH radicals in the presence of NO(x) in a Teflon film environmental chamber and isomer-specific yields of alkyl nitrates were determined using gas chromatography. Because results indicated significant losses of alkyl nitrates to chamber walls, gas-wall partitioning was investigated by monitoring the concentrations of a suite of synthesized alkyl nitrates added to the chamber. Gas-to-wall partitioning increased with increasing carbon number and with proximity of the nitrooxy group to the terminal carbon, with losses as high as 86%. The results were used to develop a structure-activity model to predict the effects of carbon number and isomer structure on gas-wall partitioning, which was used to correct the measured yields of alkyl nitrate isomers formed in chamber reactions. The resulting branching ratios for formation of secondary alkyl nitrates were similar for all isomers of a particular carbon number, and average values, which were almost identical to alkyl nitrate yields, were 0.219, 0.206, 0.254, 0.291, and 0.315 for reactions of n-octane, n-decane, n-dodecane, n-tridecane, and n-tetradecane, respectively. The increase in average branching ratios and alkyl nitrate yields with increasing carbon number to a plateau value of ∼0.30 at about C13-C14 is consistent with predictions of a previously developed model, indicating that the model is valid for alkane carbon numbers ≥C3. PMID:24654572

  20. Nuclear quadrupole resonance lineshape analysis for different motional models: Stochastic Liouville approach

    NASA Astrophysics Data System (ADS)

    Kruk, D.; Earle, K. A.; Mielczarek, A.; Kubica, A.; Milewska, A.; Moscicki, J.

    2011-12-01

    A general theory of lineshapes in nuclear quadrupole resonance (NQR), based on the stochastic Liouville equation, is presented. The description is valid for arbitrary motional conditions (particularly beyond the valid range of perturbation approaches) and interaction strengths. It can be applied to the computation of NQR spectra for any spin quantum number and for any applied magnetic field. The treatment presented here is an adaptation of the "Swedish slow motion theory," [T. Nilsson and J. Kowalewski, J. Magn. Reson. 146, 345 (2000), 10.1006/jmre.2000.2125] originally formulated for paramagnetic systems, to NQR spectral analysis. The description is formulated for simple (Brownian) diffusion, free diffusion, and jump diffusion models. The two latter models account for molecular cooperativity effects in dense systems (such as liquids of high viscosity or molecular glasses). The sensitivity of NQR slow motion spectra to the mechanism of the motional processes modulating the nuclear quadrupole interaction is discussed.

  1. Nuclear quadrupole resonance lineshape analysis for different motional models: stochastic Liouville approach.

    PubMed

    Kruk, D; Earle, K A; Mielczarek, A; Kubica, A; Milewska, A; Moscicki, J

    2011-12-14

    A general theory of lineshapes in nuclear quadrupole resonance (NQR), based on the stochastic Liouville equation, is presented. The description is valid for arbitrary motional conditions (particularly beyond the valid range of perturbation approaches) and interaction strengths. It can be applied to the computation of NQR spectra for any spin quantum number and for any applied magnetic field. The treatment presented here is an adaptation of the "Swedish slow motion theory," [T. Nilsson and J. Kowalewski, J. Magn. Reson. 146, 345 (2000)] originally formulated for paramagnetic systems, to NQR spectral analysis. The description is formulated for simple (Brownian) diffusion, free diffusion, and jump diffusion models. The two latter models account for molecular cooperativity effects in dense systems (such as liquids of high viscosity or molecular glasses). The sensitivity of NQR slow motion spectra to the mechanism of the motional processes modulating the nuclear quadrupole interaction is discussed. PMID:22168707

  2. Title: Near-UV behaviour of observed TNO reflectance spectra

    NASA Astrophysics Data System (ADS)

    Seccull, Tom; Fraser, Wesley Cristopher; Izawa, Matthew; Brown, Michael E.

    2016-10-01

    Observed spectra provide the best diagnostics of the surface compositions of Trans-Neptunian Objects (TNOs). We have observed the spectra of 7 TNOs, from across almost the full range of dynamical classes, using the VLT's X-Shooter spectrograph. Compared to the 5 targets in our sample which exhibit linear spectra in the UV-optical range, two of of our targets show highly unusual spectral behaviour, whereby their reflectance decreases sharply at wavelengths below ~440nm. Those same objects exhibit typically unremarkable spectra in the optical and near-IR spectral regions. In these regions where available, our observed spectra of the targets are in agreement with spectra or photometry available in the literature. Using a different solar analogue to produce our reflectance spectra does not remove the UV decrease exhibited by the two targets. Further, it appears that neither reducing the spectra with different pipelines, nor using drastically different parameters in those pipelines changes this general behaviour. Based on laboratory spectra of complex hydrocarbons it is plausible that the near-UV behaviour is the result of a surface coating of organic substances on the TNOs which exhibit it. The spectra of organics are also consistent in having a general red slope similar to that observed in the spectra of many TNOs. While laboratory spectra of some silicate substances also show a decrease in reflectance in the near-UV spectral region that is in principle consistent with our observations, those silicates do not exhibit a red slope consistent with our optical spectra. Hence, the hypothesis that silicates are present seems less likely than the hypothesis that this UV decrease is due to the presence of organics on the surfaces of these objects.

  3. Browsing a wealth of millimeter-wavelength doppler spectra data

    SciTech Connect

    Johnson,K.; Luke,E.; Kollias, P.; Remillard, J.; Widener, K.; Jensen, M.

    2010-03-15

    The ARM Climate Research Facility has collected an extensive archive of vertically pointing millimeter wavelength Doppler radar spectra at both 35 and 95 GHz. These data are a rich potential source of detailed microphysical and dynamical cloud and precipitation information. The recording of spectra, which is ongoing, began at the Southern Great Plains site in September of 2003, at the North Slope of Alaska site in April 2004, and at Tropical Western Pacific sites in 2006. Spectra are also being collected during ARM Mobile Facility deployments. The data’s temporal resolution is as high as two seconds, at height intervals of 45 to 90 m. However, the sheer volume of available data can be somewhat daunting to access and search for specific features of interest. Here we present a user interface for spectra browsing, which allows the user to view time-height images of radar moments, select a time or height of interest, and then “drill down” through images of spectrograms to individual Doppler spectra or time- and height-sequences of spectra. Also available are images summarizing spectral characteristics, such as number of spectral peaks, spectral shape information (skewness and kurtosis), moment uncertainty estimates, and hydrometeor vs. clutter identification as produced by the ARM MicroARSCL (Microphysical Active Remote Sensing of Clouds) value-added product. In addition to the access and visualization tools, we are developing a Doppler spectra simulator capable of generating Doppler spectra from liquid, mixed-phase, and solid cloud constituents and precipitation. The Doppler spectra simulator can be used as an interface between explicit microphysics models and Doppler spectra observations from the ARM radars. The plan is to ultimately make the spectra simulator available from within the spectra browser, allowing a user to associate observed spectra with the microphysical conditions capable of producing them.

  4. A Comparison of SIR-B Directional Ocean Wave Spectra with Aircraft Scanning Radar Spectra.

    PubMed

    Beal, R C; Monaldo, F M; Tilley, D G; Irvine, D E; Walsh, E J; Jackson, F C; Hancock, D W; Hines, D E; Swift, R N; Gonzalez, F L; Lyzenga, D R; Zambresky, L F

    1986-06-20

    Directional ocean wave spectra derived from Shuttle Imaging Radar-B (SIR-B) L-band imagery collected off the coast of southern Chile on 11 and 12 October 1984 were compared with independent spectral estimates from two airborne scanning radars. In sea states with significant wave heights ranging from 3 to 5 meters, the SIR-B-derived spectra at 18 degrees and 25 degrees off nadir yielded reasonable estimates of wavelengths, directions, and spectral shapes for all wave systems encountered, including a purely azimuth-traveling system. A SIR-B image intensity variance spectrum containing predominantly range-traveling waves closely resembles an independent aircraft estimate of the slope variance spectrum. The prediction of a U.S. Navy global spectral ocean wave model on 11 October 1984 exhibited no significant bias in dominant wave number but contained a directional bias of about 30 degrees espect to the mean of the aircraft and spacecraft estimates.

  5. A Comprehensive Investigation Into Modeling Supernovae Spectra

    NASA Astrophysics Data System (ADS)

    Hillier, Desmond

    Supernovae are a rich source of information. By studying their light curves and spectra we gain insights into stellar evolution, the nature of the progenitor star, surface abundances at the time of the explosion, whether previous mass-loss episodes have occurred, the physics of the explosion including the amount and type of elements synthesized, and whether the explosion has produced significant mixing between shells of different chemical composition. To maximize the information that can be gleaned from observations of supernovae it is essential that we have the necessary spectroscopic tools. To this end, we are developing a code, CMFGEN, capable of modeling supernova light curves and spectra. The code is currently being used, to study core-collapse supernovae as well as those arising from the nuclear detonation of a White Dwarf star. We wish to extend CMFGEN's capabilities by developing a procedure to handle non-monotonic velocity flows so that we can treat shock breakout and the interaction of supernova ejecta with circumstellar material. We will also investigate magnetar-powered SNe, and explore the connection between Type Ib and Type Ic supernovae and those supernovae associated with long-duration gamma-ray bursters. Through detailed studies of individual supernova, and through the construction of model grids, we are able to infer deficiencies in our modeling, in our atomic data, and in the progenitor models, and hence make refinements so that we can improve our understanding of all SNe classes. Previous (IUE), current (HST, Chandra, GALEX), and future NASA missions (James Webb Telescope) do/will provide a wealth of data on supernovae. The proposed research is related to strategic subgoal 3D: "Discover the origin, structure, evolution, and destiny of the universe, and search for Earth-like planets." Supernovae are inherently coupled to the evolution of the universe and life: They can trigger star formation and they provide the raw materials (e.g., oxygen

  6. Theoretical Raman spectra of carbonate minerals

    NASA Astrophysics Data System (ADS)

    Bobocioiu, E.; Caracas, R.

    2011-12-01

    The Raman spectra of the majority of MeCO3 minerals, with Me=alkali elements, calc-alkali elements or combinations thereof, are determined using density functional perturbation theory in the ABINIT implementation. We consider more than a dozen different minerals, most of them with rhombohedral, i.e. calcite-like, or orthorhombic, i.e. aragonite-like, structures [1]. We start with the experimental structure and perform two distinct structural relaxations: one at experimental density, i.e. experimental volume, and one at theoretical 0GPa pressure. During these structural relaxations we minimize the energy, the residual forces on the atoms and the non-hydrostatic stresses on the unit cell. Consequently in the end we obtain to distinct sets of data. We find that the relative intensities of the major Raman peaks are in good agreement with respect to experiment. The positions of the peaks are consistently shifted relative to the experiment. As a general rule, the best agreement between theory and experiment is obtained for the calcualtions performed at experimental density. We find that all spectra are dominated, as expected, by the stretching modes of the planar CO3 groups. Their theoretical frequency varies from as low as 1066 in paralstonite [BaCa(CO3)2] up to high as 1113 cm-1 in eitelite [Na2Mg(CO3)2]. The low-frequency modes are dominated by the heavy cations. Their degeneracy is directly determined by the symmetry of the structure. We performed a detailed comparative study to be able to identify identification trends. Finally we discuss C and O isotope fractionation patterns. We compute log(β) functions based on the vibrational information contained in the Brillouin zone center. Though not complete, this information is already enough to give us a reasonable estimation of the partitioning. Reference: Caracas, R., Bobocioiu, E. (2011) The WURM project - a freely available web-based repository of computed physical data for minerals, American Mineralogist, vol. 96

  7. Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

    NASA Astrophysics Data System (ADS)

    Cho, Herman

    2016-09-01

    Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3 / 2 , 5 / 2 , 7 / 2, and 9 / 2. These results are essential to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Applications of NQR methods to studies of electronic structure in heavy element systems are proposed.

  8. Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

    DOE PAGES

    Cho, Herman

    2016-02-28

    Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2,5/2,7/2, and 9/2. These results are essential to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Furthermore, applications of NQR methods to studies of electronic structure in heavy element systems are proposed.

  9. Model Atmospheres and X-Ray Spectra of Bursting Neutron Stars: Hydrogen-Helium Comptonized Spectra

    NASA Astrophysics Data System (ADS)

    Madej, J.; Joss, P. C.; Różańska, A.

    2004-02-01

    Compton scattering plays a crucial role in determining the structure of the atmosphere of an X-ray burster and its theoretical spectrum. Our paper presents a description of the plane-parallel model atmosphere of a very hot neutron star and its theoretical flux spectrum of outgoing radiation. Our model equations take into account all bound-free and free-free monochromatic opacities relevant to hydrogen-helium chemical composition and take into account the effects of Compton scattering of radiation in thermal plasma with fully relativistic thermal velocities. We use Compton scattering terms in the equation of transfer, which precisely describe photon-electron energy and momentum exchange for photons with initial energies exceeding the electron rest mass of 511 keV. Model atmosphere equations are solved with the variable Eddington factors technique. The grid of H-He model atmospheres and flux spectra is computed on a dense mesh of 107K<=Teff<=3×107K and a surface gravity of logg. In many cases, the assumed logg approached the critical gravity loggcr, i.e., the Eddington limit. We confirm that H-He spectra of X-ray bursters deviate from blackbody spectra and discuss their shapes. The table of color to effective temperature ratios shows that theoretical values of Tc/Teff do not exceed 1.9 in H-He atmospheres in hydrostatic and radiative equilibrium.

  10. [Raman spectra of fossil dinosaurs from different regions].

    PubMed

    Yang, Qun; Wang, Yi-lin

    2007-12-01

    Raman microscopic spectra in the higher wave number region were obtained from 7 fossil dinosaurs specimens from different regions. The specimens of fossil dinosaurs are different parts of bone. The Raman spectra of fossil dinosaurs indicate the high similarity among peak positions of different fossil dinosaurs; but important differences exist in the spectral peak figures. In the wave number region of 1000-1800 cm(-1) the Raman spectra of the same bone part fossils from different regions are very similar, example similarities between spectra of Lufeing backbone head and Yua nmou backbone head; Lufeng limb bone and Wuding limb bone. There are relations between the same bone part spectra of different fossil dinosaurs. The characteristic does not relate to regions. Raman spectra of fossil dinosaurs cannot be used to distinguish fossil source, although the part of bone can be used as an indicator to narrow the range of possible geographical origins.

  11. A novel computational method for comparing vibrational circular dichroism spectra.

    PubMed

    Shen, Jian; Zhu, Chengyue; Reiling, Stephan; Vaz, Roy

    2010-08-01

    A novel method, SimIR/VCD, for comparing experimental and calculated VCD (vibrational circular dichroism) spectra is developed, based on newly defined spectra similarities. With computationally optimized frequency scaling and shifting, a calculated spectrum can be easily identified to match an observed spectrum, which leads to an unbiased molecular chirality assignment. The time-consuming manual band-fitting work is greatly reduced. With (1S)-(-)-alpha-pinene as an example, it demonstrates that the calculated VCD similarity is correlated with VCD spectra matching quality and has enough sensitivity to identify variations in the spectra. The study also compares spectra calculated using different DFT methods and basis sets. Using this method should facilitate the spectra matching, reduce human error and provide a confidence measure in the chiral assignment using VCD spectroscopy.

  12. Simulation of dielectric spectra of erythrocytes with various shapes

    NASA Astrophysics Data System (ADS)

    Asami, Koji

    2009-07-01

    Dielectric spectra of erythrocyte suspensions were numerically simulated over a frequency range from 1 kHz to 100 MHz to study the effects of erythrocyte shape on the dielectric spectra. First, a biconcave-discoid model for normal erythrocytes or discocytes was compared with an equivalent oblate spheroid model. The two models showed similar dielectric spectra to each other, suggesting that the oblate spheroid model can be approximately used for discocytes. Second, dielectric spectra were simulated for discocytes deformed by osmotic cell swelling. The deformation resulted in the increase in relaxation intensity and the sharpening of spectrum shape. Finally, dielectric spectra were simulated for echinocytes, stomatocytes and sickle cells that are induced by chemical agents and diseases. The dielectric spectra of echinocytes and stomatocytes were similar to each other, being distinguishable from that of discocytes and quite different from that of sickle cells.

  13. Atomic lines in infrared spectra for ultracool dwarfs

    NASA Astrophysics Data System (ADS)

    Lyubchik, Y.; Jones, H. R. A.; Pavlenko, Y. V.; Viti, S.; Pickering, J. C.; Blackwell-Whitehead, R.

    2004-03-01

    We provide a set of atomic lines which are suitable for the description of ultracool dwarf spectra from 10 000 to 25 000 Å. This atomic linelist was made using both synthetic spectra calculations and existing atlases of infrared spectra of Arcturus and Sunspot umbra. We present plots which show the comparison of synthetic spectra and observed Arcturus and Sunspot umbral spectra for all atomic lines likely to be observable in high resolution infrared spectra. Figure 1 is only available in electronic form at http://www.edpsciences.org Tables 1 and 2 are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/416/655

  14. Quantifying in vivo MR spectra with circles

    NASA Astrophysics Data System (ADS)

    Gabr, Refaat E.; Ouwerkerk, Ronald; Bottomley, Paul A.

    2006-03-01

    Accurate and robust quantification of in vivo magnetic resonance spectroscopy (MRS) data is essential to its application in research and medicine. The performance of existing analysis methods is problematic for in vivo studies where low signal-to-noise ratio, overlapping peaks and intense artefacts are endemic. Here, a new frequency-domain technique for MRS data analysis is introduced wherein the circular trajectories which result when spectral peaks are projected onto the complex plane, are fitted with active circle models. The use of active contour strategies naturally allows incorporation of prior knowledge as constraint energy terms. The problem of phasing spectra is eliminated, and baseline artefacts are dealt with using active contours-snakes. The stability and accuracy of the new technique, CFIT, is compared with a standard time-domain fitting tool, using simulated 31P data with varying amounts of noise and 98 real human chest and heart 31P MRS data sets. The real data were also analyzed by our standard frequency-domain absorption-mode technique. On the real data, CFIT demonstrated the least fitting failures of all methods and an accuracy similar to the latter method, with both these techniques outperforming the time-domain approach. Contrasting results from simulations argue that performance relative to Cramer-Rao Bounds may not be a suitable indicator of fitting performance with typical in vivo data such as these. We conclude that CFIT is a stable, accurate alternative to the best existing methods of fitting in vivo data.

  15. Analysis of hyperfine structure in photoassociation spectra

    NASA Astrophysics Data System (ADS)

    Bergeman, T.

    2008-05-01

    The low Doppler width in photoassociation spectra from cold atoms makes hyperfine structure clearly visible, especially with heavier alkali atoms. Recently the focus has been on photoassociation to weakly bound dimers [1,2]. However there are also useful data on somewhat more deeply bound levels [2] for which a different coupling scheme is appropriate. Following [3], we use a F = J + I representation, and develop a transformation between this and the usual case e representation which applies at asymptotically large internuclear distance. We hope to model and assign hyperfine structure in φ = 1 states, using appropriate ground and excited state wavefunctions. To obtain eigenvalues from very large DVR matrices, we use a ``stepwise diagonalization'' procedure, which appears to be more efficient than standard sparse matrix methods. [1] E. Tiesinga et al. PRA 71, 052703 (2005); K. M. Jones et al, RMP 78, 483 (2006). [2] Data on Rb2 from J. Qi, D. Wang, Y. Huang, H. Pechkis, E. Eyler, P. Gould, W. C. Stwalley, C. C. Tsai and D.J. Heinzen; Data on RbCs from A. J. Kerman, J. M. Sage, S. Sainis and D. DeMille. [3] B. Gao, PRA 54, 2022 (1996).

  16. Pentacene Derivatives: Electronic Structure and Spectra

    NASA Astrophysics Data System (ADS)

    Netusil, Ross; Ilie, Carolina; Kane, Thorin; Damkaci, Fehmi

    2013-03-01

    The variation in composition and structure of the substituent groups of pentacene compounds promises a broad range of electronic structures and behaviors and provides a vast and alluring field of inquiry with avenues of exploration. These include the development of synthetic schema, the process of design for novel derivatives and, in order to identify those hypothesized compounds which demonstrate the desired behavior, the identification and refinement of computational tools that make accurate predictions about the electronic behavior of theoretical compounds. Two computational techniques and six pentacene derivatives are here examined. One technique was used to predict the vibrational spectra of the compounds, in order to both acquire data about the optical conductivity of the compounds and to establish a pool of theoretical data against which experimental data will be compared. The molecular orbital energy level diagram of the same six compounds was derived using a second approach, with the same goals of discerning between valid and invalid predictive schema by comparison with pending experimental data and between hypothesized compounds which show promise and those which present little potential for use in organic semiconductor technology.

  17. Extracting Quantitative Data from Lunar Soil Spectra

    NASA Technical Reports Server (NTRS)

    Noble, S. K.; Pieters, C. M.; Hiroi, T.

    2005-01-01

    Using the modified Gaussian model (MGM) developed by Sunshine et al. [1] we compared the spectral properties of the Lunar Soil Characterization Consortium (LSCC) suite of lunar soils [2,3] with their petrologic and chemical compositions to obtain quantitative data. Our initial work on Apollo 17 soils [4] suggested that useful compositional data could be elicited from high quality soil spectra. We are now able to expand upon those results with the full suite of LSCC soils that allows us to explore a much wider range of compositions and maturity states. The model is shown to be sensitive to pyroxene abundance and can evaluate the relative portion of high-Ca and low-Ca pyroxenes in the soils. In addition, the dataset has provided unexpected insights into the nature and causes of absorption bands in lunar soils. For example, it was found that two distinct absorption bands are required in the 1.2 m region of the spectrum. Neither of these bands can be attributed to plagioclase or agglutinates, but both appear to be largely due to pyroxene.

  18. AIS spectra of desert shrub canopies

    NASA Technical Reports Server (NTRS)

    Murray, R.; Isaacson, D. L.; Schrumpf, B. J.; Ripple, W. J.; Lewis, A. J.

    1986-01-01

    Airborne Imaging Spectrometer (AIS) data were collected 30 August 1985 from a desert shrub community in central Oregon. Spectra from artificial targets placed on the test site and from bare soil, big sagebrush (Artemesia tridentata wyomingensis), silver sagebrush (Artemesia cana bolander), and exposed volcanic rocks were studied. Spectral data from grating position 3 (tree mode) were selected from 25 ground positions for analysis by Principal Factor Analysis (PFA). In this grating position, as many as six factors were identified as significant in contributing to spectral structure. Channels 74 through 84 (tree mode) best characterized between-class differences. Other channels were identified as nondiscriminating and as associated with such errors as excessive atmospheric absorption and grating positin changes. The test site was relatively simple with the two species (A. tridentata and A. cana) representing nearly 95% of biomass and with only two mineral backgrounds, a montmorillonitic soil and volcanic rocks. If, as in this study, six factors of spectral structure can be extracted from a single grating position from data acquired over a simple vegetation community, then AIS data must be considered rich in information-gathering potential.

  19. The Theory of Exoplanet Atmospheres and Spectra

    NASA Astrophysics Data System (ADS)

    Burrows, Adam S.

    2008-09-01

    Approximately 300 exoplanets, mostly giant planets (EGPs) in the Jovian mass range, have been detected orbiting stars in the solar neighborhood. More than 15% of them are transiting their primaries and these have collectively yielded a wealth of structural and physical information which theorists are scrambling to interpret. In this talk. I will present the current theory of the their atmospheres, compositions, and spectra. Due to stellar irradiation effects and heat redistribution by super-rotational jet streams, we must eventually construct with some fidelity 3D general circulation models (GCMs), with multi-D radiative transfer. However, simpler planar models with average irradiation boundary conditions and crude day-night heat transport algorithms do a reasonable 1st-order job of reproducing what is observed directly by the Spitzer infrared space telescope. In particular, thermal inversions and stratospheres are inferred for many close-in EGPs. I will discuss the confrontation of theory with data and summarize what has been learned to date.

  20. Inflationary power spectra with quantum holonomy corrections

    SciTech Connect

    Mielczarek, Jakub

    2014-03-01

    In this paper we study slow-roll inflation with holonomy corrections from loop quantum cosmology. It was previously shown that, in the Planck epoch, these corrections lead to such effects as singularity avoidance, metric signature change and a state of silence. Here, we consider holonomy corrections affecting the phase of cosmic inflation, which takes place away from the Planck epoch. Both tensor and scalar power spectra of primordial inflationary perturbations are computed up to the first order in slow-roll parameters and V/ρ{sub c}, where V is a potential of the scalar field and ρ{sub c} is a critical energy density (expected to be of the order of the Planck energy density). Possible normalizations of modes at short scales are discussed. In case the normalization is performed with use of the Wronskian condition applied to adiabatic vacuum, the tensor and scalar spectral indices are not quantum corrected in the leading order. However, by choosing an alternative method of normalization one can obtain quantum corrections in the leading order. Furthermore, we show that the holonomy-corrected equations of motion for tensor and scalar modes can be derived based on effective background metrics. This allows us to show that the classical Wronskian normalization condition is well defined for the cosmological perturbations with holonomy corrections.