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Sample records for nuclear-quadruple-resonance nqr study

  1. 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.

  2. NQR studies on 2,5-dichlorophenol

    NASA Astrophysics Data System (ADS)

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

    1990-11-01

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

  3. 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.

  4. 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.

  5. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1987-10-01

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

  7. 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. PMID:24581866

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

    PubMed

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

    2012-03-01

    DFT computations were carried out to characterize the (17)Oand (2)H electric field gradient, EFG, in various bisphosphonate derivatives. The computations were performed at the B3LYP level with 6-311++G (d,P) standard basis set. Calculated EFG tensors were used to determine the (17)O and (2)H nuclear quadrupole coupling constant, χ and asymmetry parameter, η. For better understanding of the bonding and electronic structure of bisphosphonates, isotropic and anisotropic NMR chemical shieldings were calculated for the (13)C, (17)O and (31)P nuclei using GIAO method for the optimized structure of intermediate bisphosphonates at B3LYP level of theory using 6-311++G (d, p) basis set. The results showed that various substituents have a strong effect on the nuclear quadrupole resonance (NQR) parameters (χ, η) of (17)O in contrast with (2)H NQR parameters. The NMR and NQR parameters were studied in order to find the correlation between electronic structure and the activity of the desired bisphosphonates. In addition, the effect of substitutions on the bisphosphonates polarity was investigated. Molecular polarity was determined via the DFT calculated dipole moment vectors and the results showed that substitution of bromine atom on the ring would increase the activity of bisphosphonates. PMID:21633790

  9. 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.

  10. 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

  11. 35C NQR studies in 2,4,6-,2,3,6-, and 2,3,4-trichloro anisoles

    NASA Astrophysics Data System (ADS)

    Rukmani, K.; Ramakrishna, J.

    1985-02-01

    The chlorine-35 NQR frequencies and their temperature variation in 2,4,6-, 2,3,6- and 2,3,4-trichloro anisoles have been studied and compared with the corresponding chlorophenols with a view to studying the effect of hydrogen bonding. The observed frequencies have been assigned to the various chlorines with the help of the additive model of the substituent effect. The temperature dependence has been analysed in terms of the Bayer—Kushida—Brown models. The torsional frequencies and their temperature dependence have been calculated numerically under a two mode approximation. A comparison of the trichloro anisoles with the corresponding trichloro phenols has shown that the resonance frequency decreases due to hydrogen bonding while the torsional frequencies are not affected.

  12. 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.

  13. Studies of Ga NMR and NQR in SrGa4

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

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

  14. 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.

  15. Ferromagnetic Quantum Critical Fluctuations and Anomalous Coexistence of Ferromagnetism and Superconductivity in UCoGe Revealed by Co-NMR and NQR Studies

    NASA Astrophysics Data System (ADS)

    Ohta, Tetsuya; Nakai, Yusuke; Ihara, Yoshihiko; Ishida, Kenji; Deguchi, Kazuhiko; Sato, Noriaki K.; Satoh, Isamu

    2008-02-01

    Co nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) studies were carried out for the recently discovered UCoGe, in which the ferromagnetic and superconducting (SC) transitions are reported to occur at TCurie˜ 3 K and TS˜ 0.8 K [Huy et al.: Phys. Rev. Lett. 99 (2007) 067006], in order to investigate the coexistence of ferromagnetism and superconductivity as well as the normal-state and SC properties from a microscopic point of view. From the nuclear spin-lattice relaxation rate 1/T1 and Knight-shift measurements, we confirm that ferromagnetic fluctuations that possess a quantum critical character are present above TCurie and also the occurrence of a ferromagnetic transition at 2.5 K in our polycrystalline sample. The magnetic fluctuations in the normal state show that UCoGe is an itinerant ferromagnet similar to ZrZn2 and YCo2. The onset SC transition is identified at TS˜ 0.7 K, below which 1/T1 arising from 30% of the volume fraction starts to decrease due to the opening of the SC gap. This component of 1/T1, which follows a T3 dependence in the temperature range 0.3-0.1 K, coexists with the magnetic components of 1/T1 showing a \\sqrt{T} dependence below TS. From the NQR measurements in the SC state, we suggest that the self-induced vortex state is realized in UCoGe.

  16. Temperature variation of ultralow frequency modes and mean square displacements in solid lasamide (diuretic drug) studied by 35Cl-NQR, X-ray and DFT/QTAIM.

    PubMed

    Latosińska, Jolanta Natalia; Latosińska, Magdalena; Kasprzak, Jerzy; Tomczak, Magdalena; Maurin, Jan Krzysztof

    2012-10-25

    The application of combined (35)Cl-NQR/X-ray/DFT/QTAIM methods to study the temperature variation of anisotropic displacement parameters and ultralow frequency modes of anharmonic torsional vibrations in the solid state is illustrated on the example of 2,4-dichloro-5-sulfamolybenzoic acid (lasamide, DSBA) which is a diuretic and an intermediate in the synthesis of furosemide and thus its common impurity. The crystallographic structure of lasamide is solved by X-ray diffraction and refined to a final R-factor of 3.06% at room temperature. Lasamide is found to crystallize in the triclinic space group P-1, with two equivalent molecules in the unit cell a = 7.5984(3) Å, b = 8.3158(3) Å, c = 8.6892(3) Å; α = 81.212(3)°, β = 73.799(3)°, γ = 67.599(3)°. Its molecules form symmetric dimers linked by two short and linear intermolecular hydrogen bonds O-H···O (O-H···O = 2.648 Å and ∠OHO = 171.5°), which are further linked by weaker and longer intermolecular hydrogen bonds N-H···O (N-H···O = 2.965 Å and ∠NHO = 166.4°). Two (35)Cl-NQR resonance frequencies, 36.899 and 37.129 MHz, revealed at room temperature are assigned to chlorine sites at the ortho and para positions, relative to the carboxyl functional group, respectively. The difference in C-Cl(1) and C-Cl(2) bond lengths only slightly affects the value of (35)Cl-NQR frequencies, which results mainly from chemical inequivalence of chlorine atoms but also involvement in different intermolecular interactions pattern. The smooth decrease in both (35)Cl-NQR frequencies with increasing temperature in the range of 77-300 K testifies to the averaging of EFG tensor at each chlorine site due to anharmonic torsional vibrations. Lasamide is thermally stable; no temperature-induced release of chlorine or decomposition of this compound is detected. The temperature dependence of ultralow frequency modes of anharmonic small-angle internal torsional vibrations averaging EFG tensor and mean square angle

  17. NQR-NMR studies of higher alcohol synthesis Cu-Co catalysts

    SciTech Connect

    Not Available

    1991-12-17

    Our previous studies (1,2) on the zerofield NMR spectra of Cu/Co catalysts revealed that the method of preparation sensitively influences the magnetic character of the Catalyst. Catalytic studies of the earlier investigators also (3) show similar influence on the product selectivity and indicate reproducible performance is critically dependent on the control and rigor of the preparation technique. To compliment the NMR results, we have made a thorough investigation of the Hysteresis character of the Cu/Co catalysts with the metal ratio varying from 0.2 to 4.0.

  18. NQR-NMR studies of higher alcohol synthesis Cu-Co catalysts

    SciTech Connect

    Not Available

    1991-12-17

    The primary objective of the project is to examine the relations between the catalytic and magnetic properties of the copper-cobalt higher alcohol synthesis catalysts. We have undertaken to investigate the magnetic character by studying the Nuclear Quadrupole resonance of copper and (Zerofield) Nuclear Magnetic Resonance of cobalt in copper cobalt catalysts.

  19. Sb-NQR study on novel superconductivity in (Pr 1-xLa x)Os 4Sb 12

    NASA Astrophysics Data System (ADS)

    Nagai, Takayuki; Yogi, Mamoru; Imamura, Yoju; Mukuda, Hidekazu; Kitaoka, Yoshio; Kikuchi, Daisuke; Sugawara, Hitoshi; Sato, Hideyuki

    2007-03-01

    We report on superconducting (SC) properties in a series of filled-skutterudite compounds (Pr 1-xLa x)Os 4Sb 12 through the Sb nuclear-quadrupole-resonance (NQR). In the SC state, the nuclear spin-lattice relaxation rate 1/ T1Pr at Pr-cage decreases exponentially with no coherence peak below TC, consistent with the results for the pure PrOs 4Sb 12. In the Pr-rich compounds of x=0.05 and 0.2, the residual density of states (RDOS) at the Fermi level are induced below TC due to the La substitution. It is concluded that the RDOS is not due to the impurity effect that used to be observed in unconventional superconductors with line-node gap. Rather, a part of the Fermi surface that contributes to 5.5% of the total is suggested to become gapless for x=0.05 and 0.2, yielding the RDOS. For the La-rich compounds of x=0.4, 0.8 and 1, as the Pr-substitution for La increases, TC increases and a size of energy gap increases. The Pr-substitution for La makes the pairing interaction for forming the Cooper pairs strong and causes an anisotropy in its energy-gap structure.

  20. 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.

  1. NQR in tert-butyl chloride

    NASA Astrophysics Data System (ADS)

    Brunetti, Aldo H.

    2004-03-01

    Tert-butyl chloride has been broadly studied experimentally through various techniques such as X-ray crystallography, DTA, and NMR. It was also studied experimentally through nuclear quadrupole resonance (NQR), but this study was limited and incomplete. In this paper, we present a more detailed study of TBC through the NQR of 35Cl. Our results show that near 120 K, the onset of the CH 3 groups semirotations around symmetry axis C3 takes place with an activation energy U=16.1 kJ mol -1. This intramolecular movement produces a T1 minimum near 148 K and is the dominant mechanism of the nuclear spin-lattice relaxation in phase III of this compound. In phase II of TBC, we show that there are not only methyl groups semirotations, but also semirotations of the whole molecule around a different axis from the symmetry axis C' 3 (C-Cl bond) with an activation energy of E=10.4 kJ mol -1.

  2. /sup 127/I NQR spectra of carborane-containing compounds of polycoordinated iodine

    SciTech Connect

    Semin, G.K.; Grushin, V.V.; Gushchin, S.I.; Lisichkina, I.N.; Petokhov, S.A.; Tolstaya, T.P.

    1985-05-20

    The NQR spectra of polycoordinated iodine compounds is studied. A table presents the I 127 NQR spectra of electroneutral PhIC1/sub 2/ derivatives with intermolecular coordination in the solid state and ionic compounds including compounds with interionic coordination. A considerable increase in the quadrupole coupling constants and significant decrease in the asymmetry parameter is found in carborane-containing CBIC1/sub 2/ and PhCBIX compounds in comparison with the corresponding phenyl and diphenyl derivatives.

  3. FPGA based pulsed NQR spectrometer

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

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

  4. 63Cu NQR in copper (II) compounds

    NASA Astrophysics Data System (ADS)

    Bastow, T. J.; Campbell, I. D.; Whitfield, H. J.

    1980-01-01

    We report observations of 63Cu NQR in CuF 2, KCuF 3, and RbCuF 3 in the paramagnetic state, NQR line widths of 63Cu in CuF 2 and CuBr 2 and of 81Br in CuBr 2, SnBr 2 and ZnBr 2. The NQR resonances of certain Cu (II) paramagnetic compounds are exchange-narrowed to values commensurate with linewidths of the diamagnetic infinite-lattice compounds.

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

    PubMed

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

    1998-03-01

    The dc Superconducting QUantum Interference Device (SQUID) is a sensitive detector of magnetic flux, with a typical flux noise of the order 1 muphi0 Hz(-1/2) at liquid helium temperatures. Here phi0 = h/2e is the flux quantum. In our NMR or NQR spectrometer, a niobium wire coil wrapped around the sample is coupled to a thin film superconducting coil deposited on the SQUID to form a flux transformer. With this untuned input circuit the SQUID measures the flux, rather than the rate of change of flux, and thus retains its high sensitivity down to arbitrarily low frequencies. This feature is exploited in a cw spectrometer that monitors the change in the static magnetization of a sample induced by radio frequency irradiation. Examples of this technique are the detection of NQR in 27Al in sapphire and 11B in boron nitride, and a level crossing technique to enhance the signal of 14N in peptides. Research is now focused on a SQUID-based spectrometer for pulsed NQR and NMR, which has a bandwidth of 0-5 MHz. This spectrometer is used with spin-echo techniques to measure the NQR longitudinal and transverse relaxation times of 14N in NH4ClO4, 63+/-6 ms and 22+/-2 ms, respectively. With the aid of two-frequency pulses to excite the 359 kHz and 714 kHz resonances in ruby simultaneously, it is possible to obtain a two-dimensional NQR spectrum. As a third example, the pulsed spectrometer is used to study NMR spectrum of 129Xe after polariza-tion with optically pumped Rb. The NMR line can be detected at frequencies as low as 200 Hz. At fields below about 2 mT the longitudinal relaxation time saturates at about 2000 s. Two recent experiments in other laboratories have extended these pulsed NMR techniques to higher temperatures and smaller samples. In the first, images were obtained of mineral oil floating on water at room temperature. In the second, a SQUID configured as a thin film gradiometer was used to detect NMR in a 50 microm particle of 195Pt at 6 mT and 4.2 K. PMID:9650797

  6. 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. PMID:22588584

  7. Anisotropic pairing in superconducting Sr{sub 2}RuO{sub 4}: Ru NMR and NQR studies

    SciTech Connect

    Ishida, K.; Kitaoka, Y.; Asayama, K.; Ikeda, S.; Nishizaki, S.; Maeno, Y.; Yoshida, K.; Fujita, T.

    1997-07-01

    Ru NMR and nuclear quadrupole resonance studies are reported on single-crystal Sr{sub 2}RuO{sub 4} (T{sub c}=0.7 K) with the same layered perovskite structure as La{sub 2}CuO{sub 4}. The Pauli spin susceptibility deduced from the Ru Knight shift is found to be largely enhanced by a factor of {approximately}5.4 as compared with the value from the band calculation. In the superconducting state, the nuclear spin-lattice relaxation rate 1/T{sub 1} exhibits a sharp decrease with no coherence peak just below T{sub c} and the T{sub 1}T=constant behavior well below T{sub c}, suggesting that the anisotropic pairing state is realized as in heavy-fermion and high-T{sub c} superconductors. {copyright} {ital 1997} {ital The American Physical Society}

  8. 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.

  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. PMID:25233110

  10. 35Cl NQR frequency and spin lattice relaxation time in 3,4-dichlorophenol as a function of pressure and temperature.

    PubMed

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

    2013-01-01

    The pressure dependences of (35)Cl nuclear quadrupole resonance (NQR) frequency, temperature and pressure variation of spin lattice relaxation time (T(1)) were investigated in 3,4-dichlorophenol. T(1) was measured in the temperature range 77-300 K. Furthermore, the NQR frequency and T(1) for these compounds were measured as a function of pressure up to 5 kbar at 300 K. The temperature dependence of the average torsional lifetimes of the molecules and the transition probabilities W(1) and W(2) for the Δm = ±1 and Δm = ±2 transitions were also obtained. A nonlinear variation of NQR frequency with pressure has been observed and the pressure coefficients were observed to be positive. A thermodynamic analysis of the data was carried out to determine the constant volume temperature coefficients of the NQR frequency. An attempt is made to compare the torsional frequencies evaluated from NQR data with those obtained by IR spectra. On selecting the appropriate mode from IR spectra, a good agreement with torsional frequency obtained from NQR data is observed. The previously mentioned approach is a good illustration of the supplementary nature of the data from IR studies, in relation to NQR studies of compounds in solid state. PMID:23161529

  11. 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

  12. Nanoscale NMR and NQR with Nitrogen Vacancy Centers

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. Site-directed mutagenesis of conserved cysteine residues in NqrD and NqrE subunits of Na+-translocating NADH:quinone oxidoreductase.

    PubMed

    Fadeeva, M S; Bertsova, Y V; Verkhovsky, M I; Bogachev, A V

    2008-02-01

    Each of two hydrophobic subunits of Na+-translocating NADH:quinone oxidoreductase (NQR), NqrD and NqrE, contain a pair of strictly conserved cysteine residues within their transmembrane alpha-helices. Site-directed mutagenesis showed that substitutions of these residues in NQR of Vibrio harveyi blocked the Na+-dependent and 2-n-heptyl-4-hydroxyquinoline N-oxide-sensitive quinone reductase activity of the enzyme. However, these mutations did not affect the interaction of NQR with NADH and menadione. It was demonstrated that these conserved cysteine residues are necessary for the correct folding and/or the stability of the NQR complex. Mass and EPR spectroscopy showed that NQR from V. harveyi bears only a 2Fe-2S cluster as a metal-containing prosthetic group. PMID:18298367

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

    PubMed

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

    2015-01-01

    Na+-translocating NADH:quinone oxidoreductase (NQR) is a redox-driven sodium pump operating in the respiratory chain of various bacteria, including pathogenic species. The enzyme has a unique set of redox active prosthetic groups, which includes two covalently bound flavin mononucleotide (FMN) residues attached to threonine residues in subunits NqrB and NqrC. The reason of FMN covalent bonding in the subunits has not been established yet. In the current work, binding of free FMN to the apo-form of NqrC from Vibrio harveyi was studied showing very low affinity of NqrC to FMN in the absence of its covalent bonding. To study structural aspects of flavin binding in NqrC, its holo-form was crystallized and its 3D structure was solved at 1.56 Å resolution. It was found that the isoalloxazine moiety of the FMN residue is buried in a hydrophobic cavity and that its pyrimidine ring is squeezed between hydrophobic amino acid residues while its benzene ring is extended from the protein surroundings. This structure of the flavin-binding pocket appears to provide flexibility of the benzene ring, which can help the FMN residue to take the bended conformation and thus to stabilize the one-electron reduced form of the prosthetic group. These properties may also lead to relatively weak noncovalent binding of the flavin. This fact along with periplasmic location of the FMN-binding domains in the vast majority of NqrC-like proteins may explain the necessity of the covalent bonding of this prosthetic group to prevent its loss to the external medium. PMID:25734798

  19. 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

  20. (121,123)Sb and (75)As NMR and NQR investigation of the tetrahedrite (Cu12Sb4S13)--Tennantite (Cu12As4S13) system and other metal arsenides.

    PubMed

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

    2015-10-01

    This work is motivated by the recent developments in online minerals analysis in the mining and minerals processing industry via nuclear quadrupole resonance (NQR). Here we describe a nuclear magnetic resonance (NMR) and NQR study of the minerals tennantite (Cu12As4S13) and tetrahedrite (Cu12 Sb4S13). In the first part NQR lines associated with (75)As in tennantite and (121,123)Sb isotopes in tetrahedrite are reported. The spectroscopy has been restricted to an ambient temperature studies in accord with typical industrial conditions. The second part of this contribution reports nuclear quadrupole-perturbed NMR findings on further, only partially characterised, metal arsenides. The findings enhance the detection capabilities of NQR based analysers for online measurement applications and may aid to control arsenic and antimony concentrations in metal processing stages. PMID:26453410

  1. Bonding and molecular motions in the 1:1 molecular complexes of 1,4-diazabicyclo[2.2.2]octane with tetrahalomethane as studied by means of NQR

    NASA Astrophysics Data System (ADS)

    Okuda, T.; Suzuki, T.; Negita, H.

    1983-12-01

    NQR spectra were observed in the complexes of 1,4-diazabicyclo[2.2.2]octane (DABCO) with tetrachloromethane and tetrabromomethane at various temperatures. A phase transition was found at 319 K for DABCO·CBr 4. From spin-lattice relaxation times of nitrogen-14 in DABCO·CBr 4, the activation energy of the reorientation of DABCO about the NN axis was calculated to be 18.3 kJ/mol which agrees with the value obtained from the second moment of proton NMR spectra. The bond nature is discussed using the Townes-Dailey treatment.

  2. NQR-NMR studies of higher alcohol synthesis Cu-Co catalysts. Quarterly technical progress report, June 15--September 15, 1991

    SciTech Connect

    Not Available

    1991-12-17

    Our previous studies (1,2) on the zerofield NMR spectra of Cu/Co catalysts revealed that the method of preparation sensitively influences the magnetic character of the Catalyst. Catalytic studies of the earlier investigators also (3) show similar influence on the product selectivity and indicate reproducible performance is critically dependent on the control and rigor of the preparation technique. To compliment the NMR results, we have made a thorough investigation of the Hysteresis character of the Cu/Co catalysts with the metal ratio varying from 0.2 to 4.0.

  3. NQR-NMR studies of higher alcohol synthesis Cu-Co catalysts. Quarterly technical progress report, June 15--September 15, 1991

    SciTech Connect

    Not Available

    1991-12-17

    The primary objective of the project is to examine the relations between the catalytic and magnetic properties of the copper-cobalt higher alcohol synthesis catalysts. We have undertaken to investigate the magnetic character by studying the Nuclear Quadrupole resonance of copper and (Zerofield) Nuclear Magnetic Resonance of cobalt in copper cobalt catalysts.

  4. 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

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

    PubMed

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

    2012-10-01

    The Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) is the prototype of a novel class of flavoproteins carrying a riboflavin phosphate bound to serine or threonine by a phosphodiester bond to the ribityl side chain. This membrane-bound, respiratory complex also contains one non-covalently bound FAD, one non-covalently bound riboflavin, ubiquinone-8 and a [2Fe-2S] cluster. Here, we report the quantitative analysis of the full set of flavin cofactors in the Na(+)-NQR and characterize the mode of linkage of the riboflavin phosphate to the membrane-bound NqrB and NqrC subunits. Release of the flavin by β-elimination and analysis of the cofactor demonstrates that the phosphate group is attached at the 5'-position of the ribityl as in authentic FMN and that the Na(+)-NQR contains approximately 1.7mol covalently bound FMN per mol non-covalently bound FAD. Therefore, each of the single NqrB and NqrC subunits in the Na(+)-NQR carries a single FMN. Elimination of the phosphodiester bond yields a dehydro-2-aminobutyrate residue, which is modified with β-mercaptoethanol by Michael addition. Proteolytic digestion followed by mass determination of peptide fragments reveals exclusive modification of threonine residues, which carry FMN in the native enzyme. The described reactions allow quantification and localization of the covalently attached FMNs in the Na(+)-NQR and in related proteins belonging to the Rhodobacter nitrogen fixation (RNF) family of enzymes. This article is part of a Special Issue entitled: 17th European Bioenergetics Conference (EBEC 2012). PMID:22366169

  6. Pulsed Spin Locking in Spin-1 NQR: Broadening Mechanisms

    NASA Astrophysics Data System (ADS)

    Malone, Michael W.

    Nuclear Quadrupole Resonance (NQR) is a branch of magnetic resonance physics that allows for the detection of spin I > 1/2 nuclei in crystalline and semi-crystalline materials. Through the application of a resonant radio frequency (rf) pulse, the nuclei's response is to create an oscillating magnetic moment at a frequency unique to the target substance. This creates the NQR signal, which is typically weak and rapidly decaying. The decay is due to the various line broadening mechanisms, the relative strengths of which are functions of the specific material, in addition to thermal relaxation processes. Through the application of a series of rf pulses the broadening mechanisms can be refocused, narrowing the linewidth and extending the signal in time. Three line broadening mechanisms are investigated to explain the NQR signal's linewidth and behavior. The first, electric field gradient (EFG) inhomogeneity, is due to variations in the local electric environment among the target nuclei, for instance from crystal imperfections. While EFG inhomogeneity can vary between samples of the same chemical composition and structure, the other broadening mechanisms of homonuclear and heteronuclear dipolar coupling are specific to this composition and structure. Simple analytical models are developed that explain the NQR signal response to pulse sequences by accounting for the behavior of each broadening mechanism. After a general theoretical introduction, a model of pairs of spin-1 nuclei is investigated, and the refocusing behaviors of EFG and homonuclear dipolar coupling are analyzed. This reveals the conditions where EFG is refocused but homonuclear dipolar coupling is not. In this case the resulting signal shows a rapid decay, the rate of which becomes a measure of interatomic distances. This occurs even in the more complex case of a powder sample with its many randomly oriented crystallites, under particular pulsing conditions. Many target NQR compounds are rich in hydrogen

  7. 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.

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

    PubMed

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

    2015-10-01

    Multiple pulse sequences are widely used for signal enhancement in NQR detection applications. Since the various (14)N NQR relaxation times, signal decay times and frequency of each NQR line have a major influence on detection sequence performance, it is important to characterise these parameters and their temperature variation, as fully as possible. In this paper we discuss such measurements for a number of the ν+ and ν- NQR lines of monoclinic and orthorhombic TNT and relate the temperature variation results to molecular dynamics. The temperature variation of the (14)N spin-lattice relaxation times T1 is interpreted as due to hindered rotation of the NO2 group about the C-NO2 bond with an activation energy of 89 kJ mol(-1) for the ortho and para groups of monoclinic TNT and 70 kJ mol(-1) for the para group of orthorhombic TNT. PMID:26440130

  9. Localization and Function of the Membrane-bound Riboflavin in the Na+-translocating NADH:Quinone Oxidoreductase (Na+-NQR) from Vibrio cholerae*

    PubMed Central

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

    2010-01-01

    The sodium ion-translocating NADH:quinone oxidoreductase (Na+-NQR) from the human pathogen Vibrio cholerae is a respiratory membrane protein complex that couples the oxidation of NADH to the transport of Na+ across the bacterial membrane. The Na+-NQR comprises the six subunits NqrABCDEF, but the stoichiometry and arrangement of these subunits are unknown. Redox-active cofactors are FAD and a 2Fe-2S cluster on NqrF, covalently attached FMNs on NqrB and NqrC, and riboflavin and ubiquinone-8 with unknown localization in the complex. By analyzing the cofactor content and NADH oxidation activity of subcomplexes of the Na+-NQR lacking individual subunits, the riboflavin cofactor was unequivocally assigned to the membrane-bound NqrB subunit. Quantitative analysis of the N-terminal amino acids of the holo-complex revealed that NqrB is present in a single copy in the holo-complex. It is concluded that the hydrophobic NqrB harbors one riboflavin in addition to its covalently attached FMN. The catalytic role of two flavins in subunit NqrB during the reduction of ubiquinone to ubiquinol by the Na+-NQR is discussed. PMID:20558724

  10. Potential Antiferromagnetic Fluctuations in Hole-Doped Iron-Pnictide Superconductor Ba1-xKxFe2As2 Studied by 75As Nuclear Magnetic Resonance Measurement0.1143/JPSJ.81.054704

    SciTech Connect

    Hirano, Masanori; Yamada, Yuji; Saito, Taku; Nagashima, Ryo; Konishi, Takehisa; Toriyama, Tatsuya; Ohta, Yukinori; Fukazawa, Hideto; Kohori, Yoh; Furukawa, Yuji; Kihou, Kunihiro; Lee, Chul-Ho; Eisaki, Hiroshi

    2012-04-12

    We have performed 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements on single-crystalline Ba1-xKxFe2As2 for x = 0.27–1. 75As nuclear quadruple resonance frequency (νQ) increases linearly with increasing x. The Knight shift K in the normal state shows Pauli paramagnetic behavior with a weak temperature T dependence. K increases gradually with increasing x. By contrast, the nuclear spin–lattice relaxation rate 1/T1 in the normal state has a strong T dependence, which indicates the existence of large antiferomagnetic (AF) spin fluctuations for all x's. The T dependence of 1/T1 shows a gaplike behavior below approximately 100 K for 0.6 < x < 0.9. This behaviors is well explained by the change in the band structure with the expansion of hole Fermi surfaces and the shrinkage and disappearance of electron Fermi surfaces at the Brillouin zone (BZ) with increasing x. The anisotropy of 1/T1, represented by the ratio of 1/T1ab to 1/T1c, is always larger than 1 for all x's, which indicates that stripe-type AF fluctuations are dominant in this system. The K in the superconducting (SC) state decreases, which corresponds to the appearance of spin-singlet superconductivity. The T dependence of 1/T1 in the SC state indicates a multiple-SC-gap feature. A simple two-gap model analysis shows that the larger superconducting gap gradually decreases with increasing x from 0.27 to 1 and a smaller gap decreases rapidly and nearly vanishes for x > 0.6 where electron pockets in BZ disappear.

  11. Studies of Structure and Phase Transition in [C(NH2)3]HgBr3 and [C(NH2)3]HgI3 by Means of Halogen NQR, 1H NMR, and Single Crystal X-Ray Diffraction

    NASA Astrophysics Data System (ADS)

    Terao, Hiromitsu; Hashimoto, Masao; Hashimoto, Shinichi; Furukawa, Yoshihiro

    2000-02-01

    The crystal structure of [C(NH2)3]HgBr3 was determined at room temperature: monoclinic, space group C2/c, Z = 4, a = 775.0(2), b = 1564.6(2), c = 772.7(2) pm, β = 109.12(2)°. In the crystal, almost planar HgBr3- ions are connected via Hg ··· Br bonds, resulting in single chains of trigonal bipyramidal HgBr5 units which run along the c direction. [C(NH2)3]HgI3 was found to be isomorphous with the bromide at room temperature. The temperature dependence of the halogen NQR frequencies (77 < 77K < ca. 380) and the DTA measurements evidenced no phase transition for the bromide, but a second-order phase transition at (251 ± 1) K (Tc1) and a first-order one at (210 ± 1) K for the iodide. The transitions at Tc2are accompanied with strong supercooling and significant superheating. The room temperature phase (RTP) and the intermediate temperature phase (ITP) of the iodide are characterized by two 127I(m=1/2↔3/2) NQR lines which are assigned to the terminal and the bridging I atoms, respectively. There exist three lines in the lowest temperature phase (LTP), indicating that the resonance line of the bridging atom splits into two. The signal intensities of the 127I(m =1/2↔3/2) NQR lines in the LTP decrease with decreasing temperature resulting in no detection below ca. 100 K. The 127I(m=1/2↔3/2) NQR frequency vs. temperature curves are continuous at Tcl, but they are unusual in the LTP. The T1vs. Tcurves of 1H NMR for the bromide and iodide are explainable by the reorientational motions of the cations about their pseudo three-fold axes. The estimated activation energies of the motions are 35.0 kJ/mol for the bromide, and 24.1, 30.1, and 23.0 kJ/mol for the RTP, FTP, and LTP of the iodide, respectively

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

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

  13. Temperature dependence of 35Cl NQR in 3,4-Dichlorophenol

    NASA Astrophysics Data System (ADS)

    Chandramani, R.; Devaraj, N.; Indumathy, A.; Ramakrishna, J.

    NQR frequencies in 3,4-dichlorophenol are investigated in the temperature range 77 K to room temperature. Two resonances have been observed throughout the temperature range, corresponding to the two chemically inequivalent chlorine sites. Using Bayer's theory and Brown's method torsional frequencies and their temperature dependence in this range are estimated.

  14. 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

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

    NASA Astrophysics Data System (ADS)

    Lužnik, Janko; Pirnat, Janez; Trontelj, Zvonko

    2009-09-01

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

  16. Coexistence of multiple charge-density waves and superconductivity in SrPt2As2 revealed by 75As-NMR /NQR and 195Pt-NMR

    NASA Astrophysics Data System (ADS)

    Kawasaki, Shinji; Tani, Yoshihiko; Mabuchi, Tomosuke; Kudo, Kazutaka; Nishikubo, Yoshihiro; Mitsuoka, Daisuke; Nohara, Minoru; Zheng, Guo-qing

    2015-02-01

    The relationship between charge-density wave (CDW) orders and superconductivity in arsenide superconductor SrPt2As2 with Tc=5.2 K which crystallizes in the CaBe2Ge2 -type structure was studied by 75As nuclear magnetic resonance (NMR) measurements up to 520 K, and 75As nuclear quadrupole resonance (NQR) and 195Pt-NMR measurements down to 1.5 K. At high temperature, 75As-NMR spectrum and nuclear-spin-relaxation rate (1 /T1) have revealed two distinct CDW orders, one realized in the As-Pt-As layer below TCDWAs (1 )=410 K and the other in the Pt-As-Pt layer below TCDWAs (2 )=255 K . The 1 /T1 measured by 75As-NQR shows a clear Hebel-Slichter peak just below Tc and decreases exponentially well below Tc. Concomitantly, 195Pt Knight shift decreases below Tc. Our results indicate that superconductivity in SrPt2As2 is in the spin-singlet state with an s -wave gap and is robust under the two distinct CDW orders in different layers.

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

    PubMed

    Odin

    2000-04-01

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

  18. 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.

  19. 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.

  20. 14N NQR investigation of some thermochromic and photochromic salicylideneanilines and related compounds

    NASA Astrophysics Data System (ADS)

    Hadjoudis, E.; Milia, F.; Seliger, J.; Zagar, V.; Blinc, R.

    1991-09-01

    The temperature dependence of the 14N NQR frequencies have been measured in a series of thermochromic and photochromic salicylideneanilines and related compounds using nuclear quadrupole double resonance. The results show that, in agreement with previous measurements, there is a fast exchange between inequivalent sites in the OH…N bond. The energy difference Δ E of the two proton sites was calculated for all the compounds and shows that it depends on their thermochromic behavior which is connected with the structure of the compounds.

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

    NASA Astrophysics Data System (ADS)

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

    2007-06-01

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

  2. Critical behavior study of antiferromagnetism in isostructural La2CuO4+δ and La2NiO4+δ

    NASA Astrophysics Data System (ADS)

    White, Benjamin; Neumeier, John; Erb, A.

    2009-03-01

    Neutron diffraction [1] and nuclear quadruple resonance [2] experiments coupled with theory calculations provide substantial evidence to support the widely-accepted belief that the two-dimensional Heisenberg model describes the antiferromagnetic interactions in La2CuO4 (S = .5ex1-.1em/ -.15em.25ex2 ) and La2NiO4 (S = 1). The heat capacity critical exponent α, which could provide further evidence, has never been studied in these two compounds because of the weak nature of the anomalies at TN. [3] We will present heat capacity and high-resolution thermal expansion measurements of La2CuO4 and La2NiO4 single crystals, grown by the floating-zone method, and an analysis of α within the context of predicted values for a variety of universality classes. This material is based upon work supported by the NSF (DMR-0504769) and US DOE Office of Basic Energy Sciences (DE-FG-06ER46269) [1] Y. Endoh et al., PRB 37, 7443 (1988); G. Aeppli and D.J. Buttrey, PRL 61, 203 (1988). [2] P. Carretta, A. Rigamonti, and R. Sala, PRB 55, 3734 (1997). [3] T. Kyomen et al., PRB 60, 14841 (1999); K. Sun et al., PRB 43, 239 (1991).

  3. 14N NQR and the Molecular Charge Topology in Coordinated Ammonia

    NASA Astrophysics Data System (ADS)

    Murgich, Juan; Aray, Yosslen; Ospina, Edgar

    1992-02-01

    14N NQR spectra of [Co(NH3 ) 6 ] • 3Cl, [Co(NH3 ) 5CO3 ] • NO 3 , [Zn(NH3 ) 4 ] • 2Cl, [Zn(NH3 ) 4 ] •(BF4)2, and [Ag(NH3) 4 ] • NO 3 were obtained at 77 K. The results, analyzed by means of the topology of the charge distribution obtained from ab-initio MO calculations of free and of a model of coordinated NH3 , showed that bonding to the metal-ion produces a strong decrease (Co ≫ Zn ≈Ag) in the N nonbonded density ("lone pair") and an increase in the bonded maxima found in the N - H bond direction of the N valence shell.

  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. 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.

  6. 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

  7. Persistence of singlet fluctuations in the coupled spin tetrahedra system Cu2Te2O5Br2 revealed by high-field magnetization, 79Br NQR, and 125Te NMR

    NASA Astrophysics Data System (ADS)

    Baek, S.-H.; Choi, K.-Y.; Berger, H.; Büchner, B.; Grafe, H.-J.

    2012-11-01

    We present high-field magnetization and 79Br nuclear quadrupole resonance (NQR) and 125Te nuclear magnetic resonance (NMR) studies in the weakly coupled Cu2+ (S=1/2) tetrahedral system Cu2Te2O5Br2. The field-induced level crossing effects were observed by the magnetization measurements in a long-ranged magnetically ordered state which was confirmed by a strong divergence of the spin-lattice relaxation rate T1-1 at T0=13.5 K. In the paramagnetic state, T1-1 reveals an effective singlet-triplet spin gap much larger than that observed by static bulk measurements. Our results imply that the inter- and the intratetrahedral interactions compete, but at the same time they cooperate strengthening effectively the local intratetrahedral exchange couplings. We discuss that the unusual feature originates from the frustrated intertetrahedral interactions.

  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. 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.

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

    DOE PAGESBeta

    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

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  12. 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.

  13. (14) N nuclear quadrupole resonance study of piroxicam: confirmation of new polymorphic form V.

    PubMed

    Lavrič, Zoran; Pirnat, Janez; Lužnik, Janko; Puc, Uroš; Trontelj, Zvonko; Srčič, Stane

    2015-06-01

    A new polymorphic crystal form of piroxicam was discovered while preparing crystalline samples of piroxicam for (14) N nuclear quadrupole resonance (NQR) analysis. The new crystal form, designated as V, was prepared by evaporative recrystallization from dichloromethane. Three known polymorphic forms (I, II, and III) were also prepared. Our aim was to apply (14) N NQR to characterize the new polymorphic form of piroxicam and compare the results with those of the other known polymorphic forms. Additional analytical methods used for characterization were X-ray powder diffraction (XRPD), thermal analysis, and vibrational spectroscopy. For the first time, a complete set of nine characteristic (14) N NQR frequencies was found for each prepared polymorph of piroxicam. The consistent set of measured frequencies and calculated characteristic quadrupole parameters found for the new polymorphic form V is a convincing evidence that we are dealing with a new form. The already known piroxicam polymorphic forms were characterized similarly. The XRPD results were in accordance with the conclusions of (14) N NQR analysis. The performed study clearly demonstrates a strong potential of (14) N NQR method to be applied as a highly discriminative spectroscopic analytical tool to characterize polymorphic forms. PMID:25776345

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

    SciTech Connect

    Furukawa, Yuji; Roy, Beas; Ran, Sheng; Budko, Sergey L.; Canfield, Paul C.

    2014-03-20

    The static and the dynamic spin correlations in the low-temperature collapsed tetragonal and the high-temperature tetragonal phase in CaFe2As2 have been investigated by As75 nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. Through the temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T1) and the Knight shifts, although stripe-type antiferromagnetic (AFM) spin correlations are realized in the high-temperature tetragonal phase, no trace of the AFM spin correlations can be found in the nonsuperconducting, low-temperature, collapsed tetragonal (cT) phase. Given that there is no magnetic broadening in As75 NMR spectra, together with the T-independent behavior of magnetic susceptibility χ and the T dependence of 1/T1Tχ, we conclude that Fe spin correlations are completely quenched statically and dynamically in the nonsuperconducting cT phase in CaFe2As2.

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

    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.

  16. Isotope effect on the temperature dependence of the 35Cl NQR frequency in (NH4)2RuCl6

    NASA Astrophysics Data System (ADS)

    Kume, Yoshio; Amino, Daiki; Asaji, Tetsuo

    2013-07-01

    The 35Cl nuclear quadrupole resonance frequencies and spin-lattice relaxation times for (NH4)2RuCl6, (ND4)2RuCl6, (NH4)2SnCl6, and (ND4)2SnCl6 were measured in the temperature range 4.2-300 K. In these four compounds, it was confirmed that no phase transition occurs in the observed temperature range. At 4.2 K, discrepancies of the NQR frequency between non-deuterated and deuterated compounds, which are attributed to the difference in the spatial distributions of hydrogen (deuterium) atoms in the ground states of the rotational motion of ammonium ion, reached to 24 kHz and 23 kHz for the ruthenate compounds and the stannate compounds, respectively. The separation between the ground and the first excited states of the rotational motion of the ammonium ion was estimated to be 466 J mol-1 and 840 J mol-1 for (ND4)2RuCl6 and (NH4)2RuCl6, respectively, by least-square fitting calculations of temperature dependence of the NQR frequency. For (ND4)2SnCl6 and (NH4)2SnCl6, these quantities were estimated to be 501 J mol-1 and 1544 J mol-1, respectively. It was clarified that the T1 minimum, which has been observed for the stannate compounds at around 60 K as a feature of the temperature dependence, was dependent on a method of sample preparation. It is concluded that the minimum is not an essential character of the ammonium hexachlorostannate(IV) since the crystals prepared in strong acid condition to prevent a partial substitution of chlorine atoms by hydroxyl groups, did not show such T1 minimum.

  17. Nuclear Quadrupole Resonance Studies of Charge Distributions in Molecular Solids.

    NASA Astrophysics Data System (ADS)

    Greenbaum, Steven Garry

    A detailed description of an NMR-NQR double resonance spectrometer designed and constructed in this laboratory is given, including some instruction on its use. ('14)N NQR data obtained by pulse methods for six classes of nitrogen-containing compounds are presented and analyzed in the framework of the Townes and Dailey theory. A study of the anti-cancer drugs cyclophosphamide, isophosphamide and triphosphamide suggests the existence of a correlation between the substance's chemotherapeutic efficacy and the (pi) - (sigma)(,NP) charge density at the trigonal nitrogen. Satisfactory correlations of the NQR spectra of 22 monosubstituted anilines with both the Hammett (sigma) parameters and the in vitro biological activities of the corresponding sulfanilamides have been found, indicating that the nitrogen lone-pair orbital is more sensitive than the nitrogen-carbon sigma orbital is to substituent effects. NQR spectra of several N-acetyl amino acids and related compounds are reported. The inductive effect of the chloroacetyl group on the nitrogen is discussed. A positive correlation between the (pi) - (sigma)(,NC) electron density at the nitrogen and the Taft inductive parameter (sigma)* is observed, suggesting that the nitrogen (pi) -charge density in the N-acetyl amino acids does not vary appreciably. Both ('14)N and ('35)Cl NQR data have been obtained for a series of compounds containing nitrogen directly bonded to chlorine. The existence of a linear correlation between the ('14)N and ('35)Cl quadrupole coupling constants is interpreted in terms of a simple model dealing with charge excesses and deficiencies at the respective nuclei. A study of two complexes of 4-aminopyridine (4AP) addresses the loss of pyridine nitrogen lone-pair charge upon formation of the strong and asymmetric N-H-N bond characteristic of these complexes. Evidence of hydrogen bonding interactions involving the amino nitrogens is found to be in agreement with a published neutron diffraction study

  18. Synthesis and phtoluminescence study of Microporous Metal Organic Frameworks (MMOFs) for sensing and detection of nitroexplosives and aromatic compounds

    NASA Astrophysics Data System (ADS)

    Pramanik, Sanhita

    Due to the increased terrorist activity worldwide and the use of modern bombs in those attacks, the development of a new method capable of rapidly and cost-efficiently detecting trace vapor of explosives is highly desirable. Chemical explosives composed of a diverse group of compounds, including nitroaromatics, nitramines, nitrate esters as well as some inorganic/organic nitrates and peroxides. Current methodologies include use of well trained dogs and sophisticated instrumentation such as gas chromatography coupled with a mass spectrometer, nuclear quadruple resonance, ionization mass spectrometry (IMS). These methods are highly sensitive and selective, but often expensive, not always easily accessible, and require intense training for operation. As a complementary method, chemical sensors can provide new ways to the rapid detection of ultra trace explosives, and can be easily incorporated into inexpensive and portable microelectronic devices. Fluorescence based sensors utilizing conjugated polymers have attracted enormous attention in the recent years for their excellent performance. In this thesis, a systematic study was performed in a series of luminescent MMOFs and their behavior upon exposure to the vapor of different analytes. For example, [Zn2(oba)2(bpy)]·DMA, one of the MMOFs made of paddle-wheel SBU, selectively responds to nitroaromatics (with electron-withdrawing groups) and other aromatic compounds, like benzene, toluene (with electron-donating groups) via fluorescent quenching and enhancement respectively. The study also shows that nitro-containing non-aromatic analytes (nitroaliphatics) make negligible effect on the fluorescence of [Zn2(oba)2(bpy)]·DMA . The results demonstrate the exceptional ability of this particular MMOF to selectively detect explosives of different types (e.g. aromatic DNT vs. non-aromatic or aliphatic DMNB). Another series of highly luminescent MMOFs made of the same metal center (Zn) and similar ligands (bpdc, bpy, 2,2'dmbpy

  19. Hybridization-driven gap in U3Bi4Ni3: a 209Bi NMR/NQR study

    SciTech Connect

    Baek, Seung H

    2009-01-01

    We report {sup 209}Bi nuclear-magnetic-resonance and nuclear-quadrupole-resonance measurements on a single crystal of the Kondo insulator U{sub 3}Bi{sub 4}Ni{sub 3}. The {sup 209}Bi nuclear-spin-lattice relaxation rate (T{sub 1}{sup -1}) shows activated behavior and is well fit by a spin gap of 220 K. The {sup 209}Bi Knight shift (K) exhibits a strong temperature dependence arising from 5f electrons, in which K is negative at high temperatures and increases as the temperature is lowered. Below 50 K, K shows a broad maximum and decreases slightly upon further cooling. Our data provide insight into the evolution of the hyperfine fields in a fully gapped Kondo insulator based on 5f electron hybridization.

  20. 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.

  1. Nuclear Quadrupole Resonance Studies of the Sorc Sequence and Nuclear Magnetic Resonance Studies of Polymers.

    NASA Astrophysics Data System (ADS)

    Jayakody, Jayakody R. Pemadasa

    1993-01-01

    The behavior of induction signals during steady -state pulse irradiation in ^{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 ^{15}N was studied at four different temperatures between 27^ circ and 120^circ Celsius and the correlation times for polymer backbone motions were obtained. Nafion films containing, water (D_2 O and H_2^{17}O) and methanol (CH_3OD, CH _3^{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 ^2H NMR lineshapes. Activation energies extracted from ^2H spin-lattice relaxation data on the high temperature side of the T_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 anisotropy of the host polymer. Activation volumes corresponding to a specific dynamical

  2. Undergraduate research studies program at participating institutions of the HBCU Fossil Energy Consortium. Final report

    SciTech Connect

    Bota, K.B.

    1991-12-31

    The primary objective of this research program is to expose students in the Historically Black Colleges and Universities (HBCU) Fossil Energy Consortium Institutions to energy and fossil fuels research, to stimulate their interest in the sciences and engineering and to encourage them to pursue graduate studies. This report provides the research accomplishment of the various students who participated in the program. Research results are presented on the following topics: Energy Enhancement and Pollutant Reduction in Coal by Cryogenic Diminution; Competition of NO and SO{sub 2} for OH Generated witin Electrical Aerosol Analyzers; Dispersed Iron Catalysts for Coal Gasification; NQR/NMR Studies of Copper-Cobalt Catalysts for Syngas Concersion; Catalytic gasification of Coal Chars by Potassium Sulfate and Ferrous Sulfate Mixtures; A New Method for Cleaning and Beneficiation of Ultrafine Coal; Characterization Studies of Coal-Derived Liquids; Study of Coal Liquefaction Catalysts and Removal of Certain Toxic Heavy Metal Ions from Coal Conversion Process Wastewaters.

  3. Undergraduate research studies program at participating institutions of the HBCU Fossil Energy Consortium

    SciTech Connect

    Bota, K.B.

    1991-01-01

    The primary objective of this research program is to expose students in the Historically Black Colleges and Universities (HBCU) Fossil Energy Consortium Institutions to energy and fossil fuels research, to stimulate their interest in the sciences and engineering and to encourage them to pursue graduate studies. This report provides the research accomplishment of the various students who participated in the program. Research results are presented on the following topics: Energy Enhancement and Pollutant Reduction in Coal by Cryogenic Diminution; Competition of NO and SO[sub 2] for OH Generated witin Electrical Aerosol Analyzers; Dispersed Iron Catalysts for Coal Gasification; NQR/NMR Studies of Copper-Cobalt Catalysts for Syngas Concersion; Catalytic gasification of Coal Chars by Potassium Sulfate and Ferrous Sulfate Mixtures; A New Method for Cleaning and Beneficiation of Ultrafine Coal; Characterization Studies of Coal-Derived Liquids; Study of Coal Liquefaction Catalysts and Removal of Certain Toxic Heavy Metal Ions from Coal Conversion Process Wastewaters.

  4. Nuclear magnetic and quadrupole resonance studies of the stripes materials

    NASA Astrophysics Data System (ADS)

    Grafe, H.-J.

    2012-11-01

    Nuclear Magnetic and Quadrupole Resonance (NMR/NQR) is a powerful tool to probe electronic inhomogeneities in correlated electron systems. Its local character allows for probing different environments due to spin density modulations or inhomogeneous doping distributions emerging from the correlations in these systems. In fact, NMR/NQR is not only sensitive to magnetic properties through interaction of the nuclear spin, but also allows to probe the symmetry of the charge distribution and its homogeneity, as well as structural modulations, through sensitivity to the electric field gradient (EFG). We review the results of NMR and NQR in the cuprates from intrinsic spatial variations of the hole concentration in the normal state to stripe order at low temperatures, thereby keeping in mind the influence of doping induced disorder and inhomogeneities. Finally, we briefly discuss NQR evidence for local electronic inhomogeneities in the recently discovered iron pnictides, suggesting that electronic inhomogeneities are a common feature of correlated electron systems.

  5. Origin and Evolution of the Sodium -Pumping NADH: Ubiquinone Oxidoreductase

    PubMed Central

    Reyes-Prieto, Adrian; Barquera, Blanca; Juárez, Oscar

    2014-01-01

    The sodium -pumping NADH: ubiquinone oxidoreductase (Na+-NQR) is the main ion pump and the primary entry site for electrons into the respiratory chain of many different types of pathogenic bacteria. This enzymatic complex creates a transmembrane gradient of sodium that is used by the cell to sustain ionic homeostasis, nutrient transport, ATP synthesis, flagellum rotation and other essential processes. Comparative genomics data demonstrate that the nqr operon, which encodes all Na+-NQR subunits, is found in a large variety of bacterial lineages with different habitats and metabolic strategies. Here we studied the distribution, origin and evolution of this enzymatic complex. The molecular phylogenetic analyses and the organizations of the nqr operon indicate that Na+-NQR evolved within the Chlorobi/Bacteroidetes group, after the duplication and subsequent neofunctionalization of the operon that encodes the homolog RNF complex. Subsequently, the nqr operon dispersed through multiple horizontal transfer events to other bacterial lineages such as Chlamydiae, Planctomyces and α, β, γ and δ -proteobacteria. Considering the biochemical properties of the Na+-NQR complex and its physiological role in different bacteria, we propose a detailed scenario to explain the molecular mechanisms that gave rise to its novel redox- dependent sodium -pumping activity. Our model postulates that the evolution of the Na+-NQR complex involved a functional divergence from its RNF homolog, following the duplication of the rnf operon, the loss of the rnfB gene and the recruitment of the reductase subunit of an aromatic monooxygenase. PMID:24809444

  6. Detecting body cavity bombs with nuclear quadrupole resonance

    NASA Astrophysics Data System (ADS)

    Collins, Michael London

    Nuclear Quadrupole Resonance (NQR) is a technology with great potential for detecting hidden explosives. Past NQR research has studied the detection of land mines and bombs concealed within luggage and packages. This thesis focuses on an NQR application that has received less attention and little or no publicly available research: detecting body cavity bombs (BCBs). BCBs include explosives that have been ingested, inserted into orifices, or surgically implanted. BCBs present a threat to aviation and secure facilities. They are extremely difficult to detect with the technology currently employed at security checkpoints. To evaluate whether or not NQR can be used to detect BCBs, a computational model is developed to assess how the dielectric properties of biological tissue affect the radio frequency magnetic field employed in NQR (0.5-5MHz). The relative permittivity of some biological tissue is very high (over 1,000 at 1MHz), making it conceivable that there is a significant effect on the electromagnetic field. To study this effect, the low-frequency approximation known as the Darwin model is employed. First, the electromagnetic field of a coil is calculated in free space. Second, a dielectric object or set of objects is introduced, and the free-space electric field is modified to accommodate the dielectric object ensuring that the relevant boundary conditions are obeyed. Finally, the magnetic field associated with the corrected electric field is calculated. This corrected magnetic field is evaluated with an NQR simulation to estimate the impact of dielectric tissue on NQR measurements. The effect of dielectric tissue is shown to be small, thus obviating a potential barrier to BCB detection. The NQR model presented may assist those designing excitation and detection coils for NQR. Some general coil design considerations and strategies are discussed.

  7. Nuclear Quadrupole Resonance Study of the Nitrogen Mustards and Local Anesthetics.

    NASA Astrophysics Data System (ADS)

    Buess, Michael Lee

    The density matrix description of pulsed nitrogen -14 nuclear quadrupole resonance (NQR) spin-echoes is presented. The parallel between this problem, when formulated in terms of the fictitious spin- 1/2 operators, and that of spin - 1/2 NMR spin-echoes in liquids is discussed along with the complications which arise in multiple-pulse NQR experiments in powders due to the random orientation of the electric field gradient tensors. The equipment and procedures involved in searching for, detecting and identifying NQR resonances using pulsed techniques are described. The ('14)N NQR spectra of several nitrogen mustard compounds in the solid state are reported and analyzed in the framework of the Townes and Dailey theory. For the aniline derivatives, a correlation exists between l -(sigma), l being the nitrogen lone-pair electron density and (sigma) the average N-C sigma bond electron density, and the enhanced Hammett sigma constant (sigma)('-). An improved correlation is obtained between l-(sigma) and (sigma)(,R)('-), which emphasizes the importance of resonance effects in determining l-(sigma). The increase of hydrolysis and alkylation rates with increasing values of l-(sigma) is in agreement with the identification of the cyclic immonium ion as the intermediate in the hydrolysis and alkylation processes of the aromatic nitrogen mustards. A possible correlation is noted between the ('35)Cl NQR spectra for some of the mustards and measures of toxic and antitumor activity. ('14)N NQR spectra for several local anesthetics in the solid state are also reported and analyzed using the Townes and Dailey approach. The changes in the electron distributions at various nitrogen sites, produced by protonating the tertiary amino nitrogen, are discussed and shown to be in general agreement with expectations bases on the increased electrophilic character of the protonated amino group.

  8. Rotational dynamics of water molecules near biological surfaces with implications for nuclear quadrupole relaxation.

    PubMed

    Braun, Daniel; Schmollngruber, Michael; Steinhauser, Othmar

    2016-09-21

    Based on Molecular Dynamics simulations of two different systems, the protein ubiquitin dissolved in water and an AOT reverse micelle, we present a broad analysis of the single particle rotational dynamics of water. A comprehensive connection to NQR, which is a prominent experimental method in this field, is developed, based on a reformulation of its theoretical framework. Interpretation of experimental NQR results requires a model which usually assumes that the NQR experiences retardation only in the first hydration shell. Indeed, the present study shows that this first-shell model is correct. Moreover, previous experimental retardation factors are quantitatively reproduced. All of this is seemingly contradicted by results of other methods, e.g., dielectric spectroscopy, responsible for a long-standing debate in this field. Our detailed analysis shows that NQR omits important information contained in overall water dynamics, most notably, the retardation of the water dipole axis in the electric field exerted by a biological surface. PMID:27546227

  9. 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.

  10. Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

    DOE PAGESBeta

    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.

  11. Role of the Na(+)-translocating NADH:quinone oxidoreductase in voltage generation and Na(+) extrusion in Vibrio cholerae.

    PubMed

    Vorburger, Thomas; Nedielkov, Ruslan; Brosig, Alexander; Bok, Eva; Schunke, Emina; Steffen, Wojtek; Mayer, Sonja; Götz, Friedrich; Möller, Heiko M; Steuber, Julia

    2016-04-01

    For Vibrio cholerae, the coordinated import and export of Na(+) is crucial for adaptation to habitats with different osmolarities. We investigated the Na(+)-extruding branch of the sodium cycle in this human pathogen by in vivo (23)Na-NMR spectroscopy. The Na(+) extrusion activity of cells was monitored after adding glucose which stimulated respiration via the Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR). In a V. cholerae deletion mutant devoid of the Na(+)-NQR encoding genes (nqrA-F), rates of respiratory Na(+) extrusion were decreased by a factor of four, but the cytoplasmic Na(+) concentration was essentially unchanged. Furthermore, the mutant was impaired in formation of transmembrane voltage (ΔΨ, inside negative) and did not grow under hypoosmotic conditions at pH8.2 or above. This growth defect could be complemented by transformation with the plasmid encoded nqr operon. In an alkaline environment, Na(+)/H(+) antiporters acidify the cytoplasm at the expense of the transmembrane voltage. It is proposed that, at alkaline pH and limiting Na(+) concentrations, the Na(+)-NQR is crucial for generation of a transmembrane voltage to drive the import of H(+) by electrogenic Na(+)/H(+) antiporters. Our study provides the basis to understand the role of the Na(+)-NQR in pathogenicity of V. cholerae and other pathogens relying on this primary Na(+) pump for respiration. PMID:26721205

  12. Impact of structural differences in carcinopreventive agents indole-3-carbinol and 3,3'-diindolylmethane on biological activity. An X-ray, ¹H-¹⁴N NQDR, ¹³C CP/MAS NMR, and periodic hybrid DFT study.

    PubMed

    Latosińska, Jolanta Natalia; Latosińska, Magdalena; Szafrański, Marek; Seliger, Janez; Žagar, Veselko; Burchardt, Dorota V

    2015-09-18

    Three experimental techniques (1)H-(14)N NQDR, (13)C CP/MAS NMR and X-ray and Density Functional Theory (GGA/BLYP with PBC) and Hirshfeld surfaces were applied for the structure-activity oriented studies of two phyto-antioxidants and anticarcinogens: indole-3-carbinol, I3C, and 3,3'-diindolylmethane, DIM, (its bioactive metabolite). One set of (14)N NQR frequencies for DIM (2.310, 2.200 and 0.110 MHz at 295K) and I3C (2.315, 1.985 and 0.330 MHz at 160K) was recorded. The multiplicity of NQR lines recorded at RT revealed high symmetry (chemical and physical equivalence) of both methyl indazole rings of DIM. Carbonyl (13)C CSA tensor components were calculated from the (13)C CP/MAS solid state NMR spectrum of I3C recorded under fast and slow spinning. At room temperature the crystal structure of I3C is orthorhombic: space group Pca21, Z=4, a=5.78922(16), b=15.6434(7) and c=8.4405(2)Å. The I3C molecules are aggregated into ribbons stacked along [001]. The oxygen atomsare disorderedbetween the two sites of different occupancy factors. It implies that the crystal is built of about 70% trans and 30% gauche conformers, and apart from the weak OH⋯O hydrogen bonds (O⋯O=3.106Å) the formation of alternative O'H⋯O bonds (O'⋯O=2.785Å) is possible within the 1D ribbons. The adjacent ribbons are further stabilised by O'H⋯O bonds (O'⋯O=2.951Å). The analysis of spectra and intermolecular interactions pattern by experimental techniques was supported by solid (periodic) DFT calculations. The knowledge of the topology and competition of the interactions in crystalline state shed some light on the preferred conformations of CH2OH in I3C and steric hindrance of methyl indole rings in DIM. A comparison of the local environment in gas phase and solid permitted drawing some conclusions on the nature of the interactions required for effective processes of recognition and binding of a given anticarcinogen to the protein or nucleic acid. PMID:26066413

  13. Induction and inhibition of NAD(P)H: quinone reductase in murine and human skin.

    PubMed

    Merk, H; Jugert, F; Bonnekoh, B; Mahrle, G

    1991-01-01

    The purpose of this study was to characterize the human cutaneous NAD(P)H: quinone reductase (NQR) activity by known inhibitors of different reductases and to compare it with the murine skin and liver NQR activity. This enzyme plays a major role in the defence of cells against oxygen stress because it inhibits the 1-electron reduction of quinones to semiquinones and their subsequent oxidation to quinones termed as quinone redox cycle. It belongs to the aromatic hydrocarbon-responsive (Ah) battery. This gene battery includes Cyp1a1 (cytochrome P-450 IA1), Cyp1a2 (cytochrome P-450 IA2) and Nmo-1 [NAD(P)H: quinone reductase]. In the skin cytochrome P-450 IA1-dependent activity is about 1-5% compared to the corresponding activity in the liver, whereas NQR has the same activity in skin and liver. NQR was determined in the cytoplasm of murine skin, liver, and human keratinocytes using 2,6-dichlorophenolindophenol as the substrate. The Ah-receptor binding compounds, such as coal tar constituents, or 3-methylcholanthrene induce cytochrome P-450-dependent activities such as aryl hydrocarbon hydroxylase or 7-ethoxyresorufin-O-de-ethylase and NQR, whereas butyl hydroxytoluol, which does not bind to the Ah receptor, induces only NQR. For inhibition studies several known inhibitors of dihydrodiol dehydrogenase, aldo-keto and carbonyl reductase activities were used. There was a similar pattern of inhibition of the basal and induced activity in all tissues investigated. Pyrazole, progesterone and phenobarbital did not inhibit, whereas dicoumarol, rutin and indomethacin inhibited NQR activity in murine skin and liver as well as in human keratinocytes.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:1768430

  14. Number of CuO2 layers dependence of magnetic quantum criticality in homogeneously doped high-T copper oxides: A 63Cu-NMR study on four-layered high-T compounds HgBa2Ca3Cu4O8+y

    NASA Astrophysics Data System (ADS)

    Itohara, Keita; Shimizu, Sunao; Mukuda, Hidekazu; Kitaoka, Yoshio; Shirage, Parasharam M.; Kito, Hijiri; Iyo, Akira

    2010-12-01

    We report 63Cu-NMR/NQR studies on Hg-based four-layered compounds HgBa2Ca3Cu4 O8+y (Hg-1234) with T=123, 110, and 95 K. The 63Cu Knight shift measurements have revealed that the carrier density (N) monotonously decreases with decreasing T. Although static magnetic order was not observed at N=0.15 for the IP with T=95K, it was revealed that antiferromagnetic correlations critically develop, preventing from observing the NMR spectrum below ˜200 K far above T. Thus, we deduce that a magnetic quantum critical point, where an AFM order collapses, may exist at slightly less than N˜0.15 in the Hg-based four-layered compounds, which is lower than that in Hg-based five-layered compounds, N˜0.17. This result suggests that a magnetic interlayer coupling, which stabilizes an AFM order, becomes weaker in the four-layered compounds than in five-layered compounds.

  15. Pulsed Fourier-transform NQR of 14N with a dc SQUID

    NASA Astrophysics Data System (ADS)

    Hürlimann, M. D.; Pennington, C. H.; Fan, N. Q.; Clarke, John; Pines, A.; Hahn, E. L.

    1992-07-01

    The zero-field free induction decay of solid ammonium perchlorate at 1.5 K has been directly detected with a dc superconducting quantum interference device. The Fourier-transform spectrum consists of three sharp lines at 17.4, 38.8, and 56.2 kHz arising from pure 14N nuclear quadrupole resonance transitions. The absence of splittings and resonance transitions from dipolar-coupled proton spins is attributed to reorientation of the ammonium groups by quantum tunneling in combination with motional averaging in the three proton levels characterized by the irreducible representation T. The measured 14N spin-spin relaxation time is 22+/-2 ms and the spin-lattice relaxation time is 63+/-6 ms.

  16. Reexamination of Spin Dynamics in La2CuO4 by Cu-NQR

    NASA Astrophysics Data System (ADS)

    Matsumura, Masahiro; Yasuoka, Hiroshi; Ueda, Yutaka; Yamagata, Hideki; Itoh, Yutaka

    1994-12-01

    The nuclear spin-lattice relaxation rate 1/T1 and the indirect nuclear spin-spin relaxation rate 1/T 2g for 63Cu in La2CuO4 (T N=312 K) were reexamined from 400 K to 1000 K, expanding the temperature range of the first observation by Imai et al. The temperature dependence of 1/T1 is in good agreement with the previous result, while 1/T 2g decreases more rapidly with temperature. The temperature dependences of both 1/T1 and 1/T 2g closely follow the renormalized classical (RC) formula below about 600 K, but deviate from the RC prediction above 600 K. The scaling relation between 1/T1 and 1/T 2g was not confirmed above 600 K, in conflict with the theoretical prediction for the quantum critical (QC) regime. Hence, we argue that the deviation from the RC formula above 600 K does not necessarily correspond to a crossover from the RC to the QC regime.

  17. Synthesis, conformational and NQR analysis of phosphoric triamides containing the P(O)[N]3 skeleton

    NASA Astrophysics Data System (ADS)

    Shariatinia, Zahra; Della Védova, Carlos O.; Erben, Mauricio F.; Tavasolinasab, Vahid; Gholivand, Khodayar

    2012-09-01

    New phosphoric triamides with general formula P(O)X3 where X = N-4-methylpiperazinyl (1), N-4-phenylpiperazinyl (2), N-4-ethoxycarbonyl piperazinyl (3), N-2-tetrahydrofurfuryl (4) were synthesized and characterized by 1H, 13C, 31P NMR, IR, Mass spectroscopy and elemental analysis. The molecular structure for compounds 1-4 were obtained by using quantum chemical calculations (HF and B3LYP methods with the 6-31+G∗∗ basis set). Moreover, optimized structures for previously reported 4-FC6H4C(O)NHP(O)X2 phosphoric triamides, X = pyrrolidin-1-yl (5), piperidin-1-yl (6) and hexamethyleneimin-1-yl (7) were obtained using the solid state structure (CIF files) as a starting point for the gas phase computation in which all independent molecules in structures 6 (seven structures) and 7 (two structures) were included. The computed results were in good agreement with the data obtained from the X-ray crystal structures reported earlier. The nuclear quadrupole coupling constants (NQCCs or χs) were calculated about 5.0 and 10.0 MHz for the 17O atoms of Pdbnd O and Cdbnd O bonds. For nitrogen atoms bonded to the phosphorus the NQCCs were found in the range between 4.0 and 5.5 MHz, whereas for compounds 4-7, the expected values for amidic hydrogen atoms are near 300 kHz.

  18. Using nitrogen-14 nuclear quadrupole resonance and electric field gradient information for the study of radiation effects

    SciTech Connect

    Iselin, L.H.

    1995-12-01

    Nitrogen-14 nuclear quadrupole resonance (NQR) was used in an attempt to detect the effects of ionizing radiation on organic material. Previously reported resonances for urea were detected at 2,913.32 {+-} 0.01 kHz and 2,347.88 {+-} 0.08 kHz with associated T{sub 2}* values 780 {+-} 20 {micro}s and 523 {+-} 24 {micro}s, respectively. The previously unreported {nu}{sub {minus}} line for urea-d{sup 4} was detected at 2,381 {+-} 0.04 Khz and used to determine accurately for the first time the values for the nuclear quadrupole coupling constant {chi} (3,548.74 {+-} 0.03 kHz) and the asymmetry parameter {eta} (0.31571 {+-} 0.00007) for urea-d{sup 4}. The inverse linewidth parameter T{sub 2}* for {nu}{sub +} was measured at 928 {+-} 23 {micro}s and for {nu}{sub {minus}} at 721 {+-} 12 {micro}s. Townes and Dailey analysis was performed and urea-d{sup 4} exhibits a 0.004 increase in lone pair electronic density and a slight decrease in N-H bond electronic density, as compared to urea, probably due to the mass difference. A relationship is proposed, referred to as NQR linewidth analysis, between the dynamic spin relaxation times T{sub 2} and T{sub 2}* and the widths of the distributions of the NQR parameters. Linewidth analysis is presented as a tool for possible use in future NQR work in all area, not just radiation effects. This relationship is tested using sodium nitrite T{sub 2} and T{sub 2}* values for {nu}{sub {minus}} and {nu}{sub {minus}} as a function of temperature.

  19. Solid-state (185/187)Re NMR and GIPAW DFT study of perrhenates and Re2(CO)10: chemical shift anisotropy, NMR crystallography, and a metal-metal bond.

    PubMed

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

    2015-04-21

    Advances in solid-state nuclear magnetic resonance (SSNMR) methods, such as dynamic nuclear polarization (DNP), intricate pulse sequences, and increased applied magnetic fields, allow for the study of systems which even very recently would be impractical. However, SSNMR methods using certain quadrupolar probe nuclei (i.e., I > 1/2), such as (185/187)Re remain far from fully developed due to the exceedingly strong interaction between the quadrupole moment of these nuclei and local electric field gradients (EFGs). We present a detailed high-field (B0 = 21.1 T) experimental SSNMR study on several perrhenates (KReO4, AgReO4, Ca(ReO4)2·2H2O), as well as ReO3 and Re2(CO)10. We propose solid ReO3 as a new rhenium SSNMR chemical shift standard due to its reproducible and sharp (185/187)Re NMR resonances. We show that for KReO4, previously poorly understood high-order quadrupole-induced effects (HOQIE) on the satellite transitions can be used to measure the EFG tensor asymmetry (i.e., ηQ) to nearly an order-of-magnitude greater precision than competing SSNMR and nuclear quadrupole resonance (NQR) approaches. Samples of AgReO4 and Ca(ReO4)2·2H2O enable us to comment on the effects of counter-ions and hydration upon Re(vii) chemical shifts. Calcium-43 and (185/187)Re NMR tensor parameters allow us to conclude that two proposed crystal structures for Ca(ReO4)2·2H2O, which would be considered as distinct, are in fact the same structure. Study of Re2(CO)10 provides insights into the effects of Re-Re bonding on the rhenium NMR tensor parameters and rhenium oxidation state on the Re chemical shift value. As overtone NQR experiments allowed us to precisely measure the (185/187)Re EFG tensor of Re2(CO)10, we were able to measure rhenium chemical shift anisotropy (CSA) for the first time in a powdered sample. Experimental observations are supported by gauge-including projector augmented-wave (GIPAW) density functional theory (DFT) calculations, with NMR tensor calculations also

  20. Mössbauer Spectroscopic Studies of (Me2NH2)2SnX6 (X = Cl or Br) and Their Related Complexes

    NASA Astrophysics Data System (ADS)

    Katada, Motomi; Afroj, Dilara; Yamauchi, Takashi; Kawata, Satoshi

    2002-07-01

    The temperature dependence in the 119Sn Mössbauer spectral area for {(CH3)2NH2}2SnCl6 was found to be almost linear, although a phase transition of the complex has been suggested by IR, 35Cl NQR and NMRstudies, while an anomaly in the temperature dependence for {(CH3)2NH2}2SnBr6 was found at 235 K, which is close to the phase transition temperature 253 K determined by 89Br NQR. These differences are attributable to molecular motion of the dimethylammonium ion in the complexes. The X-ray powder diffraction pattern of {(CH3)2NH2}2SnCl6 did not change near the phase transition point, but that of {(CH3)2NH2}2SnBr6 changed at 108 - 123 K and 233 - 253 K

  1. Ferromagnetic critical behavior in U(Co1-xFex)Al (0 ≤x ≤0.02 ) studied by 59Co nuclear quadrupole resonance measurements

    NASA Astrophysics Data System (ADS)

    Karube, K.; Hattori, T.; Ishida, K.; Kimura, N.

    2015-02-01

    In order to investigate physical properties around a ferromagnetic (FM) quantum transition point and a tricritical point (TCP) in the itinerant-electron metamagnetic compound UCoAl, we have performed the 59Co nuclear quadrupole resonance (NQR) measurement for the Fe-substituted U(Co1-xFex)Al(x =0 ,0.5 ,1 ,and2 %) in zero external magnetic field. The Fe concentration dependence of 59Co -NQR spectra at low temperatures indicates that the first-order FM transition occurs at least above x =1 % . The magnetic fluctuations along the c axis detected by the nuclear spin-spin relaxation rate 1 /T2 exhibit an anomaly at Tmax˜20 K and enhance with increasing x . These results are in good agreement with theoretical predictions and indicate the presence of prominent critical fluctuations at the TCP in this system.

  2. Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects

    SciTech Connect

    Urban, Jeffry Todd

    2004-12-21

    Experimental and theoretical research conducted in two areas in the field of nuclear magnetic resonance (NMR) spectroscopy is presented: (1) studies of the coherent quantum-mechanical control of the angular momentum dynamics of quadrupolar (spin I > 1/2) nuclei and its application to the determination of molecular structure; and (2) applications of the long-range nuclear dipolar field to novel NMR detection methodologies.The dissertation is organized into six chapters. The first two chapters and associated appendices are intended to be pedagogical and include an introduction to the quantum mechanical theory of pulsed NMR spectroscopy and the time dependent theory of quantum mechanics. The third chapter describes investigations of the solid-state multiple-quantum magic angle spinning (MQMAS) NMR experiment applied to I = 5/2 quadrupolar nuclei. This work reports the use of rotary resonance-matched radiofrequency irradiation for sensitivity enhancement of the I = 5/2 MQMAS experiment. These experiments exhibited certain selective line narrowing effects which were investigated theoretically.The fourth chapter extends the discussion of multiple quantum spectroscopy of quadrupolar nuclei to a mostly theoretical study of the feasibility of enhancing the resolution of nitrogen-14 NMR of large biomolecules in solution via double-quantum spectroscopy. The fifth chapter continues to extend the principles of multiple quantum NMR spectroscopy of quadrupolar nuclei to make analogies between experiments in NMR/nuclear quadrupolar resonance (NQR) and experiments in atomic/molecular optics (AMO). These analogies are made through the Hamiltonian and density operator formalism of angular momentum dynamics in the presence of electric and magnetic fields.The sixth chapter investigates the use of the macroscopic nuclear dipolar field to encode the NMR spectrum of an analyte nucleus indirectly in the magnetization of a sensor nucleus. This technique could potentially serve as an

  3. Low-frequency nuclear quadrupole resonance with a dc SQUID

    SciTech Connect

    Chang, J.W.

    1991-07-01

    Conventional pure nuclear quadrupole resonance (NQR) is a technique well suited for the study of very large quadrupolar interactions. Numerous nuclear magnetic resonance (NMR) techniques have been developed for the study of smaller quadrupolar interactions. However, there are many nuclei which have quadrupolar interactions of intermediate strength. Quadrupolar interactions in this region have traditionally been difficult or unfeasible to detect. This work describes the development and application of a SQUID NQR technique which is capable of measuring intermediate strength quadrupolar interactions, in the range of a few hundred kilohertz to several megahertz. In this technique, a dc SQUID (Superconducting QUantum Interference Device) is used to monitor the longitudinal sample magnetization, as opposed to the transverse magnetization, as a rf field is swept in frequency. This allows the detection of low-frequency nuclear quadrupole resonances over a very wide frequency range with high sensitivity. The theory of this NQR technique is discussed and a description of the dc SQUID system is given. In the following chapters, the spectrometer is discussed along with its application to the study of samples containing half-odd-integer spin quadrupolar nuclei, in particular boron-11 and aluminum-27. The feasibility of applying this NQR technique in the study of samples containing integer spin nuclei is discussed in the last chapter. 140 refs., 46 figs., 6 tabs.

  4. The Kinetic Reaction Mechanism of the Vibrio cholerae Sodium-dependent NADH Dehydrogenase*♦

    PubMed Central

    Tuz, Karina; Mezic, Katherine G.; Xu, Tianhao; Barquera, Blanca; Juárez, Oscar

    2015-01-01

    The sodium-dependent NADH dehydrogenase (Na+-NQR) is the main ion transporter in Vibrio cholerae. Its activity is linked to the operation of the respiratory chain and is essential for the development of the pathogenic phenotype. Previous studies have described different aspects of the enzyme, including the electron transfer pathways, sodium pumping structures, cofactor and subunit composition, among others. However, the mechanism of the enzyme remains to be completely elucidated. In this work, we have studied the kinetic mechanism of Na+-NQR with the use of steady state kinetics and stopped flow analysis. Na+-NQR follows a hexa-uni ping-pong mechanism, in which NADH acts as the first substrate, reacts with the enzyme, and the oxidized NAD leaves the catalytic site. In this conformation, the enzyme is able to capture two sodium ions and transport them to the external side of the membrane. In the last step, ubiquinone is bound and reduced, and ubiquinol is released. Our data also demonstrate that the catalytic cycle involves two redox states, the three- and five-electron reduced forms. A model that gathers all available information is proposed to explain the kinetic mechanism of Na+-NQR. This model provides a background to understand the current structural and functional information. PMID:26004776

  5. The Kinetic Reaction Mechanism of the Vibrio cholerae Sodium-dependent NADH Dehydrogenase.

    PubMed

    Tuz, Karina; Mezic, Katherine G; Xu, Tianhao; Barquera, Blanca; Juárez, Oscar

    2015-08-14

    The sodium-dependent NADH dehydrogenase (Na(+)-NQR) is the main ion transporter in Vibrio cholerae. Its activity is linked to the operation of the respiratory chain and is essential for the development of the pathogenic phenotype. Previous studies have described different aspects of the enzyme, including the electron transfer pathways, sodium pumping structures, cofactor and subunit composition, among others. However, the mechanism of the enzyme remains to be completely elucidated. In this work, we have studied the kinetic mechanism of Na(+)-NQR with the use of steady state kinetics and stopped flow analysis. Na(+)-NQR follows a hexa-uni ping-pong mechanism, in which NADH acts as the first substrate, reacts with the enzyme, and the oxidized NAD leaves the catalytic site. In this conformation, the enzyme is able to capture two sodium ions and transport them to the external side of the membrane. In the last step, ubiquinone is bound and reduced, and ubiquinol is released. Our data also demonstrate that the catalytic cycle involves two redox states, the three- and five-electron reduced forms. A model that gathers all available information is proposed to explain the kinetic mechanism of Na(+)-NQR. This model provides a background to understand the current structural and functional information. PMID:26004776

  6. Evidence for Unconventional Strong-Coupling Superconductivity in PrOs4Sb12: An Sb Nuclear Quadrupole Resonance Study

    NASA Astrophysics Data System (ADS)

    Kotegawa, H.; Yogi, M.; Imamura, Y.; Kawasaki, Y.; Zheng, G.-Q.; Kitaoka, Y.; Ohsaki, S.; Sugawara, H.; Aoki, Y.; Sato, H.

    2003-01-01

    We report Sb-NQR results which evidence a heavy-fermion (HF) behavior and an unconventional superconducting (SC) property in Pr(Os4Sb12 with Tc=1.85 K. The temperature (T) dependence of nuclear-spin-lattice-relaxation rate, 1/T1, and NQR frequency unravel a low-lying crystal-electric-field splitting below T0˜10 K, associated with Pr3+(4f2)-derived ground state. In the SC state, 1/T1 shows neither a coherence peak just below Tc K nor a T3-like power-law behavior observed for anisotropic HF superconductors with the line-node gap. The isotropic energy gap with its size Δ/kB=4.8 K seems to open up across Tc below T*˜2.3 K. It is surprising that Pr(Os4Sb12 looks like an isotropic HF superconductor—it may indeed argue for Cooper pairing via quadrupolar fluctuations.

  7. Applications of Nanoscale NMR Using Ensembles of NV Centers in Diamond

    NASA Astrophysics Data System (ADS)

    Bucher, Dominik; Glenn, David; Walsworth, Ronald

    2016-05-01

    Ensembles of nitrogen vacancy (NV) centers in diamond are now the frontier modality for nuclear magnetic resonance (NMR) signals at length-scales of microns to Angstroms. Promising applications including NMR and nuclear quadrupole resonance (NQR) spectroscopy in sub-nanoliter volumes, studies of diffusion and transport in small samples of biological tissue, and magnetic resonance imaging (MRI) of individual biological cells and molecules. Here, we describe recent progress toward such applications.

  8. Effects of charge inhomogeneities on elementary excitations in La2-xSrxCuO₄

    SciTech Connect

    Park, S. R.; Hamann, A.; Pintschovius, L.; Lamago, D.; Khaliullin, G.; Fujita, M.; Yamada, K.; Gu, G. D.; Tranquada, J. M.; Reznik, D.

    2011-12-12

    Purely local experimental probes of many copper oxide superconductors show that their electronic states are inhomogeneous in real space. For example, scanning tunneling spectroscopic imaging shows strong variations in real space, and according to nuclear quadrupole resonance (NQR) studies, the charge distribution in the bulk varies on the nanoscale. However, the analysis of the experimental results utilizing spatially averaged probes often ignores this fact. We have performed a detailed investigation of the doping dependence of the energy and linewidth of the zone-boundary Cu-O bond-stretching vibration in La2-xSrxCuO₄ by inelastic neutron scattering. Both our results as well as previously reported angle-dependent momentum widths of the electronic spectral function detected by angle-resolved photoemission can be reproduced by including the same distribution of local environments extracted from the NQR analysis.

  9. Effects of charge inhomogeneities on elementary excitations in La2-xSrxCuO₄

    DOE PAGESBeta

    Park, S. R.; Hamann, A.; Pintschovius, L.; Lamago, D.; Khaliullin, G.; Fujita, M.; Yamada, K.; Gu, G. D.; Tranquada, J. M.; Reznik, D.

    2011-12-12

    Purely local experimental probes of many copper oxide superconductors show that their electronic states are inhomogeneous in real space. For example, scanning tunneling spectroscopic imaging shows strong variations in real space, and according to nuclear quadrupole resonance (NQR) studies, the charge distribution in the bulk varies on the nanoscale. However, the analysis of the experimental results utilizing spatially averaged probes often ignores this fact. We have performed a detailed investigation of the doping dependence of the energy and linewidth of the zone-boundary Cu-O bond-stretching vibration in La2-xSrxCuO₄ by inelastic neutron scattering. Both our results as well as previously reported angle-dependentmore » momentum widths of the electronic spectral function detected by angle-resolved photoemission can be reproduced by including the same distribution of local environments extracted from the NQR analysis.« less

  10. Electron spin echo envelope modulation of molecular motions of deuterium nuclei.

    PubMed

    Syryamina, V N; Maryasov, A G; Bowman, M K; Dzuba, S A

    2015-12-01

    Electron Spin Echo Envelope Modulation (ESEEM) spectroscopy is a powerful technique for the study of hyperfine interactions between an unpaired electron and nearby nuclei in solids, and is employed in quantitative structural studies. Here, we describe the use of ESEEM to study the slow motion of deuterium nuclei using their nuclear quadrupole resonance (NQR) line shapes. Two ESEEM techniques were employed: the conventional three-pulse ESEEM experiment, π/2 - τ - π/2 - T- π/2 - τ - echo, and the four-pulse ESEEM, π/2 - τ - π/2 - T/2 - π - T/2 - π/2 - τ - echo, with the time variable T scanned in both cases. The nitroxide free radical 4-tert-butyliminomethyl-2,2,5,5-tetramethyl(d12)-3-imidazoline-1-oxyl with four deuterated methyl groups was investigated in a glassy ortho-terphenyl matrix over a wide temperature range. It was shown that four-pulse ESEEM allowed measurement of the nearly pure (2)H NQR line shape. Between 90K and 120K, the ESEEM spectra change drastically. At low temperatures, four-pulse ESEEM spectra show a Pake-like pattern, which evolves into a single line at higher temperatures, which is typical for NQR of rotating methyl CD3 groups. Comparison with literature data on NQR allows estimation of the reorientation rate, k. At ∼100K, where the spectral changes are most pronounced, k was found to be ∼10(5)s(-1). The spectral linewidths for the three-pulse ESEEM were found to decrease similarly with increasing temperature; so the three-pulse technique is also capable to detect motion of this type. The ESEEM approach, along with site-directed spin labeling, may be useful for detection of motional transitions near the spin labels in biological systems, when information on motion is required in a wide temperature range. PMID:26583529

  11. Electron spin echo envelope modulation of molecular motions of deuterium nuclei

    NASA Astrophysics Data System (ADS)

    Syryamina, V. N.; Maryasov, A. G.; Bowman, M. K.; Dzuba, S. A.

    2015-12-01

    Electron Spin Echo Envelope Modulation (ESEEM) spectroscopy is a powerful technique for the study of hyperfine interactions between an unpaired electron and nearby nuclei in solids, and is employed in quantitative structural studies. Here, we describe the use of ESEEM to study the slow motion of deuterium nuclei using their nuclear quadrupole resonance (NQR) line shapes. Two ESEEM techniques were employed: the conventional three-pulse ESEEM experiment, π/2 - τ - π/2 - T- π/2 - τ - echo, and the four-pulse ESEEM, π/2 - τ - π/2 - T/2 - π - T/2 - π/2 - τ - echo, with the time variable T scanned in both cases. The nitroxide free radical 4-tert-butyliminomethyl-2,2,5,5-tetramethyl(d12)-3-imidazoline-1-oxyl with four deuterated methyl groups was investigated in a glassy ortho-terphenyl matrix over a wide temperature range. It was shown that four-pulse ESEEM allowed measurement of the nearly pure 2H NQR line shape. Between 90 K and 120 K, the ESEEM spectra change drastically. At low temperatures, four-pulse ESEEM spectra show a Pake-like pattern, which evolves into a single line at higher temperatures, which is typical for NQR of rotating methyl CD3 groups. Comparison with literature data on NQR allows estimation of the reorientation rate, k. At ∼100 K, where the spectral changes are most pronounced, k was found to be ∼105 s-1. The spectral linewidths for the three-pulse ESEEM were found to decrease similarly with increasing temperature; so the three-pulse technique is also capable to detect motion of this type. The ESEEM approach, along with site-directed spin labeling, may be useful for detection of motional transitions near the spin labels in biological systems, when information on motion is required in a wide temperature range.

  12. A dual role for plant quinone reductases in host-fungus interaction.

    PubMed

    Heyno, Eiri; Alkan, Noam; Fluhr, Robert

    2013-11-01

    Quinone reductases (QR, EC 1.5.6.2) are flavoproteins that protect organisms from oxidative stress. The function of plant QRs has not as yet been addressed in vivo despite biochemical evidence for their involvement in redox reactions. Here, using knock-out (KO) and overexpressing lines, we studied the protective role of two groups of Arabidopsis thaliana cytosolic QRs, Nqr (NAD(P)H:quinone oxidoreductase) and Fqr (flavodoxin-like quinone reductase), in response to infection by necrotrophic fungi. The KO lines nqr(-) and fqr1(-) displayed significantly slower development of lesions of Botrytis cinerea and Sclerotinia sclerotium in comparison to the wild type (WT). Consistent with this observation, the overexpressing line FQR1(+) was hypersensitive to the pathogens. Both the nqr(-) and fqr1(-) displayed increased fluorescence of 2',7'-dichlorofluorescein,‬ a reporter for reactive oxygen species in response to B. cinerea. Infection by B. cinerea was accompanied with increased Nqr and Fqr1 protein levels in the WT as revealed by western blotting. In addition, a marked stimulation of salicylic acid-sensitive transcripts and suppression of jasmonate-sensitive transcripts was observed in moderately wounded QR KO mutant leaves, a condition mimicking the early stage of infection. In contrast to the above observations, germination of conidia was accelerated on leaves of QR KO mutants in comparison with the WT and FQR1(+). The same effect was observed in water-soluble leaf surface extracts. It is proposed that the altered interaction between B. cinerea and the QR mutants is a consequence of subtly altered redox state of the host, which perturbs host gene expression in response to environmental stress such as fungal growth.‬‬‬‬‬‬ PMID:23464356

  13. Complete topology of the RNF complex from Vibrio cholerae.

    PubMed

    Hreha, Teri N; Mezic, Katherine G; Herce, Henry D; Duffy, Ellen B; Bourges, Anais; Pryshchep, Sergey; Juarez, Oscar; Barquera, Blanca

    2015-04-21

    RNF is a redox-driven ion (Na(+) and in one case possibly H(+)) transporter present in many prokaryotes. It has been proposed that RNF performs a variety of reactions in different organisms, delivering low-potential reducing equivalents for specific cellular processes. RNF shares strong homology with the Na(+)-pumping respiratory enzyme Na(+)-NQR, although there are significant differences in subunit and redox cofactor composition. Here we report a topological analysis of the six subunits of RNF from Vibrio cholerae. Although individual subunits from other organisms have previously been studied, this is the first complete, experimentally derived, analysis of RNF from any one source. This has allowed us to identify and confirm key properties of RNF. The putative NADH binding site in RnfC is located on the cytoplasmic side of the membrane. FeS centers in RnfB and RnfC are also located on the cytoplasmic side. However, covalently attached FMNs in RnfD and RnfG are both located in the periplasm. RNF also contains a number of acidic residues that correspond to functionally important groups in Na(+)-NQR. The acidic residues involved in Na(+) uptake and many of those implicated in Na(+) translocation are topologically conserved. The topology of RNF closely matches the topology represented in the newly published structure of Na(+)-NQR, consistent with the close relation between the two enzymes. The topology of RNF is discussed in the context of the current structural model of Na(+)-NQR, and the proposed functionality of the RNF complex itself. PMID:25831459

  14. Molecular insights into the enzymatic diversity of flavin-trafficking protein (Ftp; formerly ApbE) in flavoprotein biogenesis in the bacterial periplasm.

    PubMed

    Deka, Ranjit K; Brautigam, Chad A; Liu, Wei Z; Tomchick, Diana R; Norgard, Michael V

    2016-02-01

    We recently reported a flavin-trafficking protein (Ftp) in the syphilis spirochete Treponema pallidum (Ftp_Tp) as the first bacterial metal-dependent FAD pyrophosphatase that hydrolyzes FAD into AMP and FMN in the periplasm. Orthologs of Ftp_Tp in other bacteria (formerly ApbE) appear to lack this hydrolytic activity; rather, they flavinylate the redox subunit, NqrC, via their metal-dependent FMN transferase activity. However, nothing has been known about the nature or mechanism of metal-dependent Ftp catalysis in either Nqr- or Rnf-redox-containing bacteria. In the current study, we identified a bimetal center in the crystal structure of Escherichia coli Ftp (Ftp_Ec) and show via mutagenesis that a single amino acid substitution converts it from an FAD-binding protein to a Mg(2+) -dependent FAD pyrophosphatase (Ftp_Tp-like). Furthermore, in the presence of protein substrates, both types of Ftps are capable of flavinylating periplasmic redox-carrying proteins (e.g., RnfG_Ec) via the metal-dependent covalent attachment of FMN. A high-resolution structure of the Ftp-mediated flavinylated protein of Shewanella oneidensis NqrC identified an essential lysine in phosphoester-threonyl-FMN bond formation in the posttranslationally modified flavoproteins. Together, these discoveries broaden our understanding of the physiological capabilities of the bacterial periplasm, and they also clarify a possible mechanism by which flavoproteins are generated. PMID:26626129

  15. Nuclear magnetic and quadrupole resonance in metallic powders in the presence of strong quadrupole interaction: Rhenium metal

    SciTech Connect

    Dimitropoulos, C.; Maglione, M.; Borsa, F.

    1988-03-01

    The nuclear-magnetic-resonance and nuclear-quadrupole-resonance (NQR-NMR) spectra of /sup 187/Re and /sup 185/Re in a powder of rhenium metal were measured in the temperature range 5--10 K both in zero field and with an external magnetic field. The zero-field NQR spectrum is severely broadened by a nonuniform distribution of quadrupole interactions. The average quadrupole coupling frequencies measured at 5 K are, for the two isotopes, ..nu../sub Q/ = 39 +- 0.2 MHz (/sup 187/Re) and ..nu../sub Q/ = 40.8 +- 0.3 MHz (/sup 185/Re). The spectra obtained in the presence of an external magnetic field can be interpreted satisfactorily in terms of transitions among the eigenstates of the full Hamiltonian (Zeeman plus quadrupolar). Measurements of relaxation rates yield T/sub 1/T = 0.03 sK, indicating a relaxation mechanism driven by the hyperfine interaction with the conduction electrons. The feasibility of NQR-NMR studies in small metal particles in the presence of strong inhomogeneous quadrupole interactions is assessed

  16. INSTRUMENTS AND METHODS OF INVESTIGATION: New technologies: nuclear quadrupole resonance as an explosive and narcotic detection technique

    NASA Astrophysics Data System (ADS)

    Grechishkin, Vadim S.; Sinyavskii, Nikolai Ya

    1997-04-01

    Possibilities of detecting nuclear quadrupole resonance (NQR) signals in explosives and drugs are considered. Direct and indirect NQR techniques for searching substances are described and the potentialities of various experimental methods are compared.

  17. Nuclear quadrupole resonance detection of explosives: an overview

    NASA Astrophysics Data System (ADS)

    Miller, Joel B.

    2011-06-01

    Nuclear Quadrupole Resonance (NQR) is a spectroscopic technique closely related to Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI). These techniques, and NQR in particular, induce signals from the material being interrogated that are very specific to the chemical and physical structure of the material, but are relatively insensitive to the physical form of the material. NQR explosives detection exploits this specificity to detect explosive materials, in contrast to other well known techniques that are designed to detect explosive devices. The past two decades have seen a large research and development effort in NQR explosives detection in the United States aimed at transportation security and military applications. Here, I will briefly describe the physical basis for NQR before discussing NQR developments over the past decade, with particular emphasis on landmine detection and the use of NQR in combating IED's. Potential future directions for NQR research and development are discussed.

  18. Analysis of the performance of a phase alternated multiple pulse sequence in spin I = 7/2 zero-field NQR spectroscopy

    NASA Astrophysics Data System (ADS)

    Ramamoorthy, A.

    Zero-field nuclear magnetic resonance spectroscopy of solids containing quadrupole nuclei usually results in broad spectral lines. This line-broadening is due mainly to the inhomogeneity of the electric field gradient (EFG) at the quadrupolar nuclear site. High resolution spectra of such solids can be obtained with the application of suitably designed multiple radiofrequency (RF) pulse sequences. The performance is reported for a periodic and cyclic phase alternated multiple RF pulse sequence (PAPS) in a spin I = 7/2 system in zero external magnetic field. Average Hamiltonian theory based on the Magnus expansion is used to solve the time-dependent Liouville-von Neumann equation of motion of the spin system under the effect of the PAPS sequence. Single transition operators are employed in the spin dynamics calculations. It is shown that the multiple pulse seqeuncearation pulse, suppresses the EFG inhomogeneity to a maximum extent when = 2 . [-- ] 2 , where is the prep1 2 2 N 1 2 1

  19. Covalent Binding of Flavins to RnfG and RnfD in the Rnf Complex from Vibrio cholerae

    PubMed Central

    Backiel, Julianne; Juárez, Oscar; Zagorevski, Dmitri V.; Wang, Zhenyu; Nilges, Mark J.; Barquera, Blanca

    2009-01-01

    Enzymes of the Rnf family are believed to be bacterial redox-driven ion pumps, coupling an oxidoreduction process to the translocation of Na+ across the cell membrane. Here we show for the first time that Rnf is a flavoprotein, with FMN covalently bound to threonine-175 in RnfG and a second flavin bound to threonine-187 in RnfD. Rnf subunits D and G are homologous to subunits B and C of Na+-NQR, respectively. Each of these Na+-NQR subunits includes a conserved S(T)GAT motif, with FMN covalently bound to the final threonine. RnfD and RnfG both contain the same motif, suggesting that they bind flavins in a similar way. In order to investigate this, the genes for RnfD and RnfG from Vibrio cholerae were cloned and expressed individually in that organism. In both cases the produced protein fluoresced under UV illumination on an SDS gel, further indicating the presence of flavin. However, analysis of the mutants RnfG-T175L, RnfD-T278L, and RnfD-T187V showed that RnfG-T175 and RnfD-T187 are the likely flavin ligands. This indicates that, in the case of RnfD, the flavin is bound, not to the SGAT sequence but to the final residues of a TMAT sequence, a novel variant of the flavin binding motif. In the case of RnfG, flavin analysis, followed by MALDI-TOF-TOF mass spectrometry, showed that an FMN is covalently attached to threonine-175, the final threonine of the S(T)GAT sequence. Studies by visible, EPR, and ENDOR spectroscopy showed that, upon partial reduction, the isolated RnfG produces a neutral semiquinone intermediate. The semiquinone species disappeared upon full reduction and was not observed in the denatured protein. A topological analysis combining reporter protein fusion and computer predictions indicated that the flavins in RnfG and RnfD are localized in the periplasmic space. In contrast, in NqrC and NqrB the flavins are located in a cytoplasmic loop. This topological analysis suggests that there may be mechanistic differences between the Rnf and Na+-NQR

  20. Microscopic study of local structure and charge distribution in metallic La{sub 2}CuO{sub 4+{delta}}

    SciTech Connect

    Hammel, P.C.; Reyes, A.P.; Ahrens, E.T.; Fisk, Z.; Canfield, P.C.; Thompson, J.D.; Schirber, J.E.

    1993-10-29

    The authors employ NMR and NQR spectroscopy as probes of local structure and charge environments in metallic La{sub 2}CuO{sub 4+{delta}} ({Tc} = 38 K). They discuss the effect of annealing the sample at various temperatures T{sub a} ({Tc} < T{sub a} < 300K) on the superconducting {Tc}. The dependence of {Tc} on annealing indicates that annealing allows the development of structural order which is important for {Tc}. The {sup 139}La quadrupole frequency, {nu}{sub Q} is smaller than in undoped materials. This is unexpected and may indicate a smaller charge on the apex oxygen in the doped material and thus a different distribution of charge between the La-O layer to the planes. The further, rapid decrease in {nu}{sub Q} just above {Tc} indicates that temperature dependent charge redistribution is occurring. The presence of doped holes induces a distribution of displacements of the apex oxygen off of the vertical La-Cu bond axis. These vary from zero to the value observed in lightly doped (antiferromagnetic) La{sub 2}CuO{sub 4+{delta}}. These measurements demonstrate a striking degree of inhomogeneity in the crystal structure of the La-O layer. Copper NQR spectroscopy shows that there are two distinct copper sites in the CuO{sub 2} planes and thus that either the structure or the charge distribution in the planes is inhomogeneous as well. These inhomogeneities are the intrinsic response of the crystal to doped holes; they are not the result of distortions of the lattice due to the presence of interstitial oxygen atoms.

  1. 1H and 13C NMR study of substituted 3-OH pyridines

    NASA Astrophysics Data System (ADS)

    De Kowalewski, D. G.; De Los Santos, C.

    1990-04-01

    nJHH, nJCH and δ 13C values have been measured for a series of X substituted 3-hydroxypyridines (X = 2-NH 2, 2-NO 2, 5-Cl, 6-CH 3, 2-Cl, 2-Br, 2-I). The results show that the additivity of δ 13C provides a valuable criterion to differentiate the phenolic from the zwitterion structure. This conclusion is based on the fact that in the first case, for 2-NH 2-, 2-NO 2-, 5-Cl- and 6-CH 3-3-hydroxypyridines, there is agreement between the experimental and the additivity δ 13C values, while in the three halogen derivatives (2-Cl-, 2-Br- and 2-I-3-hydroxypyridines) the δ exp—addC3 values of -4.95, -7.25 and 9.05 are probably due to the negative charge present on the three position of the zwitterion. Since the additivity of 1JCH values holds in all substances examined (unlike the case of the 2-pyridone derivatives) it is not possible to use that criterion to differentiate between the phenolic and dipolar structures. The above conclusions are in agreement with IR, p K, NQR, RX, kinetics experiments and quantum chemical calculations of other authors.

  2. 79Br Nuclear Quadrupole Relaxation in the High Temperature Modification of Niobium Pentabromide

    NASA Astrophysics Data System (ADS)

    Okubo, Noriaki; Sekiya, Harutaka; Ishikawa, Chiaki; Abe, Yoshihito

    1992-06-01

    The spin-lattice relaxation time of 79Br NQR has been measured between 4.2 K and room temperature. The result is compared with that of 35Cl NQR in NbCl5. The origin of the relaxation is attributed to the quadrupolar interaction and the temperature dependence is explained by the Raman process. The Debye temperature is determined to be 94 K and the relaxation time is related with the NQR frequency through the covalency.

  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. 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.

  5. Image restoration using fast Fourier and wavelet transforms

    NASA Astrophysics Data System (ADS)

    Harrod, William J.; Nagy, James G.; Plemmons, Robert J.

    1994-02-01

    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.

  6. Aspartic Acid 397 in Subunit B of the Na+-pumping NADH:Quinone Oxidoreductase from Vibrio cholerae Forms Part of a Sodium-binding Site, Is Involved in Cation Selectivity, and Affects Cation-binding Site Cooperativity

    PubMed Central

    Shea, Michael E.; Juárez, Oscar; Cho, Jonathan; Barquera, Blanca

    2013-01-01

    The Na+-pumping NADH:quinone complex is found in Vibrio cholerae and other marine and pathogenic bacteria. NADH:ubiquinone oxidoreductase oxidizes NADH and reduces ubiquinone, using the free energy released by this reaction to pump sodium ions across the cell membrane. In a previous report, a conserved aspartic acid residue in the NqrB subunit at position 397, located in the cytosolic face of this protein, was proposed to be involved in the capture of sodium. Here, we studied the role of this residue through the characterization of mutant enzymes in which this aspartic acid was substituted by other residues that change charge and size, such as arginine, serine, lysine, glutamic acid, and cysteine. Our results indicate that NqrB-Asp-397 forms part of one of the at least two sodium-binding sites and that both size and charge at this position are critical for the function of the enzyme. Moreover, we demonstrate that this residue is involved in cation selectivity, has a critical role in the communication between sodium-binding sites, by promoting cooperativity, and controls the electron transfer step involved in sodium uptake (2Fe-2S → FMNC). PMID:24030824

  7. Effect of a weak static magnetic field on nitrogen-14 quadrupole resonance in the case of an axially symmetric electric field gradient tensor.

    PubMed

    Guendouz, Laouès; Aissani, Sarra; Marêché, Jean-François; Retournard, Alain; Marande, Pierre-Louis; Canet, Daniel

    2013-01-01

    The application of a weak static B0 magnetic field (less than 1 mT) may produce a well-defined splitting of the (14)N Quadrupole Resonance line when the electric field gradient tensor at the nitrogen nucleus level is of axial symmetry. It is theoretically shown and experimentally confirmed that the actual splitting (when it exists) as well as the line-shape and the signal intensity depends on three factors: (i) the amplitude of B0, (ii) the amplitude and pulse duration of the radio-frequency field, B1, used for detecting the NQR signal, and (iii) the relative orientation of B0 and B1. For instance, when B0 is parallel to B1 and regardless of the B0 value, the signal intensity is three times larger than when B0 is perpendicular to B1. This point is of some importance in practice since NQR measurements are almost always performed in the earth field. Moreover, in the course of this study, it has been recognized that important pieces of information regarding line-shape are contained in data points at the beginning of the free induction decay (fid) which, in practice, are eliminated for avoiding spurious signals due to probe ringing. It has been found that these data points can generally be retrieved by linear prediction (LP) procedures. As a further LP benefit, the signal intensity loss (by about a factor of three) is regained. PMID:24183810

  8. Biofeasibility Study.

    ERIC Educational Resources Information Center

    Chaparian, Michael

    1995-01-01

    Discusses the use of bioremediation as a method for disposing of contaminants by exploiting natural biodegradation processes. The process of conducting a biofeasibility study and a case study are reviewed. (LZ)

  9. College Studying.

    ERIC Educational Resources Information Center

    Nist, Sherrie L.; Simpson, Michele

    2002-01-01

    Notes that many students enter postsecondary institutions unprepared to meet the studying demands placed on them. Examines models and taxonomies that have guided researchers as they have investigated studying. Reviews research factors related to studying at the college level: course characteristics, learner characteristics, and learning…

  10. Intelligence Studies

    ERIC Educational Resources Information Center

    Monaghan, Peter

    2009-01-01

    To make an academic study of matters inherently secret and potentially explosive seems a tall task. But a growing number of scholars are drawn to understanding spycraft. The interdisciplinary field of intelligence studies is mushrooming, as scholars trained in history, international studies, and political science examine such subjects as the…

  11. Social Studies.

    ERIC Educational Resources Information Center

    Bieber, Edward

    The product of a Special Studies Institute, this teacher developed resource guide for the emotionally handicapped (K-6) presents social study concepts and activities relative to education in the urban out-of-doors. Focus is on the study of man (past, present, and future) interacting with his environment. Listed below are activity examples: (1)…

  12. Toxicity Studies.

    PubMed

    2016-01-01

    Toxicity studies in the animal models are done to determine the dose level recommended for the treatment of disease as drug. This guideline enables the characterization of adverse effects following repeated daily inhalation exposure to a test. This chapter includes oral and dermal toxicity studies which are discussed as per OECD guidelines. Both acute and subacute toxicity studies are given special emphasis. PMID:26939270

  13. Nondestructive testing of adhesive bonds by nuclear quadrupole resonance method

    NASA Technical Reports Server (NTRS)

    Hewitt, R. R.

    1971-01-01

    Inert, strain sensitive tracer, cuprous oxide, added to polymeric adhesive ensures sufficiently large signal to noise ratio in NQR system output. Method is successful, provided that RF-transparent structural materials are used between modified adhesive and probe of NQR spectrometer.

  14. Aerosal studies

    NASA Technical Reports Server (NTRS)

    Harris, F. S., Jr.

    1976-01-01

    Various methods of measuring aerosols were studied in terms of the best methods to use, the instruments or techniques actually employed, and those techniques applied in field measurements on air quality as influenced by rocket launch effluents, and in an urban environment. Further studies were initiated on the remote sensing of aerosols by satellites and the influence of aerosols on visibility. The characterization of aerosols by measurement of scattered light was studied on Mie theory calculations.

  15. Social Studies.

    ERIC Educational Resources Information Center

    White, Cam, Ed.

    This document contains the following papers on social studies instruction and technology: (1) "Waking the Sleeping Giant: Social Studies Teacher Educators Collaborate To Integrate Technology into Methods' Courses" (Cheryl Mason, Marsha Alibrandi, Michael Berson, Kara Dawson, Rich Diem, Tony Dralle, David Hicks, Tim Keiper, and John Lee); (2)…

  16. Stream Studies.

    ERIC Educational Resources Information Center

    Hamilton City Board of Education (Ontario).

    This manual provides teachers with some knowledge of ecological study methods and techniques used in collecting data when plants and animals are studied in the field. Most activities deal with the interrelatedness of plant and animal life to the structure and characteristics of a stream and pond. Also included in this unit plan designed for the…

  17. Women's Studies.

    ERIC Educational Resources Information Center

    Davis, James E., Ed.; Davis, Hazel K., Ed.

    1981-01-01

    The 16 articles in this journal issue deal with women's studies within the English curriculum. Topics discussed in the articles include (1) the feminist challenge to the male-centered curriculum in higher education; (2) the women's movement and women's studies; (3) connotations of the word "girl"; (4) women in English education; (5) the new…

  18. Study Skills.

    ERIC Educational Resources Information Center

    Thomas, Anne

    1993-01-01

    Three developments lend support to the idea that schools must help teach study skills: (1) advances in cognitive psychology that suggest children are active learners; (2) society's concern for at-risk students; and (3) growing demands for improved student performance. There is evidence that systematic study skills instruction does improve academic…

  19. Studying Zooarchaeology

    ERIC Educational Resources Information Center

    Moore, Molly; Wolf, Deborah; Butler, Virginia L.

    2012-01-01

    Children often associate the study of bones with dinosaurs or crime scenes. This unit introduces students to "zooarchaeology," the study of animal remains from archaeological sites. Students in grades 3-5 engage in hands-on activities examining bones, shells, and other "hard parts" of animals. They use their observations as a starting point for…

  20. SISTER STUDY

    EPA Science Inventory

    The Sister Study will investigate the role of genetic, environmental, and lifestyle factors on the risk of breast cancer and other diseases in sisters of women with breast cancer. This research study will enroll 50,000 women who live in the United States and who are the cancer-fr...

  1. Culture Studies: Hawaiian Studies Project.

    ERIC Educational Resources Information Center

    Hazama, Dorothy, Ed.

    Reports and materials from the Hawaiian Studies Project are presented. The document, designed for elementary school teachers contains two major sections. The first section describes the planning phase of the project, the Summer Institute for Hawaiian Culture Studies (1976) and the follow-up workshops and consultant help (1976-77). The appendix to…

  2. MEDIEVAL STUDIES.

    ERIC Educational Resources Information Center

    MARTONFFY, ANDREA PONTECORVO; AND OTHERS

    A CURRICULUM GUIDE ON MEDIEVAL STUDIES IS PRESENTED, INCLUDING TEACHER MATERIALS AND STUDENT PROBLEM SETS. THE TEACHER MATERIALS DESCRIBE AND EXPLAIN THE ECONOMIC, SOCIAL, AND POLITICAL ASPECTS OF MANORIAL LIFE--THE PREDOMINANT FORM OF AGRICULTURAL LIFE IN NORTHERN FRANCE, ENGLAND, AND GERMANY DURING THE PERIOD FROM APPROXIMATELY 800 TO 1300 A.D.…

  3. Discipline Study.

    ERIC Educational Resources Information Center

    Queer, Glenn E.

    This report discusses a study designed to elicit opinions from Pittsburgh School District principals, parents, and teachers concerning corporal punishment and other disciplinary action. Questionnaires were aimed at (1) determining reactions to current regulations governing the use of corporal punishment, (2) eliciting instances of experience or…

  4. NEUROTOXICITY STUDIES

    EPA Science Inventory

    The neurotoxicity of DBPs in general has not been well characterized. The literature provides reports of neurotoxicity of DCA following exposures to relatively high doses. Studies completed at EPA, however, have shown that relatively low doses of DCA (as low as 16 mg/kg/day; simi...

  5. Readability Study.

    ERIC Educational Resources Information Center

    White, Robert; Jordan, William

    A readability study for the Albuquerque Technical-Vocational Institute (T-VI) was undertaken to provide information regarding the reading ability required to complete training and to function in entry-level jobs. Readability formulas were applied to materials used in training and on the job. In addition, students were tested for level of reading,…

  6. Case Studies

    ERIC Educational Resources Information Center

    Ritter, Lois A., Ed.; Sue, Valerie M., Ed.

    2007-01-01

    This article presents two case studies using online surveys for evaluation. The authors begin with an example of a needs assessment survey designed to measure the amount of help new students at a university require in their first year. They then discuss the follow-up survey conducted by the same university to measure the effectiveness of the…

  7. IMMUNOTOXICITY STUDIES

    EPA Science Inventory

    Few D/DBPs have been evaluated for effects on the immune system, but certain studies suggest that immunosuppression may follow exposure to D/DBPs. Suppressed immune function is associated with increased susceptibility to infectious disease and certain types of cancer in humans a...

  8. Research Study

    ERIC Educational Resources Information Center

    Glick, Ashley

    2010-01-01

    Background: Action Research about my 2nd grade classroom in the Buffalo School District. I examined three areas of interest and tried to find some conclusions related to behavior management. Purpose: The purpose of this study is how will implementing procedures, rules, and consequences help improve student behavior. Research Design: Descriptive;…

  9. Study Design for Sequencing Studies.

    PubMed

    Honaas, Loren A; Altman, Naomi S; Krzywinski, Martin

    2016-01-01

    Once a biochemical method has been devised to sample RNA or DNA of interest, sequencing can be used to identify the sampled molecules with high fidelity and low bias. High-throughput sequencing has therefore become the primary data acquisition method for many genomics studies and is being used more and more to address molecular biology questions. By applying principles of statistical experimental design, sequencing experiments can be made more sensitive to the effects under study as well as more biologically sound, hence more replicable. PMID:27008009

  10. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1956-01-01

    The first portion of this study describes in detail the different aspects of stool examinations, including the collection, preservation, and pooling of specimens, macroscopic and bacterioscopic examination, enrichment methods, and cultivation on a variety of solid media. The author also deals with the examination of vomits and of water. The performance and value of different identification tests (agglutination, haemolysis, and bacteriophage) and confirmatory tests are then considered. An annex is included on bacteriological procedures in the laboratory diagnosis of cholera. PMID:13356145

  11. Retrospective studies.

    PubMed

    Silveira, Patrícia Pelufo; Manfro, Gisele Gus

    2015-01-01

    Large retrospective, epidemiological studies accumulated in the late 1980s, providing increasing evidence to the deeply rooted thought that perinatal events could persistently affect the individual's functioning and health/disease patterns throughout the lifetime. Evidences of such associations can be found in the literature since the beginning of the twentieth century, but studies from Barker, Hales, and colleagues serve as an important hallmark. They proposed the "thrifty phenotype" hypothesis, stating that poor nutrition in fetal and early infant life is detrimental to the development and function of the individuals' organism, predisposing them to the later development of adult chronic diseases. At first used to explain the increased risk for type 2 diabetes in low birth weight individuals, the hypothesis was soon adapted to other systems, becoming one of the core assumptions of the Developmental Origins of Adult Health and Disease (DOHaD) model. The central nervous system is also vulnerable to the effects of environmental variation during fetal or neonatal life. Many researchers have explored the effects of perinatal programming on the human neurodevelopment, and some aspects of the brain structure and/or functioning (such as cognitive function, physiological reactivity to stress, and the risk for behavioral disorders or psychopathology) were shown to be modifiable by the exposure to certain adverse events early in life such as neonatal infections, exposure to gestational psychosocial stress, nutrition during gestation, exposure to drugs, or tobacco smoking during pregnancy. Until recently, most studies focused on birth weight as a strong surrogate of the intrauterine environment, investigating the effects of low birth weight (as a marker of suboptimal fetal environment) on a variety of neurodevelopmental outcomes. Despite the fact that literature reviews on this topic are as old as 1940, the more recent retrospective studies are summarized in this chapter

  12. Plague studies*

    PubMed Central

    Pollitzer, R.

    1953-01-01

    In examining the control and prevention of plague, the author pays particular attention to the control of commensal rodents and their fleas. The various rat poisons in current use, their efficacy and practical application, and the dangers involved in their manipulation are described in great detail. The author also discusses other anti-rodent measures such as fumigation, rat-proofing, sanitation, protection of food, etc. The second part of the study deals with: vector control—the outstanding value of DDT application in rodent-flea control is emphasized—, the direct control of bubonic and pneumonic plague, and the control of the spread of plague at a distance. PMID:20603968

  13. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1957-01-01

    Discussing the symptomatology of cholera, the author deals first with the incubation period, the clinical types, choleraic diarrhoea, and cholerine; he then considers in detail the various stages of cholera gravis and the relapses and complications that may be met. This is followed by sections on diagnosis and differential diagnosis, and on prognosis and the various factors influencing it. The author's highly detailed review of the treatment of cholera which concludes this study is divided into three parts, dealing with attempts at specific therapy, with infusion treatment, and with adjuvant treatment. PMID:13426761

  14. Anticorrosion studies

    NASA Technical Reports Server (NTRS)

    Boerio, J.

    1986-01-01

    The aging behavior of chemically bonded interfaces between metals and pottants, such as ethylene vinyl acetate (EVA) was studied using the Dow Corning primer systems. It was observed that the primers seem to function as anticorrosive agents on metal surfaces. It was demonstrated that EVA, and the A-11861 EVA/glass primer stops corrosion of the aluminum used on the back surfaces of crystalline silicon solar cells. However, this same treatment does not work for the aluminum on the back surfaces of amorphous silicon solar cells.

  15. Anticorrosion studies

    NASA Astrophysics Data System (ADS)

    Boerio, J.

    The aging behavior of chemically bonded interfaces between metals and pottants, such as ethylene vinyl acetate (EVA) was studied using the Dow Corning primer systems. It was observed that the primers seem to function as anticorrosive agents on metal surfaces. It was demonstrated that EVA, and the A-11861 EVA/glass primer stops corrosion of the aluminum used on the back surfaces of crystalline silicon solar cells. However, this same treatment does not work for the aluminum on the back surfaces of amorphous silicon solar cells.

  16. Cholera studies*

    PubMed Central

    Swaroop, S.; Pollitzer, R.

    1955-01-01

    In this study, figures relating to cholera deaths occurring in individual countries, from 1900 to 1952, are recorded as well as the incidence of the disease from 1923 up to the present time. The mode of spread of cholera from its endemic home in India to outside countries is described in relation to favourable seasons, main routes followed by the infection, and the role played by large religious gatherings. The incidence of the disease in the various seaports infected within recent years is discussed. PMID:14364186

  17. Ethnobotanical Study.

    PubMed

    2016-01-01

    Ethnobotany is the study of interrelationships between human cultures and plants, animals, and other organisms in their environment. It also creates an awareness of the link between biodiversity and cultural diversity. From the beginning of civilization, people have been using plants for various purposes like food, shelter, medicines, etc. Ethnobotanists play a key role in exploring these kinds of information from indigenous people which creates a gateway for formulating a novel drug. The content in this chapter deals with these aspects in an approachable manner. PMID:26939258

  18. Complementary Study

    SciTech Connect

    Yamada, H.

    2009-02-19

    In this lecture, it is emphasized that sufficient resolution of scientific issues for a fusion energy reactor can be given by complementary studies. Key scientific issues for a fusion energy reactor and ITER addressed by a complementary study in the Large Helical Device (LHD) are discussed. It should be noted that ITER is definitely a necessary condition but not a sufficient condition. Helical systems including stellarators and heliotrons are defined as alternative concepts. These approaches also aim at a fusion energy reactor based on their own concept and simultaneously benefit progress in tokamaks, more specifically ITER itself. The exact science to manage a 3-D geometry has been being developed in helical systems. A physical model with much accuracy and breadth will demonstrate its applicability to ITER. Topics to validate ''complementary'' approaches such as 3-D equilibrium, interchange MHD mode, control of radial electric field and structure formation, dynamics of a magnetic island, density limit and edge plasmas are discussed. Complementary is not Supplementary. ITER is complementary to development of a helical fusion energy reactor as well. Complementary approaches transcend existing disciplinary horizons and enable big challenges.

  19. Nutritional studies

    NASA Technical Reports Server (NTRS)

    Rambaut, P. C.; Smith, M. C., Jr.; Wheeler, H. O.

    1975-01-01

    Detailed metabolic studies were conducted of the Apollo 16 and Apollo 17 flight crews, and the results are presented in tabular form. Intake and absorption data are also included. Apollo nutrient intakes were found to be characteristically hypocaloric. Estimates of body composition changes from metabolic balance data, from preflight and postflight weights and volumes, and from total body water and potassium provide no evidence for diminished caloric requirements during a flight. As observed during the Gemini Program and during periods of bed rest, measurements of bone density and metabolic balance confirm a tendency toward loss of skeletal tissue in weightlessness. No evidence exists that any inflight metabolic anomaly, including hypokalemia, was induced by marginal or deficient nutrient intakes. In general, the Apollo crewmen were well nourished and exhibited normal gastroenterological functions, although appetite was somewhat diminished and the organoleptic response to food was somewhat modified during flight.

  20. Plague studies*

    PubMed Central

    Pollitzer, R.

    1953-01-01

    Epidemiological aspects of (a) bubonic plague and (b) primary pneumonic plague are discussed separately in this study. The cause, spread, and persistence of bubonic outbreaks are dealt with. In the case of primary pneumonic plague, the author systematically reviews the factors influencing the spread of the disease: climatic and social conditions, infectivity of the patients, immunity, and control measures. In discussing the cause of pneumonic plague outbreaks, the author deals with the possible influence of a special virulence of pneumonic strains, the role of the rodent and flea species involved, and the possibility of a pneumotropismus acquired by Pasteurella pestis. The periodicity (cyclical and secular) of bubonic plague epidemics is discussed with a view to the possible forecasting of future epidemics. The author indicates the influence of race, age, sex, and occupation on the incidence of both forms of the disease. PMID:13082391

  1. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1957-01-01

    In discussing prevention, the author deals first with the provision of permanently safe water, supplied from waterworks or wells, and with other improvements in environmental sanitation. Control of food and drinks, public health propaganda and education, and vaccination are also considered under this heading. The greater part of this study is devoted to suppressive measures, affecting the individual, the environment, and persons in the mass. Discussion of the isolation, detection and management of cholera patients, the management of contacts, and the management and treatment of carriers is followed by sections on, inter alia, disinfection, temporary improvements in water supplies, fly control, and personal prophylaxis. In dealing with mass prophylaxis, the author pays particular attention to vaccination. In the concluding sections he goes into the control of pilgrimages and local and international quarantine measures. PMID:13479774

  2. Plague studies*

    PubMed Central

    Pollitzer, R.

    1953-01-01

    The author examines in detail the symptomatology, diagnosis, and treatment of plague, and outlines the problem of the length of the incubation period. The clinical features commonly met with in all severely-affected plague patients, regardless of the primary localization of the infection, are described. The author then deals with the symptomatology and manifestations of bubonic plague as compared to those of primary pneumonic plague. The importance of a clinical diagnosis, from the point of view of prevention, is stressed, and the differential diagnosis of various forms of the disease is described. The study contains a detailed discussion of the respective merits of antibiotic treatment, serotherapy, and sulfonamide treatment. The author points out that the outstanding success of streptomycin and some other antibiotics will probably relegate the sulfonamides to the second rank in the treatment of bubonic plague. PMID:13082390

  3. Cholera studies*

    PubMed Central

    Pollitzer, R.

    1957-01-01

    The first section of this study deals with areas where cholera is endemic and with the conditions normally favouring endemicity. Turning next to epidemics, the author discusses their origin and types, climatic influences on them, their periodicity and the possibility of forecasting them, the role played in them by different serological races of V. cholerae, and the causes of their decline. In a section on the factors governing the local spread of cholera, he considers contact and water-borne infection; the role of contaminated food and drink, of fomites, of flies, and of carriers; and the incidence according to sex, age, race, and occupation. The last part deals with factors governing the spread of cholera over longer distances, and includes discussion of the effect of movements of individuals and groups and of assemblies of the population on pilgrimages or at religious festivals. PMID:13472431

  4. Systems Studies

    SciTech Connect

    Graham, R.L.

    1998-03-17

    The Systems Studies Activity had two objectives: (1) to investigate nontechnical barriers to the deployment of biomass production and supply systems and (2) to enhance and extend existing systems models of bioenergy supply and use. For the first objective, the Activity focused on existing bioenergy markets. Four projects were undertaken: a comparative analysis of bioenergy in Sweden and Austria; a one-day workshop on nontechnical barriers jointly supported by the Production Systems Activity; the development and testing of a framework for analyzing barriers and drivers to bioenergy markets; and surveys of wood pellet users in Sweden, Austria and the US. For the second objective, two projects were undertaken. First, the Activity worked with the Integrated BioEnergy Systems (TBS) Activity of TEA Bioenergy Task XIII to enhance the BioEnergy Assessment Model (BEAM). This model is documented in the final report of the IBS Activity. The Systems Studies Activity contributed to enhancing the feedstock portion of the model by developing a coherent set of willow, poplar, and switchgrass production modules relevant to both the US and the UK. The Activity also developed a pretreatment module for switchgrass. Second, the Activity sponsored a three-day workshop on modeling bioenergy systems with the objectives of providing an overview of the types of models used to evaluate bioenergy and promoting communication among bioenergy modelers. There were nine guest speakers addressing different types of models used to evaluate different aspects of bioenergy, ranging from technoeconomic models based on the ASPEN software to linear programming models to develop feedstock supply curves for the US. The papers from this workshop have been submitted to Biomass and Bioenergy and are under editorial review.

  5. Noncentrosymmetric superconductivity in a clean crystal of type II superconductor Bi-Pd

    NASA Astrophysics Data System (ADS)

    Ramakrishnan, Srinivasan; Pratap, Bhanu; Thamizhavel, A.

    2016-02-01

    In this work, we present the bulk superconductivity of a high-quality single crystal of monoclinic BiPd (α-BiPd, space group P21) below 3.8 K by studying its electrical resistivity, magnetic susceptibility, and heat capacity. This is the cleanest noncentrosymmetric superconductor (NCS) that display anisotropy due to spin-orbit scattering and also exhibits unusual superconducting properties due to s and p wave mixing as evidenced by the observation of Andreev bound state and multiple energy gaps via point contact measurements. In addition, Fermi surface studies suggest multiband superconductivity in this compound. Penetration depth studies and NQR investigations support mixing of s and p wave Copper paring in this crystal. Moroever, Muon spin rotation measurements indicate strong field dependence of the Ginzburg- Landau coefficient of this superconductor. Unusual pairing and multiband superconductivity are extremely sensitive to disorder and they can be observed only in cleanest (RRR > 170) single crystals.

  6. Optical and Nuclear Spin Spectroscopy in PRASEODYMIUM(3+):LANTHANUM Fluoride by Optical Pumping

    NASA Astrophysics Data System (ADS)

    Wald, Lawrence Leroy

    A Stark Modulated Optical Pumping (SMOP) technique was used as a sensitive probe of optical hole-burning to study the effects of nuclear spin interactions in Pr ^{3+}:LaF_3. The results of two experiments are reported. In the first experiment, the SMOP technique is applied for optical detection of the NQR spectrum of the Pr^{3+} optical ground state. Frequency and linewidth variations of the Pr ^{3+} ground state hyperfine levels for different positions within the main ^3 H_4(Gamma1) -^1D_2(Gamma 1) inhomogeneous optical line and satellite transitions of Pr^{3+}:LaF _3 are observed. A linear increase in the broadening of the Pr^{3+} hyperfine transitions, without a shift of central frequency, is measured as the laser is tuned toward the wings of the inhomogeneous optical transition. The linear variation is attributed to electric quadrupole broadening caused by changes in local density of point defects across the Stark broadened optical transition. The optically detected NQR spectra of the satellite transitions associated with Pr ion pairs are shifted in frequency, and for most satellites are narrower in width than the NQR spectra found in the wings of the main inhomogeneous optical line. In the second experiment, direct evidence for the presence of a spin diffusion barrier or "frozen core" in Pr^{3+}:LaF _3 is observed by examining the cross relaxation between the Pr and F nuclei in a magnetic field chosen so that a pair of the optical ground state Pr^ {3+} hyperfine energy levels matches the F splitting or a multiple of the F splitting. This level crossing condition allows resonant flip-flop interactions with the nearest neighbor frozen core fluorine spins to re-populate Pr^{3+} hyperfine levels emptied by laser hole-burning, and is detected as enhanced absorption of the laser beam. The coupling of core fluorine spins to bulk fluorine spins during Pr-F cross-relaxation is measured by NMR of the bulk fluorine spin magnetization. The rate of cross relaxation between

  7. Apparent spin-spin relaxation times, T 2★, of some nitrogen compounds using a super-regenerative nuclear quadrupole spectrometer

    NASA Astrophysics Data System (ADS)

    Trepanier, R. J.; Whitehead, M. A.

    The T 2★ of hexainethylenetetramine, C 6H 12 N 4, and sodium nitrite, NaNO 2, at 297°K and 77°K, and of 4-methoxy analine, C 5H 9 NO, at 297°K are reported. Two different nitrogen super-regenerative N.Q.R. spectrometers were used. Two different techniques for obtaining T 2★ were used: one measured the shift in signal detection threshold quench frequency with changing sample mass; the other measured the change in signal intensity for a small change of quench frequency near threshold. The importance of quench frequency studies and spectrometer construction for signal detection are discussed.

  8. 14N quadrupole resonance and 1H T1 dispersion in the explosive RDX.

    PubMed

    Smith, John A S; Blanz, Martin; Rayner, Timothy J; Rowe, Michael D; Bedford, Simon; Althoefer, Kaspar

    2011-12-01

    The explosive hexahydro-1,3,5-trinitro-s-triazine (CH2-N-NO2)3, commonly known as RDX, has been studied by 14N NQR and 1H NMR. NQR frequencies and relaxation times for the three ν+ and ν- lines of the ring 14N nuclei have been measured over the temperature range 230-330 K. The 1H NMR T1 dispersion has been measured for magnetic fields corresponding to the 1H NMR frequency range of 0-5.4 M Hz. The results have been interpreted as due to hindered rotation of the NO2 group about the N-NO2 bond with an activation energy close to 92 kJ mol(-1). Three dips in the 1H NMR dispersion near 120, 390 and 510 kHz are assigned to the ν0, ν- and ν+ transitions of the 14NO2 group. The temperature dependence of the inverse line-width parameters T2∗ of the three ν+ and ν- ring nitrogen transitions between 230 and 320 K can be explained by a distribution in the torsional oscillational amplitudes of the NO2 group about the N-NO2 bond at crystal defects whose values are consistent with the latter being mainly edge dislocations or impurities in the samples studied. Above 310 K, the 14N line widths are dominated by the rapid decrease in the spin-spin relaxation time T2 due to hindered rotation of the NO2 group. A consequence of this is that above this temperature, the 1H T1 values at the quadrupole dips are dominated by the spin mixing time between the 1H Zeeman levels and the combined 1H and 14N spin-spin levels. PMID:21978662

  9. Fostering Effective Studying and Study Planning with Study Questions

    ERIC Educational Resources Information Center

    Wilhelm, Pascal; Pieters, Jules M.

    2007-01-01

    In a course on biological psychology and neuropsychology, study questions were provided that also appeared as test questions in the course exam. This method was introduced to support students in active processing and reproduction of the study texts, and study planning. Data were gathered to test the hypothesis that study question use would be…

  10. Case Study: Testing with Case Studies

    ERIC Educational Resources Information Center

    Herreid, Clyde Freeman

    2015-01-01

    This column provides original articles on innovations in case study teaching, assessment of the method, as well as case studies with teaching notes. This month's issue discusses using case studies to test for knowledge or lessons learned.

  11. AGRICULTURAL HEALTH STUDY/PESTICIDE EXPOSURE STUDY

    EPA Science Inventory

    The Agricultural Health Study (AHS) is a prospective epidemiologic study of a large cohort of pesticide applicators and their spouses in Iowa and North Carolina. The Pesticide Exposure Study is a sub-study to evaluate exposure factors and to provide data to assess exposure cla...

  12. Authentication of Medicines Using Nuclear Quadrupole Resonance Spectroscopy.

    PubMed

    Chen, Cheng; Zhang, Fengchao; Barras, Jamie; Althoefer, Kaspar; Bhunia, Swarup; Mandal, Soumyajit

    2016-01-01

    The production and sale of counterfeit and substandard pharmaceutical products, such as essential medicines, is an important global public health problem. We describe a chemometric passport-based approach to improve the security of the pharmaceutical supply chain. Our method is based on applying nuclear quadrupole resonance (NQR) spectroscopy to authenticate the contents of medicine packets. NQR is a non-invasive, non-destructive, and quantitative radio frequency (RF) spectroscopic technique. It is sensitive to subtle features of the solid-state chemical environment and thus generates unique chemical fingerprints that are intrinsically difficult to replicate. We describe several advanced NQR techniques, including two-dimensional measurements, polarization enhancement, and spin density imaging, that further improve the security of our authentication approach. We also present experimental results that confirm the specificity and sensitivity of NQR and its ability to detect counterfeit medicines. PMID:26841409

  13. Spin dynamics in CuO and Cu[sub 1[minus][ital x

    SciTech Connect

    Carretta, P.; Corti, M.; Rigamonti, A. )

    1993-08-01

    [sup 63]Cu nuclear quadrupole resonance (NQR), nuclear antiferromagnetic resonance (AFNMR), and spin-lattice relaxation, as well as [sup 7]Li NMR and relaxation measurements in CuO and in Cu[sub 1[minus][ital x

  14. 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.

  15. The application of frequency swept pulses for the acquisition of nuclear quadrupole resonance spectra

    NASA Astrophysics Data System (ADS)

    Rossini, Aaron J.; Hamaed, Hiyam; Schurko, Robert W.

    2010-09-01

    The acquisition of nuclear quadrupole resonance (NQR) spectra with wideband uniform rate and smooth truncation (WURST) pulses is investigated. 75As and 35Cl NQR spectra acquired with the WURST echo sequence are compared to those acquired with standard Hahn-echo sequences and echo sequences which employ composite refocusing pulses. The utility of WURST pulses for locating NQR resonances of unknown frequency is investigated by monitoring the integrated intensity and signal to noise of 35Cl and 75As NQR spectra acquired with transmitter offsets of several hundreds kilohertz from the resonance frequencies. The WURST echo sequence is demonstrated to possess superior excitation bandwidths in comparison to the pulse sequences which employ conventional monochromatic rectangular pulses. The superior excitation bandwidths of the WURST pulses allows for differences in the characteristic impedance of the receiving and excitation circuits of the spectrometer to be detected. Impedance mismatches have previously been reported by Marion and Desvaux [D.J.Y. Marion, H. Desvaux, J. Magn. Reson. (2008) 193(1) 153-157] and Muller et al. [M. Nausner, J. Schlagnitweit, V. Smrecki, X. Yang, A. Jerschow, N. Muller, J. Magn. Reson. (2009) 198(1) 73-79]. In this regard, WURST pulse sequences may afford an efficient new method for experimentally detecting impedance mismatches between receiving and excitation circuits, allowing for the optimization of solids and solution NMR and NQR spectrometer systems. The use of the Carr-Purcell Meiboom-Gill (CPMG) pulse sequence for signal enhancement of NQR spectra acquired with WURST pulses and conventional pulses is also investigated. Finally, the utility of WURST pulses for the acquisition of wideline NQR spectra is demonstrated by acquiring part of the 63/65Cu NQR spectrum of CuCN.

  16. Case Study: Writing a Journal Case Study

    ERIC Educational Resources Information Center

    Prud'homme-Genereux, Annie

    2016-01-01

    This column provides original articles on innovations in case study teaching, assessment of the method, as well as case studies with teaching notes. This month's issue describes incorporating a journal article into the classroom by first converting it into a case study.

  17. Ecological baseline studies

    NASA Technical Reports Server (NTRS)

    Vickers, D.

    1980-01-01

    Environmental studies of Merritt Island are discussed. Five areas of the island's ecology are examined. They include: a terrestrial community analyses, a plant community study, a small mammal population study, a rainfall study, and an ichthyological analyses.

  18. Mixed-radiation-field dosimetry utilizing Nuclear Quadrupole Resonance

    SciTech Connect

    Hintenlang, D.E.; Jamil, K.; Iselin, L.H.

    1992-01-01

    Radiation effects on urea, thiourea, guanidine carbonate and guanine sulfate were evaluated for both photon and neutron irradiations. Hydration of these materials typically provides a greatly increased sensitivity to both forms of radiation exposure, although not all materials lend themselves to this treatment without changing the chemical structure of the compound. Urea was found to be the most stable hydrated compound and provides the best sensitivity for quantifying radiation effects using NQR techniques. Urea permits a straight-forward quantification of each of the important parameters of the observed NQR signal, the FID. Several advanced data analysis methods were developed to assist in quantifying NQR spectra, both from urea and materials having more complex molecular structures, such as thiourea and guanidine sulfate. Unfortunately, these analysis techniques are frequently quite time consuming for the complex NQR spectra that result from some of these materials. The simpler analysis afforded by urea has therefore made it the prime candidate for an NQR dosimetry material. The moderate sensitivity of hydrated urea to photon irradiation does not permit this material to achieve the levels of performance required for a personnel dosimeter. It does, however, demonstrate acceptable sensitivity over dose ranges where it could provide a good biological dosimeter for several areas of radiation processing. The demonstrated photon sensitivity could permit hydrated urea to be used in applications such as food irradiation dosimetry. This material also exhibits a good sensitivity to neutron irradiation. The precise correlation between neutron exposure and the parameters of the resulting NQR spectra are currently being developed.

  19. Social Studies: Secondary Course of Study.

    ERIC Educational Resources Information Center

    Idaho State Dept. of Education, Boise.

    This course of study guide describes the social studies curriculum to be offered by Idaho schools for secondary students. The guide puts forth content requirements that local school districts need to meet. The following courses are covered: United States history, American government, and economics. The information for the courses includes a…

  20. German Studies in America. German Studies Notes.

    ERIC Educational Resources Information Center

    Sander, Volkmar; Osterle, Heinz D.

    This volume contains two papers, "German Studies in America," by Volkmar Sander, and "Historicism, Marxism, Structuralism: Ideas for German Culture Courses," by Heinz D. Osterle. The first paper discusses the position of German studies in the United States today. The greatest challenge comes from low enrollments; therefore, German departments must…

  1. LONGITUDINAL COHORT METHODS STUDIES

    EPA Science Inventory

    Accurate exposure classification tools are required to link exposure with health effects in epidemiological studies. Exposure classification for occupational studies is relatively easy compared to predicting residential childhood exposures. Recent NHEXAS (Maryland) study articl...

  2. Oxygen-17 and copper-63 NMR study of spindynamics in low- dimensional spin 1/2 antiferromagnets

    NASA Astrophysics Data System (ADS)

    Thurber, Kent Robert

    63Cu and 17O nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) experiments are reported on copper-oxide compounds related to high temperature superconductors that are nearly ideal realizations of spin 1/2 Heisenberg antiferromagnets with different geometries of the magnetic interactions: 1 dimensional spin chains, 2 dimensional planes, two coupled chains (two-leg ladder), and three coupled chains (three-leg ladder). Comparison of the spin-lattice relaxation rate, 1/T1, for 63Cu and 17O reveals the wave-vector, q, dependence of low-energy magnetic fluctuations, and 1/T2 G the Gaussian spin-spin relaxation rate provides information about the electron spin correlation length, ξ. In the 1d material, Sr 2CuO3, 171/T1(q = 0) ~ aT + bT2 over the whole temperature range 10 to 700 K. Frequency dependence measurements show that diffusive contributions dominate T1(q ~ 0) for the double chain 1d material, SrCuO2. For the undoped 2d copper oxide material, Sr2CuO2Cl2, we demonstrate that 17O 1/T1 measures the spin wave damping in the undoped antiferromagnet for short wavelengths. We find that the spin wave damping is small, clarifying one of the unique properties of these 2d copper-oxide antiferromagnetic materials: there is a wide temperature range where short range spin excitations exist with long lifetimes, without long range 3-dimensional order. The two-leg ladder materials, SrCu2O3 and A 14Cu24O41 (A = La,Sr,Ca), have a large energy gap for spin excitations. There is a crossover in magnetic fluctuations from temperatures below the spin gap to above the spin gap. For the doped two-leg ladders, the effective doping of the ladders changes with temperature, and this temperature is correlated to the magnetic spin gap energy. The three-leg ladder material, Sr2Cu3O5, demonstrates a crossover in the temperature dependence of the spin correlation length, ξ. At high temperatures, we find the ξ ~ 1/T behavior characteristic of a 1d structure (isolated three

  3. Effectiveness of Home Study.

    ERIC Educational Resources Information Center

    Diehl, Grover E.; And Others

    Home study has enjoyed a slow but steady growth in popularity and acceptance. The growth of independent home study may be attributed to both the realities of the present educational environment and the consistently positive results of the home study method. At least one researcher has suggested that the initially slow growth of home study may have…

  4. Advanced planetary studies

    NASA Technical Reports Server (NTRS)

    1978-01-01

    Eleven study tasks are described and key results are discussed for the following: advanced planning activity; cost estimation research; planetary missions performance handbooks-revisions; multiple discipline science assessment; asteroid workshop; galilean lander mission strategies; asteroid exploration study; ion drive transport capabilities; Mars strategy study; Venus surface sample return; and ion drive/solar sail assessment study.

  5. Southeastern Cancer Study Group: breast cancer studies

    SciTech Connect

    Smalley, R.V.; Bartolucci, A.A.; Moore, M.

    1983-12-01

    During the past 10 years, the Southeastern Cancer Study Group (SECSG) has been engaged in one major adjuvant study and three major advanced disease studies for patients with adenocarcinoma of the breast. The adjuvant study is demonstrating that six months of adjuvant CMF is the therapeutic equivalent of 12 months and that post-operative irradiation is of no added therapeutic benefit. In patients with advanced disease, a low dose 5 drug combination of CMFVP induces more objective responses than single agent 5FU, but improves survival only for those patients with liver metastases when compared to the sequential use of the same 5 single agents. The three drug combination, CAF, utilizing doxorubicin, induces more objective responses than low dose CMFVP, but it does not improve overall survival. The addition of a phase active combination, CAMELEON, (i.e., sequentially alternating therapy) of CAF has not improved the duration of disease control and survival for patients with liver metastases, lymphangitic and nodular lung metastases compared to CAF. Aggressive combination chemotherapeutic approaches to patients with advanced disease provide better and longer disease and tumor control but only marginal improvements in overall survival. Adding additional agents to a maximally tolerable regimen has not improved the therapeutic outcome.

  6. Habitat Study. Transect Study. [Environmental Education Units.

    ERIC Educational Resources Information Center

    Minneapolis Independent School District 275, Minn.

    These three documents outline teaching activities intended to involve children with their environment. Suggested preliminary studies to motivate and familiarize elementary school students with some characteristics of organisms and their physical environment are followed by descriptions of class activities that may be undertaken in the field.…

  7. Esophagram (Barium Swallow Study)

    MedlinePlus

    ... esophagram is a study that is completed in radiology. The test evaluates the esophagus. The esophagus is ... to wear. The study is completed in a radiology (x-ray/fluoroscopy) room. If a child is ...

  8. Excellence in Social Studies.

    ERIC Educational Resources Information Center

    Durfee, David A.

    1986-01-01

    Discusses a strategy for unifying and improving the social studies curriculum through an "outcomes sought" approach. Outlines eight measurable qualities students completing social studies should have achieved. Discusses implications of this approach. (LP)

  9. Chemical Industry Bandwidth Study

    SciTech Connect

    none,

    2006-12-01

    The Chemical Bandwidth Study provides a snapshot of potentially recoverable energy losses during chemical manufacturing. The advantage of this study is the use of "exergy" analysis as a tool for pinpointing inefficiencies.

  10. The Study of Algae

    ERIC Educational Resources Information Center

    Rushforth, Samuel R.

    1977-01-01

    Included in this introduction to the study of algae are drawings of commonly encountered freshwater algae, a summary of the importance of algae, descriptions of the seven major groups of algae, and techniques for collection and study of algae. (CS)

  11. Case Study Teaching

    ERIC Educational Resources Information Center

    Herreid, Clyde Freeman

    2011-01-01

    This chapter describes the history of case study teaching, types of cases, and experimental data supporting their effectiveness. It also describes a model for comparing the efficacy of the various case study methods. (Contains 1 figure.)

  12. Satellite servicing economic study

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Previous studies have shown that satellite servicing is cost effective; however, all of these studies were of different formats, dollar year, learning rates, availability, etc. Therefore, it was difficult to correlate any useful trends from these studies. The reviewed study was initiated to correlate the economic data into a common data base, using a common set of assumptions. A selected set of existed funded programs was then analyzed to provide an independent analysis of the servicing options and potential economic benefits.

  13. Satellite servicing economic study

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Previous studies have shown that satellite servicing is cost effective; however, all of these studies were of different formats, dollar year, learning rates, availability, etc. Threfore, it was difficult to correlate any useful trends from these studies. The reviewed study was initiated to correlate the economic data into a common data base, using a common set of assumptions. A selected set of existed funded programs was then analyzed to provide an independent analysis of the servicing options and potential economic benefits.

  14. Chesapeake Bay study

    NASA Technical Reports Server (NTRS)

    Love, W. J.

    1972-01-01

    The objectives and scope of the Chesapeake Bay study are discussed. The physical, chemical, biological, political, and social phenomena of concern to the Chesapeake Bay area are included in the study. The construction of a model of the bay which will provide a means of accurately studying the interaction of the ecological factors is described. The application of the study by management organizations for development, enhancement, conservation, preservation, and restoration of the resources is examined.

  15. Critical Education Studies

    ERIC Educational Resources Information Center

    Boxley, Simon

    2015-01-01

    Education Studies as an academic discipline within HE in the UK is a contested area. One thing most Education Studies programmes might agree on is that they are "critical". But what is a genuinely critical Education Studies degree? And, how could such a programme survive within the hostile neoliberal environment of the contemporary UK?…

  16. American Studies through Folktales.

    ERIC Educational Resources Information Center

    Pedersen, E. Martin

    1992-01-01

    American studies is a combination of fields such as literature, history, philosophy, politics, and economics. This publication examines how the different fields of study relate to American studies through folklore or folktales. The use of folktales can provide better illustrations and understandings of U.S. individuals' heritage and evolution.…

  17. Home Start Evaluation Study.

    ERIC Educational Resources Information Center

    High/Scope Educational Research Foundation, Ypsilanti, MI.

    Case studies of seven Home Start programs are given as the third section of an evaluation study. Communities involved are Huntsville, Alabama; Fairbanks, Alaska; Fort Defiance, Arizona; Dardanelle, Arkansas; Wichita, Kansas; Gloucester, Massachusetts; and Reno, Nevada. Although each study varies in format, each describes in detail the degree and…

  18. Jefferson Township Schools Study.

    ERIC Educational Resources Information Center

    Dayton Univ., OH. Office of Educational Services.

    This report presents a study that examines the possibility of reorganizing the Jefferson Township (Ohio) Schools' junior high and high school from their present 7-9/10-12 configuration to a 7-8/9-12 grade plan. Data for the study were gathered through 1) a facilities study of the junior high and high school to examine space availability, present…

  19. Social Psychoanalytic Disability Studies

    ERIC Educational Resources Information Center

    Goodley, Dan

    2011-01-01

    This paper explores connections and tensions between psychoanalysis and disability studies. The first part of the paper considers contemporaneous engagements with the psyche by a number of disability studies writers. These scholars have remained accountable to a politicised disability studies but have pushed for critical encounters with the…

  20. Graduate Liberal Studies.

    ERIC Educational Resources Information Center

    Brown, Peggy, Ed.

    1982-01-01

    An article on graduate liberal studies (GLS) and descriptions of GLS programs are presented. In "The Concept of Graduate Liberal Studies," Allie M. Frazier considers GLS curricular offerings, characteristics of students pursuing these studies, and the future of GLS. GLS degree programs allow adults to pursue a liberal education, which is seen as a…

  1. Cave Water Studies.

    ERIC Educational Resources Information Center

    O'Keefe, Elizabeth S.

    1996-01-01

    Describes a comparative study project where seventh grade students tested water samples from 10 cave sites that had been tested 24 years ago in a study that had attempted to determine if pollution in the environment had reached cave water. Discusses lab skills and some results of the study. (JRH)

  2. Centering on Independent Study.

    ERIC Educational Resources Information Center

    Miller, Stephanie

    Independent study is an instructional approach that can have enormous power in the classroom. It can be used successfully with students at all ability levels, even though it is often associated with gifted students. Independent study is an opportunity for students to study a subject of their own choosing under the guidance of a teacher. The…

  3. Developing Environmental Study Areas.

    ERIC Educational Resources Information Center

    Wert, Jonathan M.

    This publication is designed to help the teacher in developing environmental study areas. Numerous examples of study areas, including airports, lakes, shopping centers, and zoos, are listed. A current definition of environmental study areas is given and guidelines for their development and identification are included. The appendix, which comprises…

  4. Why Study Italian?

    ERIC Educational Resources Information Center

    Haines, Charles

    1978-01-01

    One studies Italian for the same reason one studies any language--to become educated. Even more than for art and music, Italian is necessary for literature. Dante must be read, and in the original. Further, we study Italian to know our cultural roots and heritage. (AMH)

  5. Qualitative Studies: Historiographical Antecedents.

    ERIC Educational Resources Information Center

    Mills, Rilla Dean

    This paper provides an overview of qualitative studies' antecedents among historiographers and of the positivist tide which nearly engulfed them. Humans live by interpretations. The task of social science--the basic task of qualitative studies--is to study these interpretations so that we can better understand the meanings which people use to…

  6. Defining (Conceptualizing) Social Studies.

    ERIC Educational Resources Information Center

    Shaver, James P.

    1990-01-01

    Critiques James Barth, Robert Barr, and Sam Shermis' three social studies traditions theory and National Commission on Social Studies task force report. Argues first falsely splits essential social studies components; second creates a curricular hodgepodge. Highlights need to consider values as both affective and cognitive and to create…

  7. Professors' Irritating Behavior Study

    ERIC Educational Resources Information Center

    Malikow, Max

    2007-01-01

    The purpose of this study was to quantify the irritating behaviors of professors as experienced and reported by 232 Le Moyne College students. In this study, "irritating behavior" was understood as "actions that vex, annoy, bother, pester, frustrate, or provoke anger." The survey used in this study was developed by Larry M. Ludewig, Ph.D.,…

  8. Nebraska Social Studies Statutes.

    ERIC Educational Resources Information Center

    Nebraska State Dept. of Education, Lincoln.

    This booklet lists the laws that relate to Nebraska social studies. The volume is intended for administrators, teachers, and curriculum planners to assist them to do a more thorough job of planning social studies programs. The Nebraska Social Studies Statutes are designed to be a primary tool in developing a district's curriculum, as they speak to…

  9. WISCONSIN LONGITUDINAL STUDY (WLS)

    EPA Science Inventory

    The Wisconsin Longitudinal Study (WLS) is a long-term study of a random sample of 10,317 men and women who graduated from Wisconsin high schools in 1957. The WLS provides an opportunity to study of the life course, intergenerational transfers and relationships, family functioning...

  10. The Georgia Centenarian Study.

    ERIC Educational Resources Information Center

    Poon, Leonard W.; And Others

    1992-01-01

    Presents theoretical rationale, hypotheses, models, and methods and procedures of Georgia Centenarian Study, interdisciplinary study of oldest-old which began in 1988 to investigate adaptational characteristics of long-lived individuals. Introduces other articles in journal issue: first four reports of study, summarizing data collected in first…

  11. Mars Aerocapture Systems Study

    NASA Technical Reports Server (NTRS)

    Wright, Henry S.; Oh, David Y.; Westhelle, Carlos H.; Fisher, Jody L.; Dyke, R. Eric; Edquist, Karl T.; Brown, James L.; Justh, Hilary L.; Munk, Michelle M.

    2006-01-01

    Mars Aerocapture Systems Study (MASS) is a detailed study of the application of aerocapture to a large Mars robotic orbiter to assess and identify key technology gaps. This study addressed use of an Opposition class return segment for use in the Mars Sample Return architecture. Study addressed mission architecture issues as well as system design. Key trade studies focused on design of aerocapture aeroshell, spacecraft design and packaging, guidance, navigation and control with simulation, computational fluid dynamics, and thermal protection system sizing. Detailed master equipment lists are included as well as a cursory cost assessment.

  12. Advanced Clothing Studies

    NASA Technical Reports Server (NTRS)

    Orndoff, Evelyne; Poritz, Darwin

    2014-01-01

    All human space missions require significant logistical mass and volume that add an unprecedented burden on longduration missions beyond low-Earth orbit. For these missions with limited cleaning resources, a new wardrobe must be developed to reduce this logistical burden by reducing clothing mass and extending clothing wear. The present studies have been undertaken, for the first time, to measure length of wear and to assess the acceptance of such extended wear. Garments in these studies are commercially available exercise T-shirts and shorts, routine-wear T-shirts, and longsleeved pullover shirts. Fabric composition (cotton, polyester, light-weight, superfine Merino wool, modacrylic, cotton/rayon, polyester/Cocona, modacrylic/Xstatic, modacrylic/rayon, modacrylic/lyocell/aramid), construction (open knit, tight knit, open weave, tight weave), and finishing treatment (none, quaternary ammonium salt) are the independent variables. Eleven studies are reported here: five studies of exercise T-shirts, three of exercise shorts, two of routine wear Tshirts, and one of shirts used as sleep-wear. All studies are conducted in a climate-controlled environment, similar to a space vehicle's. For exercise clothing, study participants wear the garments during aerobic exercise. For routine wear clothing, study participants wear the T-shirts daily in an office or laboratory. Daily questionnaires collected data on ordinal preferences of nine sensory elements and on reason for retiring a used garment. Study 1 compares knitted cotton, polyester, and Merino exercise T-shirts (61 participants), study 2, knitted polyester, modacrylic, and polyester/Cocona exercise T-shirts (40 participants), study 3, cotton and polyester exercise shorts, knitted and woven (70 participants), all three using factorial experimental designs with and without a finishing treatment, conducted at the Johnson Space Center, sharing study participants. Study 4 compares knitted polyester and ZQ Merino exercise T

  13. Mysore study: A study of suicide notes

    PubMed Central

    Namratha, P.; Kishor, M.; Sathyanarayana Rao, T. S.; Raman, Rajesh

    2015-01-01

    Background: Suicide is one of the leading causes of preventable deaths. Recent data suggest South India as one of the regions with highest suicide rates in the world. In 2013, 134,799 people committed suicide in India according to the statistics released by the National Crime Records Bureau. Suicide note is one of the most important sources to understand suicide, which may be beneficial in suicide prevention. Studies on suicidal notes from this part of the world are sparse. Objective: The aim was to study the themes in suicide notes that might be useful in prevention strategies. Materials and Methods: A descriptive study of all suicide notes of those individuals who committed suicide between 2010 and 2013 available with Police Department, Mysore district was obtained and analyzed. Results: A total of 22 suicide note were available. A majority of suicide note was in age group of 16–40 years (86%) and most were men (59%). All suicide notes were handwritten, the majority (70%) in regional language Kannada. Length of notes varied from just few words to few pages. Contents of suicide notes included apology/shame/guilt (80%), love for those left behind (55%) and instruction regarding practical affairs (23%). Most have blamed none for the act (50%). 23% mentioned that they are committing suicide to prove their innocence. 32% mentioned a last wish. Conclusion: The majority of suicidal note contained “guilt” which is a strong indicator of possible depression in deceased. Creating awareness about suicide among public and ensuring access to professionals trained in suicide prevention is need of the hour in this part of the world. PMID:26816426

  14. Investigation of Wavelet-Based Enhancements to Nuclear Quadrupole Resonance Explosives Detectors

    SciTech Connect

    Kercel, Stephen W.; Dress, William B.; Hibbs, Andrew D.; Barrall, Geoffrey A.

    1998-06-01

    Nuclear Quadrupole Resonance (NQR) is effective for the detection and identification of certain types of explosives such as RDX, PETN and TNT. In explosive detection, the NQR response of certain 14N nuclei present in the crystalline material is probed. The 14N nuclei possess a nuclear quadrupole moment which in the presence of an electric field gradient produces an energy level splitting which may be excited by radio-frequency magnetic fields. Pulsing on the sample with a radio signal of the appropriate frequency produces a transient NQR response which may then be detected. Since the resonant frequency is dependent upon both the quadrupole moment of the 14N nucleus and the nature of the local electric field gradients, it is very compound specific. Under DARPA sponsorship, the authors are using multiresolution methods to investigate the enhancement of operation of NQR explosives detectors used for land mine detection. For this application, NQR processing time must be reduced to less than one second. False alarm responses due to acoustic and piezoelectric ringing must be suppressed. Also, as TNT is the most prevalent explosive found in land mines, NQR detection of TNT must be made practical despite unfavorable relaxation tunes. All three issues require improvement in signal-to-noise ratio, and all would benefit from improved feature extraction. This paper reports some of the insights provided by multiresolution methods that can be used to obtain these improvements. It includes results of multiresolution analysis of experimentally observed NQR signatures for RDX responses and various false alarm signatures in the absence of explosive compounds.

  15. The case study approach

    PubMed Central

    2011-01-01

    The case study approach allows in-depth, multi-faceted explorations of complex issues in their real-life settings. The value of the case study approach is well recognised in the fields of business, law and policy, but somewhat less so in health services research. Based on our experiences of conducting several health-related case studies, we reflect on the different types of case study design, the specific research questions this approach can help answer, the data sources that tend to be used, and the particular advantages and disadvantages of employing this methodological approach. The paper concludes with key pointers to aid those designing and appraising proposals for conducting case study research, and a checklist to help readers assess the quality of case study reports. PMID:21707982

  16. Teleoperator Human Factors Study

    NASA Technical Reports Server (NTRS)

    1986-01-01

    An investigation of the spectrum of space teleoperation activities likely in the 1985 to 1995 decade focused on the resolution of critical human engineering issues and characterization of the technology effect on performance of remote human operators. The study began with the identification and documentation of a set of representative reference teleoperator tasks. For each task, technology, development, and design options, issues, and alternatives that bear on human operator performance were defined and categorized. A literature survey identified existing studies of man/machine issues. For each teleoperations category, an assessment was made of the state of knowledge on a scale from adequate to void. The tests, experiments, and analyses necessary to provide the missing elements of knowledge were then defined. A limited set of tests were actually performed, including operator selection, baseline task definition, control mode study, lighting study, camera study, and preliminary time delay study.

  17. Research Studies & Networks

    Cancer.gov

    These epidemiological studies may assist in evaluating associations between certain pharmaceuticals and disease risk and contain detailed information on pharmaceutical use and disease risk, including cancer.

  18. Xenia Spacecraft Study

    NASA Technical Reports Server (NTRS)

    Hopkins, Randy

    2009-01-01

    This slide presentation reviews the proposed design for the Xenia mission spacecraft. The goal of this study is to perform a mission concept study for the mission. Included in this study are: the overall ground rules and assumptions (GR&A), a mission analysis, the configuration, the mass properties, the guidance, Navigation and control, the proposed avionics, the power system, the thermal protection system, the propulsion system, and the proposed structures. Conclusions from the study indicate that the observatory fits within the Falcon 9 mass and volume envelope for launching from Omelek, the pointing, slow slewing, and fast slewing requirements and the thermal requirements are met.

  19. Human exploration mission studies

    NASA Technical Reports Server (NTRS)

    Cataldo, Robert L.

    1989-01-01

    The Office of Exploration has established a process whereby all NASA field centers and other NASA Headquarters offices participate in the formulation and analysis of a wide range of mission strategies. These strategies were manifested into specific scenarios or candidate case studies. The case studies provided a systematic approach into analyzing each mission element. First, each case study must address several major themes and rationale including: national pride and international prestige, advancement of scientific knowledge, a catalyst for technology, economic benefits, space enterprise, international cooperation, and education and excellence. Second, the set of candidate case studies are formulated to encompass the technology requirement limits in the life sciences, launch capabilities, space transfer, automation, and robotics in space operations, power, and propulsion. The first set of reference case studies identify three major strategies: human expeditions, science outposts, and evolutionary expansion. During the past year, four case studies were examined to explore these strategies. The expeditionary missions include the Human Expedition to Phobos and Human Expedition to Mars case studies. The Lunar Observatory and Lunar Outpost to Early Mars Evolution case studies examined the later two strategies. This set of case studies established the framework to perform detailed mission analysis and system engineering to define a host of concepts and requirements for various space systems and advanced technologies. The details of each mission are described and, specifically, the results affecting the advanced technologies required to accomplish each mission scenario are presented.

  20. Communications systems checkout study

    NASA Technical Reports Server (NTRS)

    Ginter, W. G.

    1972-01-01

    The results and conclusions of an engineering study of Space Station communications subsystem checkout are reported. The primary purpose of the study is to recommend specific guidelines and constraints for the design and utilization of the communications subsystem leading to a practical and effective means of onboard checkout implementation. Major study objectives are as follows: (1) identify candidate communications subsystem checkout concepts, (2) determine implementation impacts of feasible concepts, (3) evaluate practicality and effectiveness of alternative concepts, (4) propose baseline modifications to accommodate preferred concepts, and (5) recommend areas for additional investigation. In addition, study results are interpreted, where appropriate, in terms of their applicability to checkout of Shuttle-Orbiter communications subsystem.

  1. Access to space studies

    NASA Technical Reports Server (NTRS)

    Martin, James A.

    1993-01-01

    The National Aeronautics and Space Administration is currently considering possible directions in Earth-to-orbit vehicle development under a study called 'Access to Space.' This agency-wide study is considering commercial launch vehicles, human transportation, space station logistics, and other space transportation requirements over the next 40 years. Three options are being considered for human transportation: continued use of the Space Shuttle; development of a small personnel carrier (personnel logistics system (PLS)); or development of an advanced vehicle such as a single-stage-to-orbit (SSTO). Several studies related to the overall Access to Space study are reported in this document.

  2. Future Spacelift Requirements Study

    NASA Technical Reports Server (NTRS)

    1997-01-01

    This study addresses future space applications and the derived requirements these potential applications will have on future spacelift systems. This NASA sponsored activity is a comprehensive study of potential missions including those of the military, civil, and commercial users. The study objectively evaluated the key architectural requirements for future launch systems. The results of this study are technical, economic, and policy analyses of future spacelift systems. It is intended to assist NASA and DOD decision-makers in planning technical investments and establishing policy for future U.S. spacelift systems.

  3. Social Studies. Chapter Nineteen.

    ERIC Educational Resources Information Center

    Lussie, Rick; Stradley, Mary

    Methods are examined for developing an instructional program in social studies for students with mental disabilities. A natural arena for teaching social studies--the community--provides a setting where basic skills can be applied to increase students' knowledge of the social, economic, and political environments in which they will be…

  4. Spacing Studies in Peppers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Higher plant stand densities usually result in greater pepper fruit yields. While the impact of stand density on yield has been studied for bell and non-bell peppers, but very little information exists regarding implications on pesticide efficacy. The objective of these studies was to determine th...

  5. Brine stability study

    SciTech Connect

    Gary Garland

    2015-04-15

    This is a study of the brine formulations that we were using in our testing were stable over time. The data includes charts, as well as, all of the original data from the ICP-MS runs to complete this study.

  6. 1990 NACUBO Endowment Study.

    ERIC Educational Resources Information Center

    National Association of College and University Business Officers, Washington, DC.

    The 1990 Endowment Study of America's colleges and universities covered a broad variety of endowment issues of concern to trustees and administrators. The survey was mailed to 450 institutions and 369 institutions (82%) responded. Results of the study showed that 367 institutions had endowment assets totaling $60.1 billion. For fiscal year 1990,…

  7. MIXTURES FEASIBILITY STUDY

    EPA Science Inventory

    A number of studies have been conducted to address questions concerning the toxicity of "real world" mixtures of DBPs. These studies, which used either concentrates of drinking water or humic acid preparations treated with various disinfectants, were largely negative and had a nu...

  8. Independent Human Studies.

    ERIC Educational Resources Information Center

    Kaplan, Suzanne; Wilson, Gordon

    1978-01-01

    The Independent Human Studies program at Schoolcraft College offers an alternative method of earning academic credits. Students delineate an area of study, pose research questions, gather resources, synthesize the information, state the thesis, choose the method of presentation, set schedules, and take responsibility for meeting deadlines. (MB)

  9. Theorizing Iberian Studies

    ERIC Educational Resources Information Center

    Newcomb, Robert Patrick

    2015-01-01

    A growing number of scholars invested in Iberian Studies are asking how peninsular literary and cultural studies might be reimagined, and reinvigorated, by placing the Spanish and Portuguese canons into critical dialogue with each other, and with Galician, Catalan, Basque/Euskadi, and Latin American and North African immigrant writers, cultural…

  10. Nigerian Social Studies.

    ERIC Educational Resources Information Center

    Adeyemi, Michael B.

    1986-01-01

    Provides a brief history of Nigeria and describes the origin and development of present-day social studies instruction. Concludes that while Nigerian social studies instruction appears to be changing from the traditional passive approach to modern activity methods, instruction continues to be organized by traditional disciplines and motivated by…

  11. English Intonation Studies.

    ERIC Educational Resources Information Center

    Lewis, Jack Windsor

    This paper is a critical survey of the work of various linguists in the field of English intonation studies. Crystal's work is cited as being particularly influential in the author's work. It is argued that there is a lack of progress in this field because of a preoccupation on the part of scholars with their own studies and their application and…

  12. Cuban Studies Newsletter.

    ERIC Educational Resources Information Center

    Pittsburgh Univ., PA. University Center for International Studies.

    This is the first issue of the Cuban Studies Newsletter, a biannual publication designed to provide comprehensive and timely communication among those interested in Cuban Studies. The purpose of the newsletter stated in a recommendation by the International Conference on Cuban Bibliography and Acquisitions, April, 1970, is to promote the scholarly…

  13. [Qualitative case study].

    PubMed

    Debout, Christophe

    2016-06-01

    The qualitative case study is a research method which enables a complex phenomenon to be explored through the identification of different factors interacting with each other. The case observed is a real situation. In the field of nursing science, it may be a clinical decision-making process. The study thereby enables the patient or health professional experience to be conceptualised. PMID:27338694

  14. Study of strange nuclei

    SciTech Connect

    Chrien, R.E.

    1982-12-08

    A brief history of the discovery of hypernuclei is given and some recent hypernuclei studies are described. Topics include the study of p-shell hypernuclei, /sup 12/C (K/sup -/, ..pi../sup -/) experiment, and hypernuclear gamma rays. 13 references. (WHK)

  15. The Study of Teaching.

    ERIC Educational Resources Information Center

    Corrigan, Dean, Ed.

    This publication represents four years of work by the Commission on Implications of Recent Research on Teaching. An article by Henry Hermanowicz, "Studies of Teaching and Their Impact on Future Developments in Teacher Education," (ED 024 624) reviews recent critical examinations of teacher education, new developments in the systematic study of…

  16. Lesson Study: Beyond Coaching

    ERIC Educational Resources Information Center

    Lewis, Catherine; Perry, Rebecca; Foster, David; Hurd, Jacqueline; Fisher, Linda

    2011-01-01

    The authors assert that lesson study--a collaborative, teacher-led approach to learning from practice--offers a deeper, broader, more sustainable method of improving teacher practice than one-on-one coaching does. In lesson study, teachers and coaches of all levels of experience can work together, each bringing his or her own professional…

  17. Five year spinning study

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The USDA-ARS Cotton Quality Research Station (CQRS) has complete a comprehensive study of the relationship of cotton fiber properties to the quality of ring spun yarn. Cottons in this study demonstrated fiber quality traits that allow them to operate at high speeds on the latest generation of ring ...

  18. Library Studies I Workbook.

    ERIC Educational Resources Information Center

    Frost, William J.

    Developed for use in the Library Studies I component of the Library Studies Program at Bloomsburg University (Pennsylvania), this self-paced workbook is intended to acquaint students with the Harvey A. Andruss Library and help them develop information-seeking skills. The workbook is designed to be used in conjunction with an exercise book, and…

  19. Survey of Study Programs.

    ERIC Educational Resources Information Center

    Ellis, E. N.; Moodie, Allan G.

    This appendix contains the questionnaire, Survey of Study Programs, which was sent to the principals of the Vancouver secondary schools to determine what opportunities were provided for students to study independently. The thirteen questions are in short answer and "Yes/No" form. There is room available for comment. (See TM 000 969.) (MS)

  20. Asterisk Grade Study Report.

    ERIC Educational Resources Information Center

    Kokorsky, Eileen A.

    A study was conducted at Passaic County Community College (PCCC) to investigate the operation of a grading system which utilized an asterisk (*) grade to indicate progress in a course until a letter grade was assigned. The study sought to determine the persistence of students receiving the "*" grade, the incidence of cases of students receiving…

  1. SIAST Longitudinal Study.

    ERIC Educational Resources Information Center

    Sarkar, Gerlinde

    In 1991, the Saskatchewan Institute of Applied Science and Technology (SIAST) initiated a study of factors affecting student persistence, finding that high employment rates in particular sectors were related to higher rates of student attrition. In 1994, a follow-up study was conducted of the career/educational paths of 1,498 respondents from the…

  2. Simulation in International Studies

    ERIC Educational Resources Information Center

    Boyer, Mark A.

    2011-01-01

    Social scientists have long worked to replicate real-world phenomena in their research and teaching environments. Unlike our biophysical science colleagues, we are faced with an area of study that is not governed by the laws of physics and other more predictable relationships. As a result, social scientists, and international studies scholars more…

  3. Study Canada: International Outlook.

    ERIC Educational Resources Information Center

    Monahan, Robert L.; And Others

    This self-contained unit of study on Canada is one of a series which can be used to supplement secondary level courses of social studies, contemporary world problems, government, history, and geography. Developed by teachers, the unit focuses on international relations. A comparative approach is used which stresses understanding Canada from…

  4. COLD WEATHER PLUME STUDY

    EPA Science Inventory

    While many studies of power plant plume transport and transformation have been performed during the summer, few studies of these processes during the winter have been carried out. Accordingly, the U.S. Environmental Protection Agency and the Electric Power Research Institute join...

  5. Qualitative Studies in HRD.

    ERIC Educational Resources Information Center

    1999

    The first of the four papers in this symposium, "What Is It Like To Be an Independent HRD Consultant?" (Alexander Ardishvili), reports on a phenomenological study that investigated the experience of being an independent HRD (human resource development) consultant through interviews with 10 successful HRD consultants. The study identified eight…

  6. Contemporary American Indian Studies

    ERIC Educational Resources Information Center

    Larson, Sidner

    2009-01-01

    In his keynote address to the Fifth Annual American Indian Studies Consortium in 2005 David Wilkins began by commenting on earlier attempts to formally organize such a gathering in ways that might help establish and accredit Indian studies programs. He said he had the sense that the thrust of earlier meetings "was really an opportunity for Native…

  7. Managerial Accounting. Study Guide.

    ERIC Educational Resources Information Center

    Plachta, Leonard E.

    This self-instructional study guide is part of the materials for a college-level programmed course in managerial accounting. The study guide is intended for use by students in conjuction with a separate textbook, Horngren's "Accounting for Management Control: An Introduction," and a workbook, Curry's "Student Guide to Accounting for Management…

  8. Databases Improve Technical Studies

    ERIC Educational Resources Information Center

    Graube, Gabriele

    2004-01-01

    In Lower Saxony, technology studies as part of preparing technical education teachers for primary and partly for secondary education can be studied only at two universities--the Technical University of Brunswick and the University of Oldenburg. Technology education is not available at the Gymnasium (a type of secondary school leading to the…

  9. NACUBO Endowment Study, 1995.

    ERIC Educational Resources Information Center

    Cambridge Associates, Inc., Boston, MA.

    This report presents the results of the 1995 study of the performance and management of college and university endowments, based on 394 institutions providing data. A summary abstract provides an overview of performance and investment data; and Part 1 of the study provides a brief commentary covering endowment characteristics, historical…

  10. Energy conversion alternatives study

    NASA Technical Reports Server (NTRS)

    Shure, L. T.

    1979-01-01

    Comparison of coal based energy systems is given. Study identifies and compares various advanced energy conversion systems using coal or coal derived fuels for baselaoad electric power generation. Energy Conversion Alternatives Study (ECAS) reports provede government, industry, and general public with technically consistent basis for comparison of system's options of interest for fossilfired electric-utility application.