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Sample records for nuclear polarization applied

  1. Dynamic nuclear polarization in diamond

    NASA Astrophysics Data System (ADS)

    Nah, Seungjoo

    2016-07-01

    We study the dynamic nuclear polarization of nitrogen-vacancy (NV) centers in diamond through optical pumping. The polarization is enhanced due to the hyperfine interaction of nuclear spins as applied magnetic fields vary. This is a result of the averaging of excited states due to fast-phonon transitions in the excited states. The effect of dephasing, in the presence of a vibronic band, is shown to have little effect during the dynamic polarization.

  2. Optimizing dissolution dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Bornet, Aurélien; Jannin, Sami

    2016-03-01

    This article is a short review of some of our recent developments in dissolution dynamic nuclear polarization (d-DNP). We present the basic principles of d-DNP, and motivate our choice to step away from conventional approaches. We then introduce a modified d-DNP recipe that can be summed up as follows: Using broad line polarizing agents to efficiently polarize 1H spins. Increasing the magnetic field to 6.7 T and above. Applying microwave frequency modulation. Applying 1H-13C cross polarization. Transferring hyperpolarized solution through a magnetic tunnel.

  3. High frequency dynamic nuclear polarization.

    PubMed

    Ni, Qing Zhe; Daviso, Eugenio; Can, Thach V; Markhasin, Evgeny; Jawla, Sudheer K; Swager, Timothy M; Temkin, Richard J; Herzfeld, Judith; Griffin, Robert G

    2013-09-17

    During the three decades 1980-2010, magic angle spinning (MAS) NMR developed into the method of choice to examine many chemical, physical, and biological problems. In particular, a variety of dipolar recoupling methods to measure distances and torsion angles can now constrain molecular structures to high resolution. However, applications are often limited by the low sensitivity of the experiments, due in large part to the necessity of observing spectra of low-γ nuclei such as the I = 1/2 species (13)C or (15)N. The difficulty is still greater when quadrupolar nuclei, such as (17)O or (27)Al, are involved. This problem has stimulated efforts to increase the sensitivity of MAS experiments. A particularly powerful approach is dynamic nuclear polarization (DNP) which takes advantage of the higher equilibrium polarization of electrons (which conventionally manifests in the great sensitivity advantage of EPR over NMR). In DNP, the sample is doped with a stable paramagnetic polarizing agent and irradiated with microwaves to transfer the high polarization in the electron spin reservoir to the nuclei of interest. The idea was first explored by Overhauser and Slichter in 1953. However, these experiments were carried out on static samples, at magnetic fields that are low by current standards. To be implemented in contemporary MAS NMR experiments, DNP requires microwave sources operating in the subterahertz regime, roughly 150-660 GHz, and cryogenic MAS probes. In addition, improvements were required in the polarizing agents, because the high concentrations of conventional radicals that are required to produce significant enhancements compromise spectral resolution. In the last two decades, scientific and technical advances have addressed these problems and brought DNP to the point where it is achieving wide applicability. These advances include the development of high frequency gyrotron microwave sources operating in the subterahertz frequency range. In addition, low

  4. High Frequency Dynamic Nuclear Polarization

    PubMed Central

    Ni, Qing Zhe; Daviso, Eugenio; Can, Thach V.; Markhasin, Evgeny; Jawla, Sudheer K.; Swager, Timothy M.; Temkin, Richard J.; Herzfeld, Judith; Griffin, Robert G.

    2013-01-01

    Conspectus During the three decades 1980–2010, magic angle spinning (MAS) NMR developed into the method of choice to examine many chemical, physical and biological problems. In particular, a variety of dipolar recoupling methods to measure distances and torsion angles can now constrain molecular structures to high resolution. However, applications are often limited by the low sensitivity of the experiments, due in large part to the necessity of observing spectra of low-γ nuclei such as the I = ½ species 13C or 15N. The difficulty is still greater when quadrupolar nuclei, like 17O or 27Al, are involved. This problem has stimulated efforts to increase the sensitivity of MAS experiments. A particularly powerful approach is dynamic nuclear polarization (DNP) which takes advantage of the higher equilibrium polarization of electrons (which conventionally manifests in the great sensitivity advantage of EPR over NMR). In DNP, the sample is doped with a stable paramagnetic polarizing agent and irradiated with microwaves to transfer the high polarization in the electron spin reservoir to the nuclei of interest. The idea was first explored by Overhauser and Slichter in 1953. However, these experiments were carried out on static samples, at magnetic fields that are low by current standards. To be implemented in contemporary MAS NMR experiments, DNP requires microwave sources operating in the subterahertz regime — roughly 150–660 GHz — and cryogenic MAS probes. In addition, improvements were required in the polarizing agents, because the high concentrations of conventional radicals that are required to produce significant enhancements compromise spectral resolution. In the last two decades scientific and technical advances have addressed these problems and brought DNP to the point where it is achieving wide applicability. These advances include the development of high frequency gyrotron microwave sources operating in the subterahertz frequency range. In addition, low

  5. Cross-polarization for dissolution dynamic nuclear polarization.

    PubMed

    Batel, Michael; Däpp, Alexander; Hunkeler, Andreas; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias

    2014-10-21

    Dynamic nuclear polarization (DNP) in combination with subsequent dissolution of the sample allows the detection of low-γ nuclei in the solution state with a signal gain of up to tens of thousand times compared to experiments starting from Boltzmann conditions. The long polarization build-up times of typically more than one hour are a drawback of this technique. The combination of dissolution DNP with cross-polarization (CP) in the solid state was shown to have the potential to overcome this disadvantage. In this article we discuss the cross-polarization step under dissolution DNP conditions in more detail. We show that adiabatic half-passage pulses allow us to enhance the CP efficiency in power-limited DNP probes. As a low-power alternative to Hartmann-Hahn CP we also demonstrate the applicability of frequency-swept de- and re-magnetization pulses for polarization transfer via dipolar order. We investigate the implications and restrictions of the common solid-state DNP mechanisms to the DNP-CP technique and apply a spin-thermodynamic model based on the thermal-mixing mechanism. The model allows us to investigate the dynamics of the polarization levels in a system with two nuclear Zeeman reservoirs and explains the enhanced DNP efficiency upon solvent deuteration within a spin-thermodynamic picture. PMID:25182534

  6. Optimizing dissolution dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Bornet, Aurélien; Jannin, Sami

    2016-03-01

    This article is a short review of some of our recent developments in dissolution dynamic nuclear polarization (d-DNP). We present the basic principles of d-DNP, and motivate our choice to step away from conventional approaches. We then introduce a modified d-DNP recipe that can be summed up as follows:

  7. Optimizing dissolution dynamic nuclear polarization.

    PubMed

    Bornet, Aurélien; Jannin, Sami

    2016-03-01

    This article is a short review of some of our recent developments in dissolution dynamic nuclear polarization (d-DNP). We present the basic principles of d-DNP, and motivate our choice to step away from conventional approaches. We then introduce a modified d-DNP recipe that can be summed up as follows. PMID:26920826

  8. Polarized nuclear target based on parahydrogen induced polarization

    SciTech Connect

    D. Budker, M.P. Ledbetter, S. Appelt, L.S. Bouchard, B. Wojtsekhowski

    2012-12-01

    We discuss a novel concept of a polarized nuclear target for accelerator fixed-target scattering experiments, which is based on parahydrogen induced polarization (PHIP). One may be able to reach a 33% free-proton polarization in the ethane molecule. The potential advantages of such a target include operation at zero magnetic field, fast ({approx}100 HZ) polarization oscillation (akin to polarization reversal), and operation with large intensity of an electron beam.

  9. Polarized nuclear target based on parahydrogen induced polarization

    NASA Astrophysics Data System (ADS)

    Budker, D.; Ledbetter, M. P.; Appelt, S.; Bouchard, L. S.; Wojtsekhowski, B.

    2012-12-01

    We discuss a novel concept of a polarized nuclear target for accelerator fixed-target scattering experiments, which is based on parahydrogen induced polarization (PHIP). One may be able to reach a 33% free-proton polarization in the ethane molecule. The potential advantages of such a target include operation at zero magnetic field, fast (˜100 Hz) polarization oscillation (akin to polarization reversal), and operation with large intensity of an electron beam.

  10. THz Dynamic Nuclear Polarization NMR

    PubMed Central

    Nanni, Emilio A.; Barnes, Alexander B.; Griffin, Robert G.; Temkin, Richard J.

    2013-01-01

    Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The enhancement in NMR sensitivity can amount to a factor of well above 100, enabling faster data acquisition and greatly improved NMR measurements. With the increasing magnetic fields (up to 23 T) used in NMR research, the required frequency for DNP falls into the THz band (140–600 GHz). Gyrotrons have been developed to meet the demanding specifications for DNP NMR, including power levels of tens of watts; frequency stability of a few megahertz; and power stability of 1% over runs that last for several days to weeks. Continuous gyrotron frequency tuning of over 1 GHz has also been demonstrated. The complete DNP NMR system must include a low loss transmission line; an optimized antenna; and a holder for efficient coupling of the THz radiation to the sample. This paper describes the DNP NMR process and illustrates the THz systems needed for this demanding spectroscopic application. THz DNP NMR is a rapidly developing, exciting area of THz science and technology. PMID:24639915

  11. THz Dynamic Nuclear Polarization NMR.

    PubMed

    Nanni, Emilio A; Barnes, Alexander B; Griffin, Robert G; Temkin, Richard J

    2011-08-29

    Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The enhancement in NMR sensitivity can amount to a factor of well above 100, enabling faster data acquisition and greatly improved NMR measurements. With the increasing magnetic fields (up to 23 T) used in NMR research, the required frequency for DNP falls into the THz band (140-600 GHz). Gyrotrons have been developed to meet the demanding specifications for DNP NMR, including power levels of tens of watts; frequency stability of a few megahertz; and power stability of 1% over runs that last for several days to weeks. Continuous gyrotron frequency tuning of over 1 GHz has also been demonstrated. The complete DNP NMR system must include a low loss transmission line; an optimized antenna; and a holder for efficient coupling of the THz radiation to the sample. This paper describes the DNP NMR process and illustrates the THz systems needed for this demanding spectroscopic application. THz DNP NMR is a rapidly developing, exciting area of THz science and technology. PMID:24639915

  12. Dynamic Nuclear Polarization of 17O: Direct Polarization

    PubMed Central

    Michaelis, Vladimir K.; Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.

    2014-01-01

    Dynamic nuclear polarization of 17O was studied using four different polarizing agents – the biradical TOTAPOL, and the monoradicals trityl and SA-BDPA, as well as a mixture of the latter two. Field profiles, DNP mechanisms and enhancements were measured to better understand and optimize directly polarizing this low-gamma quadrupolar nucleus using both mono- and bi-radical polarizing agents. Enhancements were recorded < 88 K and were > 100 using the trityl (OX063) radical and < 10 with the other polarizing agents. The > 10,000 fold savings in acquisition time enabled a series of biologically relevant small molecules to be studied with small sample sizes and the measurement of various quadrupolar parameters. The results are discussed with comparison to room temperature studies and GIPAW quantum chemical calculations. These experimental results illustrate the strength of high field DNP and the importance of radical selection for studying low-gamma nuclei. PMID:24195759

  13. Polarization model applied to Uranian radio emission

    NASA Astrophysics Data System (ADS)

    Sawyer, C. B.; Neal, K. L.; Warwick, J. W.

    1991-04-01

    The total power and the degree of circular polarization as measured by the Planetary Radio Astronomy experiments on the Voyager spacecraft are modeled. For a source near the electron cyclotron frequency, the degree of circular polarization is determined by the angle between the wave vector and the field. It is shown that the observed strong circular polarization of Uranian smooth low-frequency (SLF) can be modeled as emission that is beamed along the direction of the magnetic field in a filled cone. The main observational constraints of SLF emission from Uranus are met by conjugate sources at about 21 deg from the magnetic equator.

  14. Development on dynamic nuclear polarized targets.

    SciTech Connect

    Penttila, S. I.

    2002-01-01

    Our interest in understanding the spin content of the nucleon has left its marks on the recent development, of the dynamic nuclear polarized (DNP) targets. This can be seen from the targets developed at CERN and SLAC for the measurement of the polarized spin structure functions in deep inelastic scattering. The results of the experiments indicated that less than 30% of the nucleon spin is carried by the quarks. This unpredicted small value initiated planning of new polarized target experiments to determine the gluon polarization on the nucleon using polarized real photons and polarized 'LiD targets. In several facilities very intense polarized photon beams are available at a wide energy range. During the next few years these photon beanis with DNP targets will be used to test the fundamental GDH sum rule. Other DNP target developments are also discussed.

  15. New versions of sources for nuclear polarized negative ion production

    SciTech Connect

    Dudnikov, V.G.; Shabalin, A.L. ); Wojtsekhowski, B.B. ); Belov, A.S.; Kuzik, V.E.; Plohinsky, Y.V.; Yakushev, V.P. )

    1992-10-05

    Several variants of sources for nuclear polarized negative ion production have been proposed and tested. The simple adaptation of a high intensity polarized proton source for nuclear polarized H[sup [minus

  16. In Situ Temperature Jump Dynamic Nuclear Polarization

    PubMed Central

    Joo, Chan-Gyu; Casey, Andrew; Turner, Christopher J.; Griffin, Robert G.

    2009-01-01

    Dynamic nuclear polarization is combined with temperature jump methods to develop a new 2D 13C- 13C NMR experiment that yields a factor or 100-170 increase insensitivity. The polaization step is performed at ∼100 K and the sample is subsequently melted with a 10.6 mm laser pulse to yield a sample with highly polarized 13C spins. 13C detected 2D 13C- 13C spectroscopy is performed in the usual manner. PMID:18942782

  17. Dynamic nuclear polarization polarizer for sterile use intent.

    PubMed

    Ardenkjaer-Larsen, Jan H; Leach, Andrew M; Clarke, Neil; Urbahn, John; Anderson, Denise; Skloss, Timothy W

    2011-10-01

    A novel polarizer based on the dissolution-dynamic nuclear polarization (DNP) method has been designed, built and tested. The polarizer differs from those previously described by being designed with sterile use intent and being compatible with clinical use. The main features are: (1) an integral, disposable fluid path containing all pharmaceuticals constituting a sterile barrier, (2) a closed-cycle cryogenic system designed to eliminate consumption of liquid cryogens and (3) multi-sample polarization to increase throughput. The fluid path consists of a vial with the agent to be polarized, a pair of concentric inlet and outlet tubes connected to a syringe with dissolution medium and a receiver, respectively. The fluid path can operate at up to 400 K and 2.0 MPa and generates volumes as high as 100 mL. An inline filter removes the amount of electron paramagnetic agent in the final product by more than 100-fold in the case of [1-(13)C]pyruvate. The system uses a sorption pump in conjunction with a conventional cryocooler. The system operates through cycles of pumping to low temperature and regeneration of the sorption pump. The magnet accommodates four samples at the same time. A temperature of less than 1 K was achieved for 68 h (no sample heat loads) with a liquid helium volume of 2.4 L. The regeneration of the liquid helium could be achieved in less than 10 h, and the transition to cold (< 1.2 K) was achieved in less than 90 min. A solid state polarization of 36 ± 4% for [1-(13)C]pyruvic acid was obtained with only 10 mW of microwave power. The loading of a sample adds less than 50 J of heat to the helium bath by introducing the sample over 15 min. The heat load imposed on the helium bath during dissolution was less than 70 J. The measured liquid state polarization was 18 ± 2%. PMID:21416540

  18. Voltage-induced conversion of helical to uniform nuclear spin polarization in a quantum wire

    NASA Astrophysics Data System (ADS)

    Kornich, Viktoriia; Stano, Peter; Zyuzin, Alexander A.; Loss, Daniel

    2015-05-01

    We study the effect of bias voltage on the nuclear spin polarization of a ballistic wire, which contains electrons and nuclei interacting via hyperfine interaction. In equilibrium, the localized nuclear spins are helically polarized due to the electron-mediated Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. Focusing here on nonequilibrium, we find that an applied bias voltage induces a uniform polarization, from both helically polarized and unpolarized spins available for spin flips. Once a macroscopic uniform polarization in the nuclei is established, the nuclear spin helix rotates with frequency proportional to the uniform polarization. The uniform nuclear spin polarization monotonically increases as a function of both voltage and temperature, reflecting a thermal activation behavior. Our predictions offer specific ways to test experimentally the presence of a nuclear spin helix polarization in semiconducting quantum wires.

  19. Demonstration of open-quantum-system optimal control in dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Sheldon, S.; Cory, D. G.

    2015-10-01

    Dynamic nuclear polarization (DNP) is used in nuclear magnetic resonance to transfer polarization from electron spins to nuclear spins. The resulting nuclear polarization enhancement can, in theory, be two or three orders of magnitude depending on the sample. In solid-state systems, however, there are competing mechanisms of DNP, which, when occurring simultaneously, reduce the net polarization enhancement of the nuclear spin. We present a simple quantum description of DNP and apply optimal control theory (OCT) with an open-quantum-system framework to design pulses that select one DNP process and suppress the others. We demonstrate experimentally an order of magnitude improvement in the DNP enhancement using OCT pulses.

  20. Nuclear Facilities and Applied Technologies at Sandia

    SciTech Connect

    Wheeler, Dave; Kaiser, Krista; Martin, Lonnie; Hanson, Don; Harms, Gary; Quirk, Tom

    2014-11-28

    The Nuclear Facilities and Applied Technologies organization at Sandia National Laboratories’ Technical Area Five (TA-V) is the leader in advancing nuclear technologies through applied radiation science and unique nuclear environments. This video describes the organization’s capabilities, facilities, and culture.

  1. Pulsed Dynamic Nuclear Polarization with Trityl Radicals.

    PubMed

    Mathies, Guinevere; Jain, Sheetal; Reese, Marcel; Griffin, Robert G

    2016-01-01

    Continuous-wave (CW) dynamic nuclear polarization (DNP) is now established as a method of choice to enhance the sensitivity in a variety of NMR experiments. Nevertheless, there remains a need for the development of more efficient methods to transfer polarization from electrons to nuclei. Of particular interest are pulsed DNP methods because they enable a rapid and efficient polarization transfer that, in contrast with CW DNP methods, is not attenuated at high magnetic fields. Here we report nuclear spin orientation via electron spin-locking (NOVEL) experiments using the polarizing agent trityl OX063 in glycerol/water at a temperature of 80 K and a magnetic field of 0.34 T. (1)H NMR signal enhancements up to 430 are observed, and the buildup of the local polarization occurs in a few hundred nanoseconds. Thus, NOVEL can efficiently dynamically polarize (1)H atoms in a system that is of general interest to the solid-state DNP NMR community. This is a first, important step toward the general application of pulsed DNP at higher fields. PMID:26651876

  2. Inhomogeneous dynamic nuclear polarization and suppression of electron polarization decay in a quantum dot

    NASA Astrophysics Data System (ADS)

    Wu, Na; Ding, Wenkui; Shi, Anqi; Zhang, Wenxian

    2016-08-01

    We investigate the dynamic nuclear polarization in a quantum dot. Due to the suppression of direct dipolar and indirect electron-mediated nuclear spin interactions by frequently injected electron spins, our analytical results under independent spin approximation agree well with quantum numerical simulations for a small number of nuclear spins. We find that the acquired nuclear polarization is highly inhomogeneous, proportional to the square of the local electron-nuclear hyperfine interaction constant. Starting from the inhomogeneously polarized nuclear spins, we further show that the electron polarization decay time can be extended 100 times even at a relatively low nuclear polarization.

  3. Medium polarization in asymmetric nuclear matter

    NASA Astrophysics Data System (ADS)

    Zhang, S. S.; Cao, L. G.; Lombardo, U.; Schuck, P.

    2016-04-01

    The influence of the medium polarization on the effective nuclear interaction of asymmetric nuclear matter is calculated in the framework of the induced interaction theory. The strong isospin dependence of the density and spin-density fluctuations is studied as it is driven by the interplay between the neutron and proton medium polarizations. Going from symmetric nuclear matter to pure neutron matter, the crossover of the induced interaction from attractive to repulsive in the spin-singlet state is determined as a function of the isospin imbalance. The density range in which the crossover occurs is also determined. For the spin-triplet state the induced interaction turns out to be always repulsive. The implications of the results for neutron star superfluid phases are briefly discussed.

  4. Microtesla MRI with dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Zotev, Vadim S.; Owens, Tuba; Matlashov, Andrei N.; Savukov, Igor M.; Gomez, John J.; Espy, Michelle A.

    2010-11-01

    Magnetic resonance imaging at microtesla fields is a promising imaging method that combines the pre-polarization technique and broadband signal reception by superconducting quantum interference device (SQUID) sensors to enable in vivo MRI at microtesla-range magnetic fields similar in strength to the Earth magnetic field. Despite significant advances in recent years, the potential of microtesla MRI for biomedical imaging is limited by its insufficient signal-to-noise ratio due to a relatively low sample polarization. Dynamic nuclear polarization (DNP) is a widely used approach that allows polarization enhancement by 2-4 orders of magnitude without an increase in the polarizing field strength. In this work, the first implementation of microtesla MRI with Overhauser DNP and SQUID signal detection is described. The first measurements of carbon-13 NMR spectra at microtesla fields are also reported. The experiments were performed at the measurement field of 96 μT, corresponding to Larmor frequency of 4 kHz for protons and 1 kHz for carbon-13. The Overhauser DNP was carried out at 3.5-5.7 mT fields using rf irradiation at 120 MHz. Objects for imaging included water phantoms and a cactus plant. Aqueous solutions of metabolically relevant sodium bicarbonate, pyruvate, alanine, and lactate, labeled with carbon-13, were used for NMR studies. All the samples were doped with TEMPO free radicals. The Overhauser DNP enabled nuclear polarization enhancement by factor as large as -95 for protons and as large as -200 for carbon-13, corresponding to thermal polarizations at 0.33 T and 1.1 T fields, respectively. These results demonstrate that SQUID-based microtesla MRI can be naturally combined with Overhauser DNP in one system, and that its signal-to-noise performance is greatly improved in this case. They also suggest that microtesla MRI can become an efficient tool for in vivo imaging of hyperpolarized carbon-13, produced by low-temperature dissolution DNP.

  5. Uncertainty minimization in NMR measurements of dynamic nuclear polarization of a proton target for nuclear physics experiments

    SciTech Connect

    Keller, Dustin M.

    2013-11-01

    A comprehensive investigation into the measurement uncertainty in polarization produced by Dynamic Nuclear Polarization is outlined. The polarization data taken during Jefferson Lab experiment E08-007 is used to obtain error estimates and to develop an algorithm to minimize uncertainty of the measurement of polarization in irradiated View the ^14NH_3 targets, which is readily applied to other materials. The target polarization and corresponding uncertainties for E08-007 are reported. The resulting relative uncertainty found in the target polarization is determined to be less than or equal to 3.9%.

  6. Rapid-melt Dynamic Nuclear Polarization

    NASA Astrophysics Data System (ADS)

    Sharma, M.; Janssen, G.; Leggett, J.; Kentgens, A. P. M.; van Bentum, P. J. M.

    2015-09-01

    In recent years, Dynamic Nuclear Polarization (DNP) has re-emerged as a means to ameliorate the inherent problem of low sensitivity in nuclear magnetic resonance (NMR). Here, we present a novel approach to DNP enhanced liquid-state NMR based on rapid melting of a solid hyperpolarized sample followed by 'in situ' NMR detection. This method is applicable to small (10 nl to 1 μl) sized samples in a microfluidic setup. The method combines generic DNP enhancement in the solid state with the high sensitivity of stripline 1 H NMR detection in the liquid state. Fast cycling facilitates options for signal averaging or 2D structural analysis. Preliminary tests show solid-state 1 H enhancement factors of up to 500 for H2O/D2O/d6-glycerol samples doped with TEMPOL radicals. Fast paramagnetic relaxation with nitroxide radicals, In nonpolar solvents such as toluene, we find proton enhancement factors up to 400 with negligible relaxation losses in the liquid state, using commercially available BDPA radicals. A total recycling delay (including sample freezing, DNP polarization and melting) of about 5 s can be used. The present setup allows for a fast determination of the hyper-polarization as function of the microwave frequency and power. Even at the relatively low field of 3.4 T, the method of rapid melting DNP can facilitate the detection of small quantities of molecules in the picomole regime.

  7. Dynamic Nuclear Polarization as Kinetically Constrained Diffusion

    NASA Astrophysics Data System (ADS)

    Karabanov, A.; Wiśniewski, D.; Lesanovsky, I.; Köckenberger, W.

    2015-07-01

    Dynamic nuclear polarization (DNP) is a promising strategy for generating a significantly increased nonthermal spin polarization in nuclear magnetic resonance (NMR) and its applications that range from medicine diagnostics to material science. Being a genuine nonequilibrium effect, DNP circumvents the need for strong magnetic fields. However, despite intense research, a detailed theoretical understanding of the precise mechanism behind DNP is currently lacking. We address this issue by focusing on a simple instance of DNP—so-called solid effect DNP—which is formulated in terms of a quantum central spin model where a single electron is coupled to an ensemble of interacting nuclei. We show analytically that the nonequilibrium buildup of polarization heavily relies on a mechanism which can be interpreted as kinetically constrained diffusion. Beyond revealing this insight, our approach furthermore permits numerical studies of ensembles containing thousands of spins that are typically intractable when formulated in terms of a quantum master equation. We believe that this represents an important step forward in the quest of harnessing nonequilibrium many-body quantum physics for technological applications.

  8. Rapid-melt Dynamic Nuclear Polarization.

    PubMed

    Sharma, M; Janssen, G; Leggett, J; Kentgens, A P M; van Bentum, P J M

    2015-09-01

    In recent years, Dynamic Nuclear Polarization (DNP) has re-emerged as a means to ameliorate the inherent problem of low sensitivity in nuclear magnetic resonance (NMR). Here, we present a novel approach to DNP enhanced liquid-state NMR based on rapid melting of a solid hyperpolarized sample followed by 'in situ' NMR detection. This method is applicable to small (10nl to 1μl) sized samples in a microfluidic setup. The method combines generic DNP enhancement in the solid state with the high sensitivity of stripline (1)H NMR detection in the liquid state. Fast cycling facilitates options for signal averaging or 2D structural analysis. Preliminary tests show solid-state (1)H enhancement factors of up to 500 for H2O/D2O/d6-glycerol samples doped with TEMPOL radicals. Fast paramagnetic relaxation with nitroxide radicals, In nonpolar solvents such as toluene, we find proton enhancement factors up to 400 with negligible relaxation losses in the liquid state, using commercially available BDPA radicals. A total recycling delay (including sample freezing, DNP polarization and melting) of about 5s can be used. The present setup allows for a fast determination of the hyper-polarization as function of the microwave frequency and power. Even at the relatively low field of 3.4T, the method of rapid melting DNP can facilitate the detection of small quantities of molecules in the picomole regime. PMID:26225439

  9. Dynamic nuclear polarization in a magnetic resonance force microscope experiment.

    PubMed

    Issac, Corinne E; Gleave, Christine M; Nasr, Paméla T; Nguyen, Hoang L; Curley, Elizabeth A; Yoder, Jonilyn L; Moore, Eric W; Chen, Lei; Marohn, John A

    2016-04-01

    We report achieving enhanced nuclear magnetization in a magnetic resonance force microscope experiment at 0.6 tesla and 4.2 kelvin using the dynamic nuclear polarization (DNP) effect. In our experiments a microwire coplanar waveguide delivered radiowaves to excite nuclear spins and microwaves to excite electron spins in a 250 nm thick nitroxide-doped polystyrene sample. Both electron and proton spin resonance were observed as a change in the mechanical resonance frequency of a nearby cantilever having a micron-scale nickel tip. NMR signal, not observable from Curie-law magnetization at 0.6 T, became observable when microwave irradiation was applied to saturate the electron spins. The resulting NMR signal's size, buildup time, dependence on microwave power, and dependence on irradiation frequency was consistent with a transfer of magnetization from electron spins to nuclear spins. Due to the presence of an inhomogeneous magnetic field introduced by the cantilever's magnetic tip, the electron spins in the sample were saturated in a microwave-resonant slice 10's of nm thick. The spatial distribution of the nuclear polarization enhancement factor ε was mapped by varying the frequency of the applied radiowaves. The observed enhancement factor was zero for spins in the center of the resonant slice, was ε = +10 to +20 for spins proximal to the magnet, and was ε = -10 to -20 for spins distal to the magnet. We show that this bipolar nuclear magnetization profile is consistent with cross-effect DNP in a ∼10(5) T m(-1) magnetic field gradient. Potential challenges associated with generating and using DNP-enhanced nuclear magnetization in a nanometer-resolution magnetic resonance imaging experiment are elucidated and discussed. PMID:26964007

  10. Dynamic Nuclear Polarization of Sedimented Solutes

    PubMed Central

    Ravera, Enrico; Corzilius, Björn; Michaelis, Vladimir K.; Rosa, Camilla; Griffin, Robert G.; Luchinat, Claudio; Bertini, Ivano

    2013-01-01

    Using the 480 kDa iron-storage protein complex, apoferritin, as an example, we demonstrate that sizable dynamic nuclear polarization (DNP) enhancements can be obtained on sedimented protein samples. In sedimented solute DNP (SedDNP), the biradical polarizing agent is co-sedimented with the protein, but in the absence of a glass forming agent. We observe DNP enhancement factors ε>40 at a magnetic field of 5 T and temperatures below 90 K, indicating that the protein sediment state is “glassy” and suitable to disperse the biradical polarizing agent upon freezing. In contrast, frozen aqueous solutions of apoferritin yield ε ≈ 2. Results of SedDNP are compared to those obtained from samples prepared using the traditional glass forming agent glycerol. Collectively, these and results from previous investigations suggest that the sedimented state can be functionally described as a “microcrystalline glass” and in addition provides a new approach for preparation of samples for DNP experiments. PMID:23331059

  11. Dynamic nuclear polarization of spherical nanoparticles.

    PubMed

    Akbey, Ümit; Altin, Burcu; Linden, Arne; Özçelik, Serdar; Gradzielski, Michael; Oschkinat, Hartmut

    2013-12-21

    Spherical silica nanoparticles of various particle sizes (~10 to 100 nm), produced by a modified Stoeber method employing amino acids as catalysts, are investigated using Dynamic Nuclear Polarization (DNP) enhanced Nuclear Magnetic Resonance (NMR) spectroscopy. This study includes ultra-sensitive detection of surface-bound amino acids and their supramolecular organization in trace amounts, exploiting the increase in NMR sensitivity of up to three orders of magnitude via DNP. Moreover, the nature of the silicon nuclei on the surface and the bulk silicon nuclei in the core (sub-surface) is characterized at atomic resolution. Thereby, we obtain unique insights into the surface chemistry of these nanoparticles, which might result in improving their rational design as required for promising applications, e.g. as catalysts or imaging contrast agents. The non-covalent binding of amino acids to surfaces was determined which shows that the amino acids not just function as catalysts but become incorporated into the nanoparticles during the formation process. As a result only three distinct Q-types of silica signals were observed from surface and core regions. We observed dramatic changes of DNP enhancements as a function of particle size, and very small particles (which suit in vivo applications better) were hyperpolarized with the best efficiency. Nearly one order of magnitude larger DNP enhancement was observed for nanoparticles with 13 nm size compared to particles with 100 nm size. We determined an approximate DNP penetration-depth (~4.2 or ~5.7 nm) for the polarization transfer from electrons to the nuclei of the spherical nanoparticles. Faster DNP polarization buildup was observed for larger nanoparticles. Efficient hyperpolarization of such nanoparticles, as achieved in this work, can be utilized in applications such as magnetic resonance imaging (MRI). PMID:24192797

  12. Triton memory time in solid DT and its nuclear polarization

    SciTech Connect

    Souers, P. C.; Fearon, E. M.; Mapoles, E. R.; Sater, J. D.; Collins, G. W.; Gaines, J. R.; Sherman, R. H.; Bartlit, J. R.

    1988-01-01

    The expected value of nuclear spin polarization to inertial confinement fusion is recapitulated. A comparison of brute force versus dynamic nuclear polarization, as applied to solid deuterium-tritium, is given, and the need for a long triton polarization memory time (longitudinal nuclear relaxation time) is shown. The time constant for 25 mol%T/sub 2/-50 DT-25 D/sub 2/ is a short 0.3 s at 5/degree/K and waiting lowers it to 0.1 s. Use of 90 to 96 mol% molecular DT raises the time constant to 0.9 s and addition of about 20 mol% nH/sub 2/ increases it to 5 to 7 s. The theory shows that the species shortening the triton memory time is the J = 1 T/sub 2/, which can be reduced in our samples only by self-catalysis. The heating in order to mix in nH/sub 2/ increases the percent of J = 1 T/sub 2/ and mixing may not be perfect. The experiments have increased the triton memory time twenty-fold and shown that removal of the J = 1 T/sub 2/ is the key to improved results.

  13. Dynamic nuclear polarization at high magnetic fields

    PubMed Central

    Maly, Thorsten; Debelouchina, Galia T.; Bajaj, Vikram S.; Hu, Kan-Nian; Joo, Chan-Gyu; Mak–Jurkauskas, Melody L.; Sirigiri, Jagadishwar R.; van der Wel, Patrick C. A.; Herzfeld, Judith; Temkin, Richard J.; Griffin, Robert G.

    2009-01-01

    Dynamic nuclear polarization (DNP) is a method that permits NMR signal intensities of solids and liquids to be enhanced significantly, and is therefore potentially an important tool in structural and mechanistic studies of biologically relevant molecules. During a DNP experiment, the large polarization of an exogeneous or endogeneous unpaired electron is transferred to the nuclei of interest (I) by microwave (μw) irradiation of the sample. The maximum theoretical enhancement achievable is given by the gyromagnetic ratios (γe/γl), being ∼660 for protons. In the early 1950s, the DNP phenomenon was demonstrated experimentally, and intensively investigated in the following four decades, primarily at low magnetic fields. This review focuses on recent developments in the field of DNP with a special emphasis on work done at high magnetic fields (≥5 T), the regime where contemporary NMR experiments are performed. After a brief historical survey, we present a review of the classical continuous wave (cw) DNP mechanisms—the Overhauser effect, the solid effect, the cross effect, and thermal mixing. A special section is devoted to the theory of coherent polarization transfer mechanisms, since they are potentially more efficient at high fields than classical polarization schemes. The implementation of DNP at high magnetic fields has required the development and improvement of new and existing instrumentation. Therefore, we also review some recent developments in μw and probe technology, followed by an overview of DNP applications in biological solids and liquids. Finally, we outline some possible areas for future developments. PMID:18266416

  14. Hyperpolarization of Frozen Hydrocarbon Gases by Dynamic Nuclear Polarization at 1.2 K.

    PubMed

    Vuichoud, Basile; Canet, Estel; Milani, Jonas; Bornet, Aurélien; Baudouin, David; Veyre, Laurent; Gajan, David; Emsley, Lyndon; Lesage, Anne; Copéret, Christophe; Thieuleux, Chloé; Bodenhausen, Geoffrey; Koptyug, Igor; Jannin, Sami

    2016-08-18

    We report a simple and general method for the hyperpolarization of condensed gases by dynamic nuclear polarization (DNP). The gases are adsorbed in the pores of structured mesoporous silica matrices known as HYPSOs (HYper Polarizing SOlids) that have paramagnetic polarizing agents covalently bound to the surface of the mesopores. DNP is performed at low temperatures and moderate magnetic fields (T = 1.2 K and B0 = 6.7 T). Frequency-modulated microwave irradiation is applied close to the electron spin resonance frequency (f = 188.3 GHz), and the electron spin polarization of the polarizing agents of HYPSO is transferred to the nuclear spins of the frozen gas. A proton polarization as high as P((1)H) = 70% can be obtained, which can be subsequently transferred to (13)C in natural abundance by cross-polarization, yielding up to P((13)C) = 27% for ethylene. PMID:27483034

  15. Optical Polarization of Nuclear Spins in Silicon Carbide

    NASA Astrophysics Data System (ADS)

    Falk, Abram L.; Klimov, Paul V.; Ivády, Viktor; Szász, Krisztián; Christle, David J.; Koehl, William F.; Gali, Ádám; Awschalom, David D.

    2015-06-01

    We demonstrate optically pumped dynamic nuclear polarization of 29Si nuclear spins that are strongly coupled to paramagnetic color centers in 4 H - and 6 H -SiC. The 9 9 % ±1 % degree of polarization that we observe at room temperature corresponds to an effective nuclear temperature of 5 μ K . By combining ab initio theory with the experimental identification of the color centers' optically excited states, we quantitatively model how the polarization derives from hyperfine-mediated level anticrossings. These results lay a foundation for SiC-based quantum memories, nuclear gyroscopes, and hyperpolarized probes for magnetic resonance imaging.

  16. Polarization-sensitive optical coherence tomography applied to intervertebral disk

    NASA Astrophysics Data System (ADS)

    Matcher, Stephen J.; Winlove, Peter; Gangnus, Sergei V.

    2003-07-01

    Polarization-sensitive optical coherence tomography (PSOCT) is a powerful new optical imaging modality that is sensitive to the birefringence properties of tissues. It thus has potential applications in studying the large-scale ordering of collagen fibers within connective tisues and changes related to pathology. As a tissue for study by PSOCT, intervertebral disk respresents an interesting system as the collagen organization is believed to show pronounced variations with depth, on a spatial scale of about 100 μm. We have used a polarization-sensitive optical coherence tomography system to measure the birefringence properties of bovine caudal intervertebral disk and compared this with equine flexor tendon. The result for equine tendon, δ = (3.0 +/- 0.5)x10-3 at 1.3 μm, is in broad agreement with values reported for bovine tendon, while bovine intervertebral disk displays a birefringence of about half this, δ = 1.2 x 10-3 at 1.3 μm. While tendon appears to show a uniform fast-axis over 0.8 mm depth, intervertebral disk shows image contrast at all orientations relative to a linearly polarized input beam, suggesting a variation in fast-axis orientation with depth. These initial results suggest that PSOCT could be a useful tool to study collagen organization within this tissue and its variation with applied load and disease.

  17. Dynamic nuclear polarization and Hanle effect in (In,Ga)As/GaAs quantum dots. Role of nuclear spin fluctuations

    SciTech Connect

    Gerlovin, I. Ya.; Cherbunin, R. V.; Ignatiev, I. V.; Kuznetsova, M. S.; Verbin, S. Yu.; Flisinski, K.; Bayer, M.; Reuter, D.; Wieck, A. D.; Yakovlev, D. R.

    2013-12-04

    The degree of circular polarization of photoluminescence of (In,Ga)As quantum dots as a function of magnetic field applied perpendicular to the optical axis (Hanle effect) is experimentally studied. The measurements have been performed at various regimes of the optical excitation modulation. The analysis of experimental data has been performed in the framework of a vector model of regular nuclear spin polarization and its fluctuations. The analysis allowed us to evaluate the magnitude of nuclear polarization and its dynamics at the experimental conditions used.

  18. Nuclear polarization in heavy atoms and superheavy quasiatoms

    SciTech Connect

    Plunien, G. ); Mueller, B.; Greiner, W. ); Soff, G. )

    1991-06-01

    We consider the contribution of nuclear polarization to the Lamb shift of {ital K}- and {ital L}-shell electrons in heavy atoms and quasiatoms. Our formal approach is based on the concept of effective photon propagators with nuclear-polarization insertions treating effects of nuclear polarization on the same footing as usual QED radiative corrections. We explicitly derive the modification of the photon propagator for various collective nuclear excitations and calculate the corresponding effective self-energy shift perturbatively. The energy shift of the 1{ital s}{sub 1/2} state in {sub 92}{sup 238}U due to virtual excitation of nuclear rotational states is shown to be a considerable correction for atomic high-precision experiments. In contrast to this, nuclear-polarization effects are of minor importance for Lamb-shift studies in {sub 82}{sup 208}Pb.

  19. Local dynamic nuclear polarization using quantum point contacts

    SciTech Connect

    Wald, K.R.; Kouwenhoven, L.P.; McEuen, P.L. ); van der Vaart, N.C. ); Foxon, C.T. )

    1994-08-15

    We have used quantum point contacts (QPCs) to locally create and probe dynamic nuclear polarization (DNP) in GaAs heterostructures in the quantum Hall regime. DNP is created via scattering between spin-polarized Landau level electrons and the Ga and As nuclear spins, and it leads to hysteresis in the dc transport characteristics. The nuclear origin of this hysteresis is demonstrated by nuclear magnetic resonance (NMR). Our results show that QPCs can be used to create and probe local nuclear spin populations, opening up new possibilities for mesoscopic NMR experiments.

  20. Bulk nuclear polarization enhanced at room temperature by optical pumping.

    PubMed

    Fischer, Ran; Bretschneider, Christian O; London, Paz; Budker, Dmitry; Gershoni, David; Frydman, Lucio

    2013-08-01

    Bulk (13)C polarization can be strongly enhanced in diamond at room temperature based on the optical pumping of nitrogen-vacancy color centers. This effect was confirmed by irradiating single crystals at a ~50 mT field promoting anticrossings between electronic excited-state levels, followed by shuttling of the sample into an NMR setup and by subsequent (13)C detection. A nuclear polarization of ~0.5%--equivalent to the (13)C polarization achievable by thermal polarization at room temperature at fields of ~2000 T--was measured, and its bulk nature determined based on line shape and relaxation measurements. Positive and negative enhanced polarizations were obtained, with a generally complex but predictable dependence on the magnetic field during optical pumping. Owing to its simplicity, this (13)C room temperature polarizing strategy provides a promising new addition to existing nuclear hyperpolarization techniques. PMID:23952444

  1. Dynamic nuclear polarization in coal characterization: Final technical report

    SciTech Connect

    Maciel, G.E.

    1988-12-31

    The overall goal of this project was the development and application of new NMR techniques, based primarily on dynamic nuclear polarization (DNP), for elucidating organic structural details in coal samples. 1 fig.

  2. Nuclear reactivity control using laser induced polarization

    DOEpatents

    Bowman, Charles D.

    1991-01-01

    A control element for reactivity control of a fission source provides an atomic density of .sup.3 He in a control volume which is effective to control criticality as the .sup.3 He is spin-polarized. Spin-polarization of the .sup.3 He affects the cross section of the control volume for fission neutrons and hence, the reactivity. An irradiation source is directed within the .sup.3 He for spin-polarizing the .sup.3 He. An alkali-metal vapor may be included with the .sup.3 He where a laser spin-polarizes the alkali-metal atoms which in turn, spin-couple with .sup.3 He to spin-polarize the .sup.3 He atoms.

  3. Nuclear reactivity control using laser induced polarization

    DOEpatents

    Bowman, Charles D.

    1990-01-01

    A control element for reactivity control of a fission source provides an atomic density of .sup.3 He in a control volume which is effective to control criticality as the .sup.3 He is spin-polarized. Spin-polarization of the .sup.3 He affects the cross section of the control volume for fission neturons and hence, the reactivity. An irradiation source is directed within the .sup.3 He for spin-polarizing the .sup.3 He. An alkali-metal vapor may be included with the .sup.3 He where a laser spin-polarizes the alkali-metal atoms which in turn, spin-couple with .sup.3 He to spin-polarize the .sup.3 He atoms.

  4. Optically enhanced nuclear cross polarization in acridine-doped fluorene

    SciTech Connect

    Oshiro, C.M.

    1982-06-01

    The objective of this work has been to create large polarizations of the dilute /sup 13/C nuclei in the solid state. The idea was to create /sup 1/H polarizations larger than Boltzmann and to use the proton enhanced nuclear induction spectroscopy cross polarization technique to then transfer this large polarization to the /sup 13/C spin system. Optical Nuclear Polarization (ONP) of acridine-doped fluorene single crystals was studied. In addition, ONP of powdered samples of the acridine-doped fluorene was studied. In general, many compounds do not crystallize easily or do not form large crystals suitable for NMR experiments. Powdered, amorphous and randomly dispersed samples are generally far more readily available than single crystals. One objective of this work has been to (first) create large /sup 1/H polarizations. Although large optical proton polarizations in single crystals have been reported previously, optically generated polarizations in powdered samples have not been reported. For these reasons, ONP studies of powdered samples of the acridine-doped fluorene were also undertaken. Using ONP in combination with the proton enhanced nuclear induction spectroscopy experiment, large /sup 13/C polarizations have been created in fluorene single crystals. These large /sup 13/C polarizations have permitted the determination of the seven incongruent chemical shielding tensors of the fluorene molecule. Part 2 of this thesis describes the proton enhanced nuclear induction spectroscopy experiment. Part 3 describes the ONP experiment. Part 4 is a description of the experimental set-up. Part 5 describes the data analysis for the determination of the chemical shielding tensors. Part 6 presents the results of the ONP experiments performed in this work and the chemical shielding tensors determined.

  5. Quantum limit for nuclear spin polarization in semiconductor quantum dots

    NASA Astrophysics Data System (ADS)

    Hildmann, Julia; Kavousanaki, Eleftheria; Burkard, Guido; Ribeiro, Hugo

    2014-05-01

    A recent experiment [E. A. Chekhovich et al., Phys. Rev. Lett. 104, 066804 (2010), 10.1103/PhysRevLett.104.066804] has demonstrated that high nuclear spin polarization can be achieved in self-assembled quantum dots by exploiting an optically forbidden transition between a heavy hole and a trion state. However, a fully polarized state is not achieved as expected from a classical rate equation. Here, we theoretically investigate this problem with the help of a quantum master equation and we demonstrate that a fully polarized state cannot be achieved due to formation of a nuclear dark state. Moreover, we show that the maximal degree of polarization depends on structural properties of the quantum dot.

  6. Applying Renormalization Group Techniques to Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Eldredge, Zachary; Bogner, Scott; Nunes, Filomena

    2013-10-01

    Nuclear reactions are commonly used to explore the physics of unstable nuclei. Therefore, it is important that accurate, computationally favorable methods exist to describe them. Reaction models often make use of effective nucleon-nucleus potentials (optical potentials) which fit low-energy scattering data and include an imaginary component to account for the removal of flux from the elastic channel. When describing reactions in momentum space, the coupling between low- and high-momentum states can pose a technical challenge. We would like potentials which allow us to compute low-momentum interactions without including highly virtual momentum states. A solution to this problem is to apply renormalization group (RG) techniques to produce a new effective potential in which high and low momentum degrees of freedom are decoupled, so that we need only consider momenta below some cutoff. This poster will present results relating to an implementation of RG techniques on optical potentials, including complex potentials and spin-orbit effects. We show that our evolved optical potentials reproduce bound states and scattering phase shifts without the inclusion of any momenta above a selected cutoff, and compare new potentials to old ones to examine the effect of transformation.

  7. Apparatus and method for polarizing polarizable nuclear species

    DOEpatents

    Hersman, F. William; Leuschner, Mark; Carberry, Jeannette

    2005-09-27

    The present invention is a polarizing process involving a number of steps. The first step requires moving a flowing mixture of gas, the gas at least containing a polarizable nuclear species and vapor of at least one alkali metal, with a transport velocity that is not negligible when compared with the natural velocity of diffusive transport. The second step is propagating laser light in a direction, preferably at least partially through a polarizing cell. The next step is directing the flowing gas along a direction generally opposite to the direction of laser light propagating. The next step is containing the flowing gas mixture in the polarizing cell. The final step is immersing the polarizing cell in a magnetic field. These steps can be initiated in any order, although the flowing gas, the propagating laser and the magnetic field immersion must be concurrently active for polarization to occur.

  8. Expeditious dissolution dynamic nuclear polarization without glassing agents.

    PubMed

    Lama, Bimala; Collins, James H P; Downes, Daniel; Smith, Adam N; Long, Joanna R

    2016-03-01

    The hyperpolarization of metabolic substrates at low temperature using dynamic nuclear polarization (DNP), followed by rapid dissolution and injection into an MRSI or NMR system, allows in vitro or in vivo observation and tracking of biochemical reactions and metabolites in real time. This article describes an elegant approach to sample preparation which is broadly applicable for the rapid polarization of aqueous small-molecule substrate solutions and obviates the need for glassing agents. We demonstrate its utility for solutions of sodium acetate, pyruvate and butyrate. The polarization behavior of substrates prepared using rapid freezing without glassing agents enabled a 1.5-3-fold time savings in polarization buildup, whilst removing the need for toxic glassing agents used as standard for dissolution DNP. The achievable polarization with fully aqueous substrate solutions was equal to that observed using standard approaches and glassing agents. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26915792

  9. Low-temperature cross polarization in view of enhancing dissolution Dynamic Nuclear Polarization in NMR

    NASA Astrophysics Data System (ADS)

    Jannin, Sami; Bornet, Aurélien; Colombo, Sonia; Bodenhausen, Geoffrey

    2011-12-01

    Dynamic Nuclear Polarization (DNP) induced by saturation of ESR transitions of TEMPO at 1.2 K and 3.35 T is characterized by build-up rates that are typically 5 times faster for protons than for the carboxylic carbon-13 in acetate. We show that cross polarization from protons to carbon-13 allows one to achieve a polarization P( 13C) >20% in less than 10 min, twice as much as has been previously reported, in one-fifth of the time. This should open the way to an unprecedented improvement in the efficiency of dissolution DNP.

  10. Unconventional Coding Technique Applied to Multi-Level Polarization Modulation

    NASA Astrophysics Data System (ADS)

    Rutigliano, G. G.; Betti, S.; Perrone, P.

    2016-05-01

    A new technique is proposed to improve information confidentiality in optical-fiber communications without bandwidth consumption. A pseudorandom vectorial sequence was generated by a dynamic system algorithm and used to codify a multi-level polarization modulation based on the Stokes vector. Optical-fiber birefringence, usually considered as a disturbance, was exploited to obfuscate the signal transmission. At the receiver end, the same pseudorandom sequence was generated and used to decode the multi-level polarization modulated signal. The proposed scheme, working at the physical layer, provides strong information security without introducing complex processing and thus latency.

  11. Nuclear polarization contribution to the Lamb shift in heavy atoms

    SciTech Connect

    Plunien, G.; Mueller, B.; Greiner, W.; Soff, G.

    1989-05-15

    The energy shift of the 1s/sub 1/2/ state in /sub <2//sub 92//sup 38/U due to virtual excitation of nuclear rotational modes is shown to be a considerable correction for atomic high-precision experiments. In contrast to this, nuclear polarization effects are of minor importance for Lamb-shift studies in /sub <2//sub 82//sup 08/Pb.

  12. Investigation of ultrafast nuclear spin polarization induced by short laser pulses.

    PubMed

    Nakajima, Takashi

    2007-07-13

    We theoretically investigate the dynamics of nuclear spin induced by short laser pulses and show that ultrafast nuclear spin polarization can take place. Combined use of the hyperfine interaction together with the static electric field is the key for that. Specifically we apply the idea to unstable isotopes, (27)Mg and (37)Ca, with nuclear spin of 1/2 and 3/2, respectively, and show that 88% and 62% of nuclear spin polarization can be achieved within a few to tens of ns, which is 2-3 orders of magnitude shorter than the time needed for any known optical methods. Because of its ultrafast nature, our scheme would be very effective not only for stable nuclei but also unstable nuclei with a lifetime as short as mus. PMID:17678226

  13. Hybrid polarizing solids for pure hyperpolarized liquids through dissolution dynamic nuclear polarization

    PubMed Central

    Gajan, David; Bornet, Aurélien; Vuichoud, Basile; Milani, Jonas; Melzi, Roberto; van Kalkeren, Henri A.; Veyre, Laurent; Thieuleux, Chloé; Conley, Matthew P.; Grüning, Wolfram R.; Schwarzwälder, Martin; Lesage, Anne; Copéret, Christophe; Bodenhausen, Geoffrey; Emsley, Lyndon; Jannin, Sami

    2014-01-01

    Hyperpolarization of substrates for magnetic resonance spectroscopy (MRS) and imaging (MRI) by dissolution dynamic nuclear polarization (D-DNP) usually involves saturating the ESR transitions of polarizing agents (PAs; e.g., persistent radicals embedded in frozen glassy matrices). This approach has shown enormous potential to achieve greatly enhanced nuclear spin polarization, but the presence of PAs and/or glassing agents in the sample after dissolution can raise concerns for in vivo MRI applications, such as perturbing molecular interactions, and may induce the erosion of hyperpolarization in spectroscopy and MRI. We show that D-DNP can be performed efficiently with hybrid polarizing solids (HYPSOs) with 2,2,6,6-tetramethyl-piperidine-1-oxyl radicals incorporated in a mesostructured silica material and homogeneously distributed along its pore channels. The powder is wetted with a solution containing molecules of interest (for example, metabolites for MRS or MRI) to fill the pore channels (incipient wetness impregnation), and DNP is performed at low temperatures in a very efficient manner. This approach allows high polarization without the need for glass-forming agents and is applicable to a broad range of substrates, including peptides and metabolites. During dissolution, HYPSO is physically retained by simple filtration in the cryostat of the DNP polarizer, and a pure hyperpolarized solution is collected within a few seconds. The resulting solution contains the pure substrate, is free from any paramagnetic or other pollutants, and is ready for in vivo infusion. PMID:25267650

  14. Mechanism of dynamic nuclear polarization in high magnetic fields

    NASA Astrophysics Data System (ADS)

    Farrar, C. T.; Hall, D. A.; Gerfen, G. J.; Inati, S. J.; Griffin, R. G.

    2001-03-01

    Solid-state NMR signal enhancements of about two orders of magnitude (100-400) have been observed in dynamic nuclear polarization (DNP) experiments performed at high magnetic field (5 T) and low temperature (10 K) using the nitroxide radical 4-amino TEMPO as the source of electron polarization. Since the breadth of the 4-amino TEMPO EPR spectrum is large compared to the nuclear Larmor frequency, it has been assumed that thermal mixing (TM) is the dominate mechanism by which polarization is transferred from electron to nuclear spins. However, theoretical explanations of TM generally assume a homogeneously broadened EPR line and, since the 4-amino TEMPO line at 5 T is inhomogeneously broadened, they do not explain the observed DNP enhancements. Accordingly, we have developed a treatment of DNP that explicitly uses electron-electron cross-relaxation to mediate electron-nuclear polarization transfer. The process proceeds via spin flip-flops between pairs of electronic spin packets whose Zeeman temperatures differ from one another. To confirm the essential features of the model we have studied the field dependence of electron-electron double resonance (ELDOR) data and DNP enhancement data. Both are well simulated using a simple model of electron cross-relaxation in the inhomogeneously broadened 4-amino TEMPO EPR line.

  15. Dynamic Nuclear Polarization and the Paradox of Quantum Thermalization

    NASA Astrophysics Data System (ADS)

    De Luca, Andrea; Rosso, Alberto

    2015-08-01

    Dynamic nuclear polarization (DNP) is to date the most effective technique to increase the nuclear polarization opening disruptive perspectives for medical applications. In a DNP setting, the interacting spin system is quasi-isolated and brought out of equilibrium by microwave irradiation. Here we show that the resulting stationary state strongly depends on the ergodicity properties of the spin many-body eigenstates. In particular, the dipolar interactions compete with the disorder induced by local magnetic fields resulting in two distinct dynamical phases: while for weak interaction, only a small enhancement of polarization is observed, for strong interactions the spins collectively equilibrate to an extremely low effective temperature that boosts DNP efficiency. We argue that these two phases are intimately related to the problem of thermalization in closed quantum systems where a many-body localization transition can occur varying the strength of the interactions.

  16. Water–Soluble Narrow Line Radicals for Dynamic Nuclear Polarization

    PubMed Central

    Haze, Olesya; Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.; Swager, Timothy M.

    2012-01-01

    The synthesis of air-stable highly water-soluble organic radicals containing a 1,3-bisdiphenylene-2-phenylallyl (BDPA) core is reported. A sulfonated derivative, SA-BDPA, retains the narrow EPR linewidth (<30 MHz at 5 T) of the parent BDPA in highly concentrated glycerol/water solutions (40 mM), which enables its use as polarizing agent for solid effect dynamic nuclear polarization (SE DNP). Sensitivity enhancement of 110 was obtained in high field magic-angle-spinning nuclear magnetic resonance (MAS NMR) experiments. The ease of synthesis and high maximum enhancements obtained with the BDPA-based radicals constitute a major advance over the trityl-type narrow line polarization agents. PMID:22917088

  17. The use of Dynamic Nuclear Polarization in coal research

    SciTech Connect

    Wind, R.A.

    1986-04-01

    In a variety of articles it has been shown that the presence of unpaired electrons in coal makes it possible to enhance the /sup 1/H and /sup 13/C NMR signals of this material by irradiating at or near the electron Larmor frequency: the Dynamic Nuclear Polarization (DNP) effect. It is found that in favourable cases the nuclear polarization can be enhanced by one to three orders of magnitude, which can e.g., be used as a fast method to characterize coal via /sup 13/C NMR. In this paper the DNP enhancement is investigated as a function of coal rank, and the observed behavior explained. Furthermore, special DNP experiments are given which provide information about the carbon percentage detected via /sup 1/H- /sup 13/C cross-polarization (CP).

  18. Nuclear magnetic resonance imaging with hyper-polarized noble gases

    SciTech Connect

    Schmidt, D.M.; George, J.S.; Penttila, S.I.; Caprihan, A.

    1997-10-01

    This is the final report of a six-month, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The nuclei of noble gases can be hyper polarized through a laser-driven spin exchange to a degree many orders of magnitude larger than that attainable by thermal polarization without requiring a strong magnetic field. The increased polarization from the laser pumping enables a good nuclear magnetic resonance (NMR) signal from a gas. The main goal of this project was to demonstrate diffusion-weighted imaging of such hyper-polarized noble gas with magnetic resonance imaging (MRI). Possible applications include characterizing porosity of materials and dynamically imaging pressure distributions in biological or acoustical systems.

  19. Molecular Rationale for Improved Dynamic Nuclear Polarization of Biomembranes.

    PubMed

    Smith, Adam N; Twahir, Umar T; Dubroca, Thierry; Fanucci, Gail E; Long, Joanna R

    2016-08-18

    Dynamic nuclear polarization (DNP) enhanced solid-state NMR can provide orders of magnitude in signal enhancement. One of the most important aspects of obtaining efficient DNP enhancements is the optimization of the paramagnetic polarization agents used. To date, the most utilized polarization agents are nitroxide biradicals. However, the efficiency of these polarization agents is diminished when used with samples other than small molecule model compounds. We recently demonstrated the effectiveness of nitroxide labeled lipids as polarization agents for lipids and a membrane embedded peptide. Here, we systematically characterize, via electron paramagnetic (EPR), the dynamics of and the dipolar couplings between nitroxide labeled lipids under conditions relevant to DNP applications. Complemented by DNP enhanced solid-state NMR measurements at 600 MHz/395 GHz, a molecular rationale for the efficiency of nitroxide labeled lipids as DNP polarization agents is developed. Specifically, optimal DNP enhancements are obtained when the nitroxide moiety is attached to the lipid choline headgroup and local nitroxide concentrations yield an average e(-)-e(-) dipolar coupling of 47 MHz. On the basis of these measurements, we propose a framework for development of DNP polarization agents optimal for membrane protein structure determination. PMID:27434371

  20. Polarizing agents and mechanisms for high-field dynamic nuclear polarization of frozen dielectric solids.

    PubMed

    Hu, Kan-Nian

    2011-09-01

    This article provides an overview of polarizing mechanisms involved in high-frequency dynamic nuclear polarization (DNP) of frozen biological samples at temperatures maintained using liquid nitrogen, compatible with contemporary magic-angle spinning (MAS) nuclear magnetic resonance (NMR). Typical DNP experiments require unpaired electrons that are usually exogenous in samples via paramagnetic doping with polarizing agents. Thus, the resulting nuclear polarization mechanism depends on the electron and nuclear spin interactions induced by the paramagnetic species. The Overhauser Effect (OE) DNP, which relies on time-dependent spin-spin interactions, is excluded from our discussion due the lack of conducting electrons in frozen aqueous solutions containing biological entities. DNP of particular interest to us relies primarily on time-independent, spin-spin interactions for significant electron-nucleus polarization transfer through mechanisms such as the Solid Effect (SE), the Cross Effect (CE) or Thermal Mixing (TM), involving one, two or multiple electron spins, respectively. Derived from monomeric radicals initially used in high-field DNP experiments, bi- or multiple-radical polarizing agents facilitate CE/TM to generate significant NMR signal enhancements in dielectric solids at low temperatures (<100 K). For example, large DNP enhancements (∼300 times at 5 T) from a biologically compatible biradical, 1-(TEMPO-4-oxy)-3-(TEMPO-4-amino)propan-2-ol (TOTAPOL), have enabled high-resolution MAS NMR in sample systems existing in submicron domains or embedded in larger biomolecular complexes. The scope of this review is focused on recently developed DNP polarizing agents for high-field applications and leads up to future developments per the CE DNP mechanism. Because DNP experiments are feasible with a solid-state microwave source when performed at <20K, nuclear polarization using lower microwave power (<100 mW) is possible by forcing a high proportion of biradicals to

  1. Polarizing Agents and Mechanisms for High-Field Dynamic Nuclear Polarization of Frozen Dielectric Solids

    PubMed Central

    Hu, Kan-Nian

    2011-01-01

    This article provides an overview of polarizing mechanisms involved in high-frequency dynamic nuclear polarization (DNP) of frozen biological samples at temperatures maintained using liquid nitrogen, compatible with contemporary magic-angle spinning (MAS) nuclear magnetic resonance (NMR). Typical DNP experiments require unpaired electrons that are usually exogenous in samples via paramagnetic doping with polarizing agents. Thus, the resulting nuclear polarization mechanism depends on the electron and nuclear spin interactions induced by the paramagnetic species. The Overhauser Effect (OE) DNP, which relies on time-dependent spin-spin interactions, is excluded from our discussion due the lack of conducting electrons in frozen aqueous solutions containing biological entities. DNP of particular interest to us relies primarily on time-independent, spin interactions for significant electron-nucleus polarization transfer through mechanisms such as the Solid Effect (SE), the Cross Effect (CE) or Thermal Mixing (TM), involving one, two or multiple electron spins, respectively. Derived from monomeric radicals initially used in DNP experiments, bi- or multiple-radical polarizing agents facilitate CE/TM to generate significant NMR signal enhancements in dielectric solids at low temperatures (< 100 K). For example, large DNP enhancements (~300 times at 5 T) from a biologically compatible biradical, 1-(TEMPO-4-oxy)-3-(TEMPO-4-amino)propan-2-ol (TOTAPOL), have enabled high-resolution MAS NMR in sample systems existing in submicron domains or embedded in larger biomolecular complexes. The scope of this review is focused on recently developed DNP polarizing agents for high-field applications and leads up to future developments per the CE DNP mechanism. Because DNP experiments are feasible with a solid-state microwave source when performed at <20 K, nuclear polarization using lower microwave power (< 100 mW) is possible by forcing a high proportion of biradicals to fulfill the

  2. Automated Microwave Frequency Control in Dynamic Nuclear Polarization Experiments

    NASA Astrophysics Data System (ADS)

    Scott, Ethan; Johnson, Ian; Keller, Dustin; Solid Polarized Target Group Team

    2016-03-01

    To achieve highest polarization levels in dynamic nuclear polarization (DNP) experiments, target materials must be subjected to microwave irradiation at a particular frequency determined by the difference in the nuclear Larmor and electron paramagnetic resonance (EPR) frequencies. However, this resonant frequency is variable; it drifts as a result of radiation damage. Manually adjusting the frequency to accommodate for this fluctuation can be difficult, and improper adjustments negatively impact the polarization. In response to this problem, a controller has been developed which automates the process of seeking and maintaining optimal frequency. The creation of such a controller has necessitated research into the correlation between microwave frequency and corresponding polarization growth or decay rates in DNP experiments. Knowledge gained from the research of this unique relationship has additionally lead to the development of a Monte-Carlo simulation which accurately models polarization as a function of frequency and a number of other parameters. The simulation and controller continue to be refined, however, recent DNP experimentation has confirmed the controller's effectiveness.

  3. Dynamic Nuclear Polarization with a Water-soluble Rigid Biradical

    PubMed Central

    Kiesewetter, Matthew K.; Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.; Swager, Timothy M.

    2012-01-01

    A new biradical polarizing agent, bTbtk-py, for dynamic nuclear polarization (DNP) experiments in aqueous media is reported. The synthesis is discussed in light of the requirements of the optimum, theoretical, biradical system. To date, the DNP NMR signal enhancement resulting from bTbtk-py is the largest of any biradical in the ideal glycerol/water solvent matrix, ε = 230. EPR and X-ray crystallography are used to characterize the molecule and suggest approaches for further optimizing the biradical distance and relative orientation. PMID:22372769

  4. Applied nuclear physics in support of SBSS

    SciTech Connect

    Strottman, D.

    1995-10-01

    Since the advent of the 800-MeV proton linear accelerator over 3 decades ago, the facilities on the Clinton P. Anderson Meson Physics Facility (LAMPF) mesa have pioneered many developments that provide unique capabilities within the Department of Energy (DOE) complex and in the world. New technologies based on the use of the world`s most intense, medium-energy linac, LAMPF, are being developed. They include destruction of long-lived components of nuclear waste, plutonium burning, energy production, production of tritium, and experiments for the science-based stockpile stewardship (SBSS) program. The design, assessment, and safety analysis of potential facilities involve the understanding of complex combinations of nuclear processes, which in turn establish new requirements on nuclear data that transcend the traditional needs of the fission and fusion reactor communities. Other areas of technology such as neutron and proton therapy applications are also placing new requirements on nuclear data. The proposed Los Alamos Neutron Science Center (LANSCE) now under discussion combined with the appropriate instrumentation will have unique features and capabilities of which there were previously only aspirations.

  5. Quantum theory of dynamic nuclear polarization in quantum dots

    NASA Astrophysics Data System (ADS)

    Economou, Sophia; Barnes, Edwin

    2013-03-01

    Nuclear spins play a major role in the dynamics of spin qubits in III-V semiconductor quantum dots. Although the hyperfine interaction between nuclear and electron (or hole) spins is typically viewed as the leading source of decoherence in these qubits, understanding how to experimentally control the nuclear spin polarization can not only ameliorate this problem, but in fact turn the nuclear spins into a valuable resource for quantum computing. Beyond extending decoherence times, control of this polarization can enable universal quantum computation as shown in singlet-triplet qubits and, in addition, offers the possibility of repurposing the nuclear spins into a robust quantum memory. In, we took a first step toward taking advantage of this resource by developing a general, fully quantum theory of non-unitary electron-nuclear spin dynamics with a periodic train of delta-function pulses as the external control driving the electron spin. Here, we extend this approach to other types of controls and further expand on the predictions and physical insights that emerge from the theory.

  6. Quantum mechanical theory of dynamic nuclear polarization in solid dielectrics

    PubMed Central

    Hu, Kan-Nian; Debelouchina, Galia T.; Smith, Albert A.; Griffin, Robert G.

    2011-01-01

    Microwave driven dynamic nuclear polarization (DNP) is a process in which the large polarization present in an electron spin reservoir is transferred to nuclei, thereby enhancing NMR signal intensities. In solid dielectrics there are three mechanisms that mediate this transfer—the solid effect (SE), the cross effect (CE), and thermal mixing (TM). Historically these mechanisms have been discussed theoretically using thermodynamic parameters and average spin interactions. However, the SE and the CE can also be modeled quantum mechanically with a system consisting of a small number of spins and the results provide a foundation for the calculations involving TM. In the case of the SE, a single electron–nuclear spin pair is sufficient to explain the polarization mechanism, while the CE requires participation of two electrons and a nuclear spin, and can be used to understand the improved DNP enhancements observed using biradical polarizing agents. Calculations establish the relations among the electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) frequencies and the microwave irradiation frequency that must be satisfied for polarization transfer via the SE or the CE. In particular, if δ, Δ < ω0I, where δ and Δ are the homogeneous linewidth and inhomogeneous breadth of the EPR spectrum, respectively, we verify that the SE occurs when ωM = ω0S ± ω0I, where ωM, ω0S and ω0I are, respectively, the microwave, and the EPR and NMR frequencies. Alternatively, when Δ > ω0I > δ, the CE dominates the polarization transfer. This two-electron process is optimized when ω0S1−ω0S2=ω0I and ωM∼ω0S1 orω0S2, where ω0S1 and ω0S2 are the EPR Larmor frequencies of the two electrons. Using these matching conditions, we calculate the evolution of the density operator from electron Zeeman order to nuclear Zeeman order for both the SE and the CE. The results provide insights into the influence of the microwave irradiation field, the

  7. Oocyte Polarization Is Coupled to the Chromosomal Bouquet, a Conserved Polarized Nuclear Configuration in Meiosis

    PubMed Central

    Elkouby, Yaniv M.; Jamieson-Lucy, Allison; Mullins, Mary C.

    2016-01-01

    The source of symmetry breaking in vertebrate oocytes is unknown. Animal—vegetal oocyte polarity is established by the Balbiani body (Bb), a conserved structure found in all animals examined that contains an aggregate of specific mRNAs, proteins, and organelles. The Bb specifies the oocyte vegetal pole, which is key to forming the embryonic body axes as well as the germline in most vertebrates. How Bb formation is regulated and how its asymmetric position is established are unknown. Using quantitative image analysis, we trace oocyte symmetry breaking in zebrafish to a nuclear asymmetry at the onset of meiosis called the chromosomal bouquet. The bouquet is a universal feature of meiosis where all telomeres cluster to one pole on the nuclear envelope, facilitating chromosomal pairing and meiotic recombination. We show that Bb precursor components first localize with the centrosome to the cytoplasm adjacent to the telomere cluster of the bouquet. They then aggregate around the centrosome in a specialized nuclear cleft that we identified, assembling the early Bb. We show that the bouquet nuclear events and the cytoplasmic Bb precursor localization are mechanistically coordinated by microtubules. Thus the animal—vegetal axis of the oocyte is aligned to the nuclear axis of the bouquet. We further show that the symmetry breaking events lay upstream to the only known regulator of Bb formation, the Bucky ball protein. Our findings link two universal features of oogenesis, the Bb and the chromosomal bouquet, to oocyte polarization. We propose that a meiotic—vegetal center couples meiosis and oocyte patterning. Our findings reveal a novel mode of cellular polarization in meiotic cells whereby cellular and nuclear polarity are aligned. We further reveal that in zygotene nests, intercellular cytoplasmic bridges remain between oocytes and that the position of the cytoplasmic bridge coincides with the location of the centrosome meiotic—vegetal organizing center. These

  8. Covariance Spectroscopy Applied to Nuclear Radiation Detection

    SciTech Connect

    Trainham, R., Tinsley, J., Keegan, R., Quam, W.

    2011-09-01

    Covariance spectroscopy is a method of processing second order moments of data to obtain information that is usually absent from average spectra. In nuclear radiation detection it represents a generalization of nuclear coincidence techniques. Correlations and fluctuations in data encode valuable information about radiation sources, transport media, and detection systems. Gaining access to the extra information can help to untangle complicated spectra, uncover overlapping peaks, accelerate source identification, and even sense directionality. Correlations existing at the source level are particularly valuable since many radioactive isotopes emit correlated gammas and neutrons. Correlations also arise from interactions within detector systems, and from scattering in the environment. In particular, correlations from Compton scattering and pair production within a detector array can be usefully exploited in scenarios where direct measurement of source correlations would be unfeasible. We present a covariance analysis of a few experimental data sets to illustrate the utility of the concept.

  9. PRESTO polarization transfer to quadrupolar nuclei: Implications for dynamic nuclear polarization

    DOE PAGESBeta

    Perras, Frederic A.; Kobayashi, Takeshi; Pruski, Marek

    2015-08-04

    In this study, we show both experimentally and numerically on a series of model systems that in experiments involving transfer of magnetization from 1H to the quadrupolar nuclei under magic-angle-spinning (MAS), the PRESTO technique consistently outperforms traditionally used cross polarization (CP), affording more quantitative intensities, improved lineshapes, better overall sensitivity, and straightforward optimization. This advantage derives from the fact that PRESTO circumvents the convoluted and uncooperative spin dynamics during the CP transfer under MAS, by replacing the spin-locking of quadrupolar nuclei with a single central transition selective 90° pulse and using a symmetry-based recoupling sequence in the 1H channel. Thismore » is important in the context of dynamic nuclear polarization (DNP) NMR of quadrupolar nuclei, where the efficient transfer of enhanced 1H polarization is desired to obtain the highest sensitivity.« less

  10. PRESTO polarization transfer to quadrupolar nuclei: Implications for dynamic nuclear polarization

    SciTech Connect

    Perras, Frederic A.; Kobayashi, Takeshi; Pruski, Marek

    2015-08-04

    In this study, we show both experimentally and numerically on a series of model systems that in experiments involving transfer of magnetization from 1H to the quadrupolar nuclei under magic-angle-spinning (MAS), the PRESTO technique consistently outperforms traditionally used cross polarization (CP), affording more quantitative intensities, improved lineshapes, better overall sensitivity, and straightforward optimization. This advantage derives from the fact that PRESTO circumvents the convoluted and uncooperative spin dynamics during the CP transfer under MAS, by replacing the spin-locking of quadrupolar nuclei with a single central transition selective 90° pulse and using a symmetry-based recoupling sequence in the 1H channel. This is important in the context of dynamic nuclear polarization (DNP) NMR of quadrupolar nuclei, where the efficient transfer of enhanced 1H polarization is desired to obtain the highest sensitivity.

  11. PRESTO polarization transfer to quadrupolar nuclei: implications for dynamic nuclear polarization.

    PubMed

    Perras, Frédéric A; Kobayashi, Takeshi; Pruski, Marek

    2015-09-21

    We show both experimentally and numerically on a series of model systems that in experiments involving transfer of magnetization from (1)H to the quadrupolar nuclei under magic-angle-spinning (MAS), the PRESTO technique consistently outperforms traditionally used cross polarization (CP), affording more quantitative intensities, improved lineshapes, better overall sensitivity, and straightforward optimization. This advantage derives from the fact that PRESTO circumvents the convoluted and uncooperative spin dynamics during the CP transfer under MAS, by replacing the spin-locking of quadrupolar nuclei with a single central transition selective 90° pulse and using a symmetry-based recoupling sequence in the (1)H channel. This is of particular importance in the context of dynamic nuclear polarization (DNP) NMR of quadrupolar nuclei, where the efficient transfer of enhanced (1)H polarization is desired to obtain the highest sensitivity. PMID:26266874

  12. Polarization Transfer from Ligands Hyperpolarized by Dissolution Dynamic Nuclear Polarization for Screening in Drug Discovery.

    PubMed

    Min, Hlaing; Sekar, Giridhar; Hilty, Christian

    2015-09-01

    Nuclear magnetic resonance (NMR) spectroscopy is a valuable technique for ligand screening, because it exhibits high specificity toward chemical structure and interactions. Dissolution dynamic nuclear polarization (DNP) is a recent advance in NMR methodology that enables the creation of non-equilibrium spin states, which can dramatically increase NMR sensitivity. Here, the transfer of such spin polarization from hyperpolarized ligand to protein is observed. Mixing hyperpolarized benzamidine with the serine protease trypsin, a "fingerprint" of enhanced protein signals is observed, which shows a different intensity profile than the equilibrium NMR spectrum of the protein, but coincides closely to the frequency profile of a saturation transfer difference (STD) NMR experiment. The DNP experiment benefits from hyperpolarization and enables observation of all frequencies in a single, rapid experiment. Based on these merits, it is an interesting alternative to the widely used STD experiment for identification of protein-ligand interactions. PMID:26315550

  13. The spin-temperature theory of dynamic nuclear polarization and nuclear spin-lattice relaxation

    NASA Technical Reports Server (NTRS)

    Byvik, C. E.; Wollan, D. S.

    1974-01-01

    A detailed derivation of the equations governing dynamic nuclear polarization (DNP) and nuclear spin lattice relaxation by use of the spin temperature theory has been carried to second order in a perturbation expansion of the density matrix. Nuclear spin diffusion in the rapid diffusion limit and the effects of the coupling of the electron dipole-dipole reservoir (EDDR) with the nuclear spins are incorporated. The complete expression for the dynamic nuclear polarization has been derived and then examined in detail for the limit of well resolved solid effect transitions. Exactly at the solid effect transition peaks, the conventional solid-effect DNP results are obtained, but with EDDR effects on the nuclear relaxation and DNP leakage factor included. Explicit EDDR contributions to DNP are discussed, and a new DNP effect is predicted.

  14. Solid effect in magic angle spinning dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.

    2012-08-01

    For over five decades, the solid effect (SE) has been heavily utilized as a mechanism for performing dynamic nuclear polarization (DNP). Nevertheless, it has not found widespread application in contemporary, high magnetic field DNP experiments because SE enhancements display an ω _0 ^{ - 2} field dependence. In particular, for nominally forbidden zero and double quantum SE transitions to be partially allowed, it is necessary for mixing of adjacent nuclear spin states to occur, and this leads to the observed field dependence. However, recently we have improved our instrumentation and report here an enhancement of ɛ = 91 obtained with the organic radical trityl (OX063) in magic angle spinning experiments performed at 5 T and 80 K. This is a factor of 6-7 higher than previous values in the literature under similar conditions. Because the solid effect depends strongly on the microwave field strength, we attribute this large enhancement to larger microwave field strengths inside the sample volume, achieved with more efficient coupling of the gyrotron to the sample chamber. In addition, we develop a theoretical model to explain the dependence of the buildup rate of enhanced nuclear polarization and the steady-state enhancement on the microwave power. Buildup times and enhancements were measured as a function of 1H concentration for both trityl and Gd-DOTA. Comparison of the results indicates that for trityl the initial polarization step is the slower, rate-determining step. However, for Gd-DOTA the spread of nuclear polarization via homonuclear 1H spin diffusion is rate-limiting. Finally, we discuss the applicability of the solid effect at fields > 5 T and the requirements to address the unfavorable field dependence of the solid effect.

  15. Solid effect in magic angle spinning dynamic nuclear polarization

    PubMed Central

    Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.

    2012-01-01

    For over five decades, the solid effect (SE) has been heavily utilized as a mechanism for performing dynamic nuclear polarization (DNP). Nevertheless, it has not found widespread application in contemporary, high magnetic field DNP experiments because SE enhancements display an \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{upgreek} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} \\begin{equation*}\\omega _0 ^{ - 2}\\end{equation*} \\end{document}ω0−2 field dependence. In particular, for nominally forbidden zero and double quantum SE transitions to be partially allowed, it is necessary for mixing of adjacent nuclear spin states to occur, and this leads to the observed field dependence. However, recently we have improved our instrumentation and report here an enhancement of ɛ = 91 obtained with the organic radical trityl (OX063) in magic angle spinning experiments performed at 5 T and 80 K. This is a factor of 6-7 higher than previous values in the literature under similar conditions. Because the solid effect depends strongly on the microwave field strength, we attribute this large enhancement to larger microwave field strengths inside the sample volume, achieved with more efficient coupling of the gyrotron to the sample chamber. In addition, we develop a theoretical model to explain the dependence of the buildup rate of enhanced nuclear polarization and the steady-state enhancement on the microwave power. Buildup times and enhancements were measured as a function of 1H concentration for both trityl and Gd-DOTA. Comparison of the results indicates that for trityl the initial polarization step is the slower, rate-determining step. However, for Gd-DOTA the spread of nuclear polarization via homonuclear 1H spin diffusion is rate-limiting. Finally, we discuss the applicability of the solid effect at fields > 5 T and the requirements

  16. Solid effect in magic angle spinning dynamic nuclear polarization.

    PubMed

    Corzilius, Björn; Smith, Albert A; Griffin, Robert G

    2012-08-01

    For over five decades, the solid effect (SE) has been heavily utilized as a mechanism for performing dynamic nuclear polarization (DNP). Nevertheless, it has not found widespread application in contemporary, high magnetic field DNP experiments because SE enhancements display an ω(0)(-2) field dependence. In particular, for nominally forbidden zero and double quantum SE transitions to be partially allowed, it is necessary for mixing of adjacent nuclear spin states to occur, and this leads to the observed field dependence. However, recently we have improved our instrumentation and report here an enhancement of ε = 91 obtained with the organic radical trityl (OX063) in magic angle spinning experiments performed at 5 T and 80 K. This is a factor of 6-7 higher than previous values in the literature under similar conditions. Because the solid effect depends strongly on the microwave field strength, we attribute this large enhancement to larger microwave field strengths inside the sample volume, achieved with more efficient coupling of the gyrotron to the sample chamber. In addition, we develop a theoretical model to explain the dependence of the buildup rate of enhanced nuclear polarization and the steady-state enhancement on the microwave power. Buildup times and enhancements were measured as a function of (1)H concentration for both trityl and Gd-DOTA. Comparison of the results indicates that for trityl the initial polarization step is the slower, rate-determining step. However, for Gd-DOTA the spread of nuclear polarization via homonuclear (1)H spin diffusion is rate-limiting. Finally, we discuss the applicability of the solid effect at fields > 5 T and the requirements to address the unfavorable field dependence of the solid effect. PMID:22894339

  17. High-Frequency Dynamic Nuclear Polarization in the Nuclear Rotating Frame

    NASA Astrophysics Data System (ADS)

    Farrar, C. T.; Hall, D. A.; Gerfen, G. J.; Rosay, M.; Ardenkjær-Larsen, J.-H.; Griffin, R. G.

    2000-05-01

    A proton dynamic nuclear polarization (DNP) NMR signal enhancement (ɛ) close to thermal equilibrium, ɛ = 0.89, has been obtained at high field (B0 = 5 T, νepr = 139.5 GHz) using 15 mM trityl radical in a 40:60 water/glycerol frozen solution at 11 K. The electron-nuclear polarization transfer is performed in the nuclear rotating frame with microwave irradiation during a nuclear spin-lock pulse. The growth of the signal enhancement is governed by the rotating frame nuclear spin-lattice relaxation time (T1ρ), which is four orders of magnitude shorter than the nuclear spin-lattice relaxation time (T1n). Due to the rapid polarization transfer in the nuclear rotating frame the experiment can be recycled at a rate of 1/T1ρ and is not limited by the much slower lab frame nuclear spin-lattice relaxation rate (1/T1n). The increased repetition rate allowed in the nuclear rotating frame provides an effective enhancement per unit time1/2 of ɛt = 197. The nuclear rotating frame-DNP experiment does not require high microwave power; significant signal enhancements were obtained with a low-power (20 mW) Gunn diode microwave source and no microwave resonant structure. The symmetric trityl radical used as the polarization source is water-soluble and has a narrow EPR linewidth of 10 G at 139.5 GHz making it an ideal polarization source for high-field DNP/NMR studies of biological systems.

  18. Quenching of dynamic nuclear polarization by spin-orbit coupling in GaAs quantum dots.

    PubMed

    Nichol, John M; Harvey, Shannon P; Shulman, Michael D; Pal, Arijeet; Umansky, Vladimir; Rashba, Emmanuel I; Halperin, Bertrand I; Yacoby, Amir

    2015-01-01

    The central-spin problem is a widely studied model of quantum decoherence. Dynamic nuclear polarization occurs in central-spin systems when electronic angular momentum is transferred to nuclear spins and is exploited in quantum information processing for coherent spin manipulation. However, the mechanisms limiting this process remain only partially understood. Here we show that spin-orbit coupling can quench dynamic nuclear polarization in a GaAs quantum dot, because spin conservation is violated in the electron-nuclear system, despite weak spin-orbit coupling in GaAs. Using Landau-Zener sweeps to measure static and dynamic properties of the electron spin-flip probability, we observe that the size of the spin-orbit and hyperfine interactions depends on the magnitude and direction of applied magnetic field. We find that dynamic nuclear polarization is quenched when the spin-orbit contribution exceeds the hyperfine, in agreement with a theoretical model. Our results shed light on the surprisingly strong effect of spin-orbit coupling in central-spin systems. PMID:26184854

  19. Quenching of dynamic nuclear polarization by spin-orbit coupling in GaAs quantum dots

    NASA Astrophysics Data System (ADS)

    Nichol, John M.; Harvey, Shannon P.; Shulman, Michael D.; Pal, Arijeet; Umansky, Vladimir; Rashba, Emmanuel I.; Halperin, Bertrand I.; Yacoby, Amir

    2015-07-01

    The central-spin problem is a widely studied model of quantum decoherence. Dynamic nuclear polarization occurs in central-spin systems when electronic angular momentum is transferred to nuclear spins and is exploited in quantum information processing for coherent spin manipulation. However, the mechanisms limiting this process remain only partially understood. Here we show that spin-orbit coupling can quench dynamic nuclear polarization in a GaAs quantum dot, because spin conservation is violated in the electron-nuclear system, despite weak spin-orbit coupling in GaAs. Using Landau-Zener sweeps to measure static and dynamic properties of the electron spin-flip probability, we observe that the size of the spin-orbit and hyperfine interactions depends on the magnitude and direction of applied magnetic field. We find that dynamic nuclear polarization is quenched when the spin-orbit contribution exceeds the hyperfine, in agreement with a theoretical model. Our results shed light on the surprisingly strong effect of spin-orbit coupling in central-spin systems.

  20. Quenching of dynamic nuclear polarization by spin–orbit coupling in GaAs quantum dots

    PubMed Central

    Nichol, John M.; Harvey, Shannon P.; Shulman, Michael D.; Pal, Arijeet; Umansky, Vladimir; Rashba, Emmanuel I.; Halperin, Bertrand I.; Yacoby, Amir

    2015-01-01

    The central-spin problem is a widely studied model of quantum decoherence. Dynamic nuclear polarization occurs in central-spin systems when electronic angular momentum is transferred to nuclear spins and is exploited in quantum information processing for coherent spin manipulation. However, the mechanisms limiting this process remain only partially understood. Here we show that spin–orbit coupling can quench dynamic nuclear polarization in a GaAs quantum dot, because spin conservation is violated in the electron–nuclear system, despite weak spin–orbit coupling in GaAs. Using Landau–Zener sweeps to measure static and dynamic properties of the electron spin–flip probability, we observe that the size of the spin–orbit and hyperfine interactions depends on the magnitude and direction of applied magnetic field. We find that dynamic nuclear polarization is quenched when the spin–orbit contribution exceeds the hyperfine, in agreement with a theoretical model. Our results shed light on the surprisingly strong effect of spin–orbit coupling in central-spin systems. PMID:26184854

  1. Applying RFID technology in nuclear materials management.

    SciTech Connect

    Tsai, H.; Chen, K.; Liu, Y.; Norair, J. P.; Bellamy, S.; Shuler, J.; SRL; Savi Technology; DOE

    2008-01-01

    The Packaging Certification Program (PCP) of US Department of Energy (DOE) Environmental Management (EM), Office of Safety Management and Operations (EM-60), has developed a radio frequency identification (RFID) system for the management of nuclear materials. Argonne National Laboratory, a PCP supporting laboratory, and Savi Technology, a Lockheed Martin Company, are collaborating in the development of the RFID system, a process that involves hardware modification (form factor, seal sensor and batteries), software development and irradiation experiments. Savannah River National Laboratory and Argonne will soon field test the active RFID system on Model 9975 drums, which are used for storage and transportation of fissile and radioactive materials. Potential benefits of the RFID system are enhanced safety and security, reduced need for manned surveillance, real time access of status and history data, and overall cost effectiveness.

  2. Nuclear depolarization and absolute sensitivity in magic-angle spinning cross effect dynamic nuclear polarization.

    PubMed

    Mentink-Vigier, Frédéric; Paul, Subhradip; Lee, Daniel; Feintuch, Akiva; Hediger, Sabine; Vega, Shimon; De Paëpe, Gaël

    2015-09-14

    Over the last two decades solid state Nuclear Magnetic Resonance has witnessed a breakthrough in increasing the nuclear polarization, and thus experimental sensitivity, with the advent of Magic Angle Spinning Dynamic Nuclear Polarization (MAS-DNP). To enhance the nuclear polarization of protons, exogenous nitroxide biradicals such as TOTAPOL or AMUPOL are routinely used. Their efficiency is usually assessed as the ratio between the NMR signal intensity in the presence and the absence of microwave irradiation εon/off. While TOTAPOL delivers an enhancement εon/off of about 60 on a model sample, the more recent AMUPOL is more efficient: >200 at 100 K. Such a comparison is valid as long as the signal measured in the absence of microwaves is merely the Boltzmann polarization and is not affected by the spinning of the sample. However, recent MAS-DNP studies at 25 K by Thurber and Tycko (2014) have demonstrated that the presence of nitroxide biradicals combined with sample spinning can lead to a depolarized nuclear state, below the Boltzmann polarization. In this work we demonstrate that TOTAPOL and AMUPOL both lead to observable depolarization at ≈110 K, and that the magnitude of this depolarization is radical dependent. Compared to the static sample, TOTAPOL and AMUPOL lead, respectively, to nuclear polarization losses of up to 20% and 60% at a 10 kHz MAS frequency, while Trityl OX63 does not depolarize at all. This experimental work is analyzed using a theoretical model that explains how the depolarization process works under MAS and gives new insights into the DNP mechanism and into the spin parameters, which are relevant for the efficiency of a biradical. In light of these results, the outstanding performance of AMUPOL must be revised and we propose a new method to assess the polarization gain for future radicals. PMID:26235749

  3. High Field Dynamic Nuclear Polarization NMR with Surfactant Sheltered Biradicals

    PubMed Central

    2015-01-01

    We illustrate the ability to place a water-insoluble biradical, bTbk, into a glycerol/water matrix with the assistance of a surfactant, sodium octyl sulfate (SOS). This surfactant approach enables a previously water insoluble biradical, bTbk, with favorable electron–electron dipolar coupling to be used for dynamic nuclear polarization (DNP) nuclear magnetic resonance (NMR) experiments in frozen, glassy, aqueous media. Nuclear Overhauser enhancement (NOE) and paramagnetic relaxation enhancement (PRE) experiments are conducted to determine the distribution of urea and several biradicals within the SOS macromolecular assembly. We also demonstrate that SOS assemblies are an effective approach by which mixed biradicals are created through an assembly process. PMID:24506193

  4. Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization

    NASA Astrophysics Data System (ADS)

    Mentink-Vigier, Frederic; Akbey, Ümit; Oschkinat, Hartmut; Vega, Shimon; Feintuch, Akiva

    2015-09-01

    Magic Angle Spinning (MAS) combined with Dynamic Nuclear Polarization (DNP) has been proven in recent years to be a very powerful method for increasing solid-state NMR signals. Since the advent of biradicals such as TOTAPOL to increase the nuclear polarization new classes of radicals, with larger molecular weight and/or different spin properties have been developed. These have led to unprecedented signal gain, with varying results for different experimental parameters, in particular the microwave irradiation strength, the static field, and the spinning frequency. Recently it has been demonstrated that sample spinning imposes DNP enhancement processes that differ from the active DNP mechanism in static samples as upon sample spinning the DNP enhancements are the results of energy level anticrossings occurring periodically during each rotor cycle. In this work we present experimental results with regards to the MAS frequency dependence of the DNP enhancement profiles of four nitroxide-based radicals at two different sets of temperature, 110 and 160 K. In fact, different magnitudes of reduction in enhancement are observed with increasing spinning frequency. Our simulation code for calculating MAS-DNP powder enhancements of small model spin systems has been improved to extend our studies of the influence of the interaction and relaxation parameters on powder enhancements. To achieve a better understanding we simulated the spin dynamics of a single three-spin system {ea -eb - n } during its steady state rotor periods and used the Landau-Zener formula to characterize the influence of the different anti-crossings on the polarizations of the system and their necessary action for reaching steady state conditions together with spin relaxation processes. Based on these model calculations we demonstrate that the maximum steady state nuclear polarization cannot become larger than the maximum polarization difference between the two electrons during the steady state rotor cycle

  5. Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization.

    PubMed

    Mentink-Vigier, Frederic; Akbey, Ümit; Oschkinat, Hartmut; Vega, Shimon; Feintuch, Akiva

    2015-09-01

    Magic Angle Spinning (MAS) combined with Dynamic Nuclear Polarization (DNP) has been proven in recent years to be a very powerful method for increasing solid-state NMR signals. Since the advent of biradicals such as TOTAPOL to increase the nuclear polarization new classes of radicals, with larger molecular weight and/or different spin properties have been developed. These have led to unprecedented signal gain, with varying results for different experimental parameters, in particular the microwave irradiation strength, the static field, and the spinning frequency. Recently it has been demonstrated that sample spinning imposes DNP enhancement processes that differ from the active DNP mechanism in static samples as upon sample spinning the DNP enhancements are the results of energy level anticrossings occurring periodically during each rotor cycle. In this work we present experimental results with regards to the MAS frequency dependence of the DNP enhancement profiles of four nitroxide-based radicals at two different sets of temperature, 110 and 160K. In fact, different magnitudes of reduction in enhancement are observed with increasing spinning frequency. Our simulation code for calculating MAS-DNP powder enhancements of small model spin systems has been improved to extend our studies of the influence of the interaction and relaxation parameters on powder enhancements. To achieve a better understanding we simulated the spin dynamics of a single three-spin system {ea-eb-n} during its steady state rotor periods and used the Landau-Zener formula to characterize the influence of the different anti-crossings on the polarizations of the system and their necessary action for reaching steady state conditions together with spin relaxation processes. Based on these model calculations we demonstrate that the maximum steady state nuclear polarization cannot become larger than the maximum polarization difference between the two electrons during the steady state rotor cycle. This

  6. Dynamic nuclear polarization of nucleic acid with endogenously bound manganese.

    PubMed

    Wenk, Patricia; Kaushik, Monu; Richter, Diane; Vogel, Marc; Suess, Beatrix; Corzilius, Björn

    2015-09-01

    We report the direct dynamic nuclear polarization (DNP) of (13)C nuclei of a uniformly [(13)C,(15)N]-labeled, paramagnetic full-length hammerhead ribozyme (HHRz) complex with Mn(2+) where the enhanced polarization is fully provided by the endogenously bound metal ion and no exogenous polarizing agent is added. A (13)C enhancement factor of ε = 8 was observed by intra-complex DNP at 9.4 T. In contrast, "conventional" indirect and direct DNP experiments were performed using AMUPol as polarizing agent where we obtained a (1)H enhancement factor of ε ≈ 250. Comparison with the diamagnetic (Mg(2+)) HHRz complex shows that the presence of Mn(2+) only marginally influences the (DNP-enhanced) NMR properties of the RNA. Furthermore two-dimensional correlation spectra ((15)N-(13)C and (13)C-(13)C) reveal structural inhomogeneity in the frozen, amorphous state indicating the coexistence of several conformational states. These demonstrations of intra-complex DNP using an endogenous metal ion as well as DNP-enhanced MAS NMR of RNA in general yield important information for the development of new methods in structural biology. PMID:26219517

  7. Enhancement of nuclear polarization with frequency modulated microwaves

    SciTech Connect

    Dulya, C.

    1995-04-01

    The authors report their discovery of a gain by a factor of two in the growth rate and of a gain by {approx} 1.7 in the maximum dynamic nuclear polarization (DNP) of deuteron in the large polarized targets of the Spin Muon Collaboration. These large gains resulted from a frequency modulation (FM) of the {approx} 69 GHz microwave field used for DNP; this FM had a 30 MHz amplitude and {approx} 1 KHz frequency. The target material is glassy deuterated 1-butanol doped with a paramagnetic Cr(V) complex. Measurements of the 430 MHz broad electron paramagnetic resonance (EPR) absorption spectrum in the 2.5 T field were performed by a novel differential bolometric technique. They show that FM gives rise to an additional microwave absorption which depends on the amplitude and frequency of FM and which is more pronounced in the edges of the EPR spectrum. For deuterons, polarizations of 0.46 and {minus}0.53 have been obtained. Similar although less dramatic effects were observed for protons where FM increased the polarization by less than 10% and the growth rate by {approx} 20%.

  8. NMR-based structural biology enhanced by dynamic nuclear polarization at high magnetic field.

    PubMed

    Koers, Eline J; van der Cruijsen, Elwin A W; Rosay, Melanie; Weingarth, Markus; Prokofyev, Alexander; Sauvée, Claire; Ouari, Olivier; van der Zwan, Johan; Pongs, Olaf; Tordo, Paul; Maas, Werner E; Baldus, Marc

    2014-11-01

    Dynamic nuclear polarization (DNP) has become a powerful method to enhance spectroscopic sensitivity in the context of magnetic resonance imaging and nuclear magnetic resonance spectroscopy. We show that, compared to DNP at lower field (400 MHz/263 GHz), high field DNP (800 MHz/527 GHz) can significantly enhance spectral resolution and allows exploitation of the paramagnetic relaxation properties of DNP polarizing agents as direct structural probes under magic angle spinning conditions. Applied to a membrane-embedded K(+) channel, this approach allowed us to refine the membrane-embedded channel structure and revealed conformational substates that are present during two different stages of the channel gating cycle. High-field DNP thus offers atomic insight into the role of molecular plasticity during the course of biomolecular function in a complex cellular environment. PMID:25284462

  9. Mechanisms of dynamic nuclear polarization in insulating solids

    NASA Astrophysics Data System (ADS)

    Can, T. V.; Ni, Q. Z.; Griffin, R. G.

    2015-04-01

    Dynamic nuclear polarization (DNP) is a technique used to enhance signal intensities in NMR experiments by transferring the high polarization of electrons to their surrounding nuclei. The past decade has witnessed a renaissance in the development of DNP, especially at high magnetic fields, and its application in several areas including biophysics, chemistry, structural biology and materials science. Recent technical and theoretical advances have expanded our understanding of established experiments: for example, the cross effect DNP in samples spinning at the magic angle. Furthermore, new experiments suggest that our understanding of the Overhauser effect and its applicability to insulating solids needs to be re-examined. In this article, we summarize important results of the past few years and provide quantum mechanical explanations underlying these results. We also discuss future directions of DNP and current limitations, including the problem of resolution in protein spectra recorded at 80-100 K.

  10. Mechanisms of Dynamic Nuclear Polarization in Insulating Solids

    PubMed Central

    Can, T.V.; Ni, Q.Z.; Griffin, R.G.

    2015-01-01

    Dynamic nuclear polarization (DNP) is a technique used to enhance signal intensities in NMR experiments by transferring the high polarization of electrons to their surrounding nuclei. The past decade has witnessed a renaissance in the development of DNP, especially at high magnetic fields, and its application in several areas including biophysics, chemistry, structural biology and materials science. Recent technical and theoretical advances have expanded our understanding of established experiments: for example, the cross effect DNP in samples spinning at the magic angle. Furthermore, new experiments suggest that our understanding of the Overhauser effect and its applicability to insulating solids needs to be re-examined. In this article, we summarize important results of the past few years and provide quantum mechanical explanations underlying these results. We also discuss future directions of DNP and current limitations, including the problem of resolution in protein spectra recorded at 80–100 K. PMID:25797002

  11. Fast passage dynamic nuclear polarization on rotating solids

    NASA Astrophysics Data System (ADS)

    Mentink-Vigier, Frederic; Akbey, Ümit; Hovav, Yonatan; Vega, Shimon; Oschkinat, Hartmut; Feintuch, Akiva

    2012-11-01

    Magic Angle Spinning (MAS) Dynamic Nuclear Polarization (DNP) has proven to be a very powerful way to improve the signal to noise ratio of NMR experiments on solids. The experiments have in general been interpreted considering the Solid-Effect (SE) and Cross-Effect (CE) DNP mechanisms while ignoring the influence of sample spinning. In this paper, we show experimental data of MAS-DNP enhancements of 1H and 13C in proline and SH3 protein in glass forming water/glycerol solvent containing TOTAPOL. We also introduce a theoretical model that aims at explaining how the nuclear polarization is built in MAS-DNP experiments. By using Liouville space based simulations to include relaxation on two simple spin models, {electron-nucleus} and {electron-electron-nucleus}, we explain how the basic MAS-SE-DNP and MAS-CE-DNP processes work. The importance of fast energy passages and short level anti-crossing is emphasized and the differences between static DNP and MAS-DNP is explained. During a single rotor cycle the enhancement in the {electron-electron-nucleus} system arises from MAS-CE-DNP involving at least three kinds of two-level fast passages: an electron-electron dipolar anti-crossing, a single quantum electron MW encounter and an anti-crossing at the CE condition inducing nuclear polarization in- or decrements. Numerical, powder-averaged, simulations were performed in order to check the influence of the experimental parameters on the enhancement efficiencies. In particular we show that the spinning frequency dependence of the theoretical MAS-CE-DNP enhancement compares favorably with the experimental 1H and 13C MAS-DNP enhancements of proline and SH3.

  12. Polarization of the nuclear surface in deformed nuclei

    NASA Astrophysics Data System (ADS)

    Scamps, Guillaume; Lacroix, Denis; Adamian, G. G.; Antonenko, N. V.

    2013-12-01

    The density profiles of around 750 nuclei are analyzed using the Skyrme energy density functional theory. Among them, more than 350 nuclei are found to be deformed. In addition to rather standard properties of the density, we report a nontrivial behavior of the nuclear diffuseness as the system becomes more and more deformed. Besides the geometric effects expected in a rigid body, the diffuseness acquires a rather complex behavior leading to a reduction of the diffuseness along the main axis of deformation simultaneously with an increase of the diffuseness along the other axis. The possible isospin dependence of this polarization is studied. This effect, which is systematically seen in medium and heavy nuclei, can affect the nuclear dynamical properties. A quantitative example is given with the fusion barrier in the 40Ca+238U reaction.

  13. Theoretical aspects of dynamic nuclear polarization in the solid state--spin temperature and thermal mixing.

    PubMed

    Hovav, Yonatan; Feintuch, Akiva; Vega, Shimon

    2013-01-01

    Dynamic nuclear polarization is a method which allows for a dramatic increase of the NMR signals due to polarization transfer between electrons and their neighboring nuclei, via microwave irradiation. These experiments have become popular in recent years due to the ability to create hyper-polarized chemically and biologically relevant molecules, in frozen glass forming mixtures containing free radicals. Three mechanisms have been proposed for the polarization transfer between electrons and their surrounding nuclei in such non-conducting samples: the solid effect and cross effect mechanisms, which are based on quantum mechanics and relaxation on small spin systems, and thermal mixing, which originates from the thermodynamic macroscopic notion of spin temperature. We have recently introduced a spin model, which is based on the density matrix formalism and includes relaxation, and applied it to study the solid effect and cross effect mechanisms on small spin systems. In this publication we use the same model to describe the thermal mixing mechanism, and the creation of spin temperature. This is obtained without relying on the spin temperature formalism. Simulations of small model systems are used on systems with homogeneously and inhomogeneously broadened EPR lines. For the case of a homogeneously broadened line we show that the nuclear enhancement results from the thermal mixing and solid effect mechanisms, and that spin temperatures are created in the system. In the inhomogeneous case the enhancements are attributed to the solid effect and cross effect mechanisms, but not thermal mixing. PMID:23160533

  14. Investigation of a naphthalene pitch by high-resolution solid-state dynamic nuclear polarization.

    PubMed

    Zhou, J; Yang, B; Hu, J; Hu, H; Li, L; Qiu, J; Zeng, F; Ye, C

    1996-04-01

    The possibility of applying the dynamic nuclear polarization (DNP) technique to a study of char is explored with a naphthalene-derived pitch. It is shown that a 13C DNP enhancement factor of about 10(2) is obtained when the polarization is directly transferred from the unpaired electrons to the 13C nuclei. An undistorted spectrum with an enhancement factor of 8 is obtained by the DNP cross-polarization magic-angle spinning nuclear magnetic resonance (DNP-CP-MAS NMR) method. With such a high increase in S/N, it is possible to measure the 13C polarization time (Tp) and the spin-lattice relaxation time (T1) of the system in a reasonable experimental time. The resultant values are Tp = 19 s and T1 = 38 s, respectively. Based on the DNP enhancement as a function of the microwave frequency, it is found that the predominant DNP mechanism in the pitch is the solid-state effect. PMID:8784951

  15. Solvent-Free Dynamic Nuclear Polarization of Amorphous and Crystalline ortho-Terphenyl

    PubMed Central

    Ong, Ta-Chung; Mak-Jurkauskas, Melody L.; Walish, Joseph J.; Michaelis, Vladimir K.; Corzilius, Björn; Smith, Albert A.; Clausen, Andrew M.; Cheetham, Janet C.; Swager, Timothy M.; Griffin, Robert G.

    2014-01-01

    Dynamic nuclear polarization (DNP) of amorphous and crystalline ortho-terphenyl (OTP) in the absence of glass forming agents is presented in order to gauge the feasibility of applying DNP to pharmaceutical solid-state nuclear magnetic resonance experiments and to study the effect of intermolecular structure, or lack thereof, on the DNP enhancement. By way of 1H–13C cross-polarization, we obtained a DNP enhancement (ε) of 58 for 95% deuterated OTP in the amorphous state using the biradical bis-TEMPO terephthalate (bTtereph) and ε of 36 in the crystalline state. Measurements of the 1H T1 and electron paramagnetic resonance experiments showed the crystallization process led to phase separation of the polarization agent, creating an inhomogeneous distribution of radicals within the sample. Consequently, the effective radical concentration was decreased in the bulk OTP phase, and long-range 1H–1H spin diffusion was the main polarization propagation mechanism. Preliminary DNP experiments with the glass-forming anti-inflammation drug, indomethacin, showed promising results, and further studies are underway to prepare DNP samples using pharmaceutical techniques. PMID:23421391

  16. 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.

  17. Dynamic nuclear-polarization studies of paramagnetic species in solution

    SciTech Connect

    Glad, W.E.

    1982-07-01

    Dynamic Nuclear Polarization (DNP) was used to measure the electron spin lattice relaxation times, T/sub 1/, of transition metal ions in aqueous solution. Saturation which is induced in the electron spin system is transferred to the solvent proton spins by dipole-dipole interactions. The change in the polarization of the proton spins is much larger than it is in the electron spins. The change in proton polarization is easily measured by proton Nuclear Magnetic Resonance (NMR). In one experimental arrangement the sample solution was continuously flowed through a microwave cavity to the NMR coil. The NMR was observed with a continuous wave NMR spectrometer. In a second arrangement the whole sample tube was moved from within the microwave cavity to the NMR coil in less than 40 ms by a blast of compressed air. The NMR was then observed with a pulse-Fourier-transform spectrometer. With the second arrangement a mean-square microwave magnetic field at the sample of more than 10 G/sup 2/ is obtainable with 14 W of microwave power. Measurements of DNP at 9 GHz were made on aqueous solutions of VO/sup 2 +/, Mn/sup 2 +/, Cr(CN)/sub 6//sup 3 -/, Cu/sup 2 +/ and Cu(ethylenediamine)/sub 2/(H/sub 2/0)/sub 2//sup 2 +/ ions from 3 to 60/sup 0/C. It was also possible to observe DNP on resolved proton resonances from mixed water-acetonitrile solutions of VO/sup 2 +/ and Cr(CN)/sub 6//sup 3 -/ ions.

  18. A 3D-printed high power nuclear spin polarizer.

    PubMed

    Nikolaou, Panayiotis; Coffey, Aaron M; Walkup, Laura L; Gust, Brogan M; LaPierre, Cristen D; Koehnemann, Edward; Barlow, Michael J; Rosen, Matthew S; Goodson, Boyd M; Chekmenev, Eduard Y

    2014-01-29

    Three-dimensional printing with high-temperature plastic is used to enable spin exchange optical pumping (SEOP) and hyperpolarization of xenon-129 gas. The use of 3D printed structures increases the simplicity of integration of the following key components with a variable temperature SEOP probe: (i) in situ NMR circuit operating at 84 kHz (Larmor frequencies of (129)Xe and (1)H nuclear spins), (ii) <0.3 nm narrowed 200 W laser source, (iii) in situ high-resolution near-IR spectroscopy, (iv) thermoelectric temperature control, (v) retroreflection optics, and (vi) optomechanical alignment system. The rapid prototyping endowed by 3D printing dramatically reduces production time and expenses while allowing reproducibility and integration of "off-the-shelf" components and enables the concept of printing on demand. The utility of this SEOP setup is demonstrated here to obtain near-unity (129)Xe polarization values in a 0.5 L optical pumping cell, including ∼74 ± 7% at 1000 Torr xenon partial pressure, a record value at such high Xe density. Values for the (129)Xe polarization exponential build-up rate [(3.63 ± 0.15) × 10(-2) min(-1)] and in-cell (129)Xe spin-lattice relaxation time (T1 = 2.19 ± 0.06 h) for 1000 Torr Xe were in excellent agreement with the ratio of the gas-phase polarizations for (129)Xe and Rb (PRb ∼ 96%). Hyperpolarization-enhanced (129)Xe gas imaging was demonstrated with a spherical phantom following automated gas transfer from the polarizer. Taken together, these results support the development of a wide range of chemical, biochemical, material science, and biomedical applications. PMID:24400919

  19. A 3D-Printed High Power Nuclear Spin Polarizer

    PubMed Central

    Nikolaou, Panayiotis; Coffey, Aaron M.; Walkup, Laura L.; Gust, Brogan M.; LaPierre, Cristen D.; Koehnemann, Edward; Barlow, Michael J.; Rosen, Matthew S.; Goodson, Boyd M.; Chekmenev, Eduard Y.

    2015-01-01

    Three-dimensional printing with high-temperature plastic is used to enable spin exchange optical pumping (SEOP) and hyperpolarization of xenon-129 gas. The use of 3D printed structures increases the simplicity of integration of the following key components with a variable temperature SEOP probe: (i) in situ NMR circuit operating at 84 kHz (Larmor frequencies of 129Xe and 1H nuclear spins), (ii) <0.3 nm narrowed 200 W laser source, (iii) in situ high-resolution near-IR spectroscopy, (iv) thermoelectric temperature control, (v) retroreflection optics, and (vi) optomechanical alignment system. The rapid prototyping endowed by 3D printing dramatically reduces production time and expenses while allowing reproducibility and integration of “off-the-shelf” components and enables the concept of printing on demand. The utility of this SEOP setup is demonstrated here to obtain near-unity 129Xe polarization values in a 0.5 L optical pumping cell, including ~74 ± 7% at 1000 Torr xenon partial pressure, a record value at such high Xe density. Values for the 129Xe polarization exponential build-up rate [(3.63 ± 0.15) × 10−2 min−1] and in-cell 129Xe spin−lattice relaxation time (T1 = 2.19 ± 0.06 h) for 1000 Torr Xe were in excellent agreement with the ratio of the gas-phase polarizations for 129Xe and Rb (PRb ~ 96%). Hyperpolarization-enhanced 129Xe gas imaging was demonstrated with a spherical phantom following automated gas transfer from the polarizer. Taken together, these results support the development of a wide range of chemical, biochemical, material science, and biomedical applications. PMID:24400919

  20. Image reconstruction techniques applied to nuclear mass models

    NASA Astrophysics Data System (ADS)

    Morales, Irving O.; Isacker, P. Van; Velazquez, V.; Barea, J.; Mendoza-Temis, J.; Vieyra, J. C. López; Hirsch, J. G.; Frank, A.

    2010-02-01

    A new procedure is presented that combines well-known nuclear models with image reconstruction techniques. A color-coded image is built by taking the differences between measured masses and the predictions given by the different theoretical models. This image is viewed as part of a larger array in the (N,Z) plane, where unknown nuclear masses are hidden, covered by a “mask.” We apply a suitably adapted deconvolution algorithm, used in astronomical observations, to “open the window” and see the rest of the pattern. We show that it is possible to improve significantly mass predictions in regions not too far from measured nuclear masses.

  1. Polarization of nuclear spins by a cold nanoscale resonator

    SciTech Connect

    Butler, Mark C.; Weitekamp, Daniel P.

    2011-12-15

    A cold nanoscale resonator coupled to a system of nuclear spins can induce spin relaxation. In the low-temperature limit where spin-lattice interactions are ''frozen out,'' spontaneous emission by nuclear spins into a resonant mechanical mode can become the dominant mechanism for cooling the spins to thermal equilibrium with their environment. We provide a theoretical framework for the study of resonator-induced cooling of nuclear spins in this low-temperature regime. Relaxation equations are derived from first principles, in the limit where energy donated by the spins to the resonator is quickly dissipated into the cold bath that damps it. A physical interpretation of the processes contributing to spin polarization is given. For a system of spins that have identical couplings to the resonator, the interaction Hamiltonian conserves spin angular momentum, and the resonator cannot relax the spins to thermal equilibrium unless this symmetry is broken by the spin Hamiltonian. The mechanism by which such a spin system becomes ''trapped'' away from thermal equilibrium can be visualized using a semiclassical model, which shows how an indirect spin-spin interaction arises from the coupling of multiple spins to one resonator. The internal spin Hamiltonian can affect the polarization process in two ways: (1) By modifying the structure of the spin-spin correlations in the energy eigenstates, and (2) by splitting the degeneracy within a manifold of energy eigenstates, so that zero-frequency off-diagonal terms in the density matrix are converted to oscillating coherences. Shifting the frequencies of these coherences sufficiently far from zero suppresses the development of resonator-induced correlations within the manifold during polarization from a totally disordered state. Modification of the spin-spin correlations by means of either mechanism affects the strength of the fluctuating spin dipole that drives the resonator. In the case where product states can be chosen as energy

  2. Dynamic Nuclear Polarization (DNP) solid-state NMR spectroscopy, a new approach to study humic material?

    NASA Astrophysics Data System (ADS)

    Knicker, Heike; Lange, Sascha; van Rossum, Barth; Oschkinat, Hartmut

    2016-04-01

    Compared to solution NMR spectroscopy, solid-state NMR spectra suffer from broad resonance lines and low resolution. This could be overcome by the use of 2-dimenstional solid-state NMR pulse sequences. Until recently, this approach has been unfeasible as a routine tool in soil chemistry, mainly because of the low NMR sensitivity of the respective samples. A possibility to circumvent those sensitivity problems represents high-field Dynamic Nuclear Polarization (DNP) solid-state NMR spectroscopy (Barnes et al., 2008), allowing considerable signal enhancements (Akbey et al., 2010). This is achieved by a microwave-driven transfer of polarization from a paramagnetic center to nuclear spins. Application of DNP to MAS spectra of biological systems (frozen solutions) showed enhancements of the factor 40 to 50 (Hall et al., 1997). Enhancements of this magnitude, thus may enable the use of at least some of the 2D solid-state NMR techniques that are presently already applied for pure proteins but are difficult to apply to soil peptides in their complex matrix. After adjusting the required acquisition parameters to the system "soil organic matter", lower but still promising enhancement factors were achieved. Additional optimization was performed and allowed the acquisition of 2D 13C and 15N solid-state NMR spectra of humified 13C and 15N enriched plant residues. Within the present contribution, the first solid-state DNP NMR spectra of humic material are presented. Those data demonstrate the great potential of this approach which certainly opens new doors for a better understanding of biochemical processes in soils, sediments and water. Akbey, Ü., Franks, W.T., Linden, A., Lange, S., Griffin, R.G., van Rossum, B.-J., Oschkinat, H., 2010. Dynamic nuclear polarization of deuterated proteins. Angewandte Chemie International Edition 49, 7803-7806. Barnes, A.B., De Paëpe, G., van der Wel, P.C.A., Hu, K.N., Joo, C.G., Bajaj, V.S., Mak-Jurkauskas, M.L., Sirigiri, J.R., Herzfeld, J

  3. Solid state nuclear magnetic resonance with magic-angle spinning and dynamic nuclear polarization below 25 K

    NASA Astrophysics Data System (ADS)

    Thurber, Kent R.; Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert

    2013-01-01

    We describe an apparatus for solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS) at 20-25 K and 9.4 Tesla. The MAS NMR probe uses helium to cool the sample space and nitrogen gas for MAS drive and bearings, as described earlier [1], but also includes a corrugated waveguide for transmission of microwaves from below the probe to the sample. With a 30 mW circularly polarized microwave source at 264 GHz, MAS at 6.8 kHz, and 21 K sample temperature, greater than 25-fold enhancements of cross-polarized 13C NMR signals are observed in spectra of frozen glycerol/water solutions containing the triradical dopant DOTOPA-TEMPO when microwaves are applied. As demonstrations, we present DNP-enhanced one-dimensional and two-dimensional 13C MAS NMR spectra of frozen solutions of uniformly 13C-labeled L-alanine and melittin, a 26-residue helical peptide that we have synthesized with four uniformly 13C-labeled amino acids.

  4. Solid state nuclear magnetic resonance with magic-angle spinning and dynamic nuclear polarization below 25 K

    PubMed Central

    Thurber, Kent R.; Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert

    2012-01-01

    We describe an apparatus for solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS) at 20–25 K and 9.4 Tesla. The MAS NMR probe uses helium to cool the sample space and nitrogen gas for MAS drive and bearings, as described earlier (Thurber et al., J. Magn. Reson. 2008) [1], but also includes a corrugated waveguide for transmission of microwaves from below the probe to the sample. With a 30 mW circularly polarized microwave source at 264 GHz, MAS at 6.8 kHz, and 21 K sample temperature, greater than 25-fold enhancements of cross-polarized 13C NMR signals are observed in spectra of frozen glycerol/water solutions containing the triradical dopant DOTOPA-TEMPO when microwaves are applied. As demonstrations, we present DNP-enhanced one-dimensional and two-dimensional 13C MAS NMR spectra of frozen solutions of uniformly 13C-labeled L-alanine and melittin, a 26-residue helical peptide that we have synthesized with four uniformly 13C-labeled amino acids. PMID:23238592

  5. Chemistry and biochemistry of 13C hyperpolarized magnetic resonance using dynamic nuclear polarization.

    PubMed

    Keshari, Kayvan R; Wilson, David M

    2014-03-01

    The study of transient chemical phenomena by conventional NMR has proved elusive, particularly for non-(1)H nuclei. For (13)C, hyperpolarization using the dynamic nuclear polarization (DNP) technique has emerged as a powerful means to improve SNR. The recent development of rapid dissolution DNP methods has facilitated previously impossible in vitro and in vivo study of small molecules. This review presents the basics of the DNP technique, identification of appropriate DNP substrates, and approaches to increase hyperpolarized signal lifetimes. Also addressed are the biochemical events to which DNP-NMR has been applied, with descriptions of several probes that have met with in vivo success. PMID:24363044

  6. Chemistry and biochemistry of 13C hyperpolarized magnetic resonance using dynamic nuclear polarization

    PubMed Central

    Keshari, Kayvan R.; Wilson, David M.

    2014-01-01

    The study of transient chemical phenomena by conventional NMR has proved elusive, particularly for non-1H nuclei. For 13C, hyperpolarization using the dynamic nuclear polarization (DNP) technique has emerged as a powerful means to improve SNR. The recent development of rapid dissolution DNP methods has facilitated previously impossible in vitro and in vivo study of small molecules. This review presents the basics of the DNP technique, identification of appropriate DNP substrates, and approaches to increase hyperpolarized signal lifetimes. Also addressed are the biochemical events to which DNP-NMR has been applied, with descriptions of several probes that have met with in vivo success. PMID:24363044

  7. Multistability and spin diffusion enhanced lifetimes in dynamic nuclear polarization in a double quantum dot

    NASA Astrophysics Data System (ADS)

    Forster, F.; Mühlbacher, M.; Schuh, D.; Wegscheider, W.; Giedke, G.; Ludwig, S.

    2015-12-01

    The control of nuclear spins in quantum dots is essential to explore their many-body dynamics and exploit their prospects for quantum information processing. We present a unique combination of dynamic nuclear spin polarization and electric-dipole-induced spin resonance in an electrostatically defined double quantum dot (DQD) exposed to the strongly inhomogeneous field of two on-chip nanomagnets. Our experiments provide direct and unrivaled access to the nuclear spin polarization distribution and allow us to establish and characterize multiple fixed points. Further, we demonstrate polarization of the DQD environment by nuclear spin diffusion which significantly stabilizes the nuclear spins inside the DQD.

  8. Dynamic nuclear polarization of nitrogen-15 in benzamide.

    PubMed

    Hu, J Z; Zhou, J; Yang, B; Li, L; Qiu, J; Ye, C; Solum, M S; Wind, R A; Pugmire, R J; Grant, D M

    1997-04-01

    A 15N dynamic nuclear polarization (DNP) experiment is reported in which a 15N DNP enhancement factor of approximately 2.6 x 10(2) is obtained on free radical doped samples of 99% 15N labeled benzamide. The free radicals BDPA (1:1 complex of alpha, gamma-bisdiphenylene-beta-phenylallyl with benzene) and DPPH (2,2-Di(4-tert-octylphenyl)-1-picrylhydrazyl) are used as dopants and the spin relaxation effects of adding these dopants are studied by means of changes in proton and nitrogen T1 values of the samples. The combination in solids of a very low natural abundance, 0.37%, a small gyromagnetic ratio, and a long spin-lattice relaxation time for 15N nuclei create severe sensitivity problems that, in large part, are ameliorated by the signal enhancement observed in the 15N DNP experiment on samples containing free electrons. PMID:9203286

  9. Overhauser dynamic nuclear polarization amplification of NMR flow imaging

    NASA Astrophysics Data System (ADS)

    Lingwood, Mark D.; Sederman, Andrew J.; Mantle, Mick D.; Gladden, Lynn F.; Han, Songi

    2012-03-01

    We describe the first study comparing the ability of phase shift velocity imaging and Overhauser dynamic nuclear polarization (DNP)-enhanced imaging to generate contrast for visualizing the flow of water. Prepolarization of water by the Overhauser DNP mechanism is performed in the 0.35 T fringe field of an unshielded 2.0 T non-clinical MRI magnet, followed by the rapid transfer of polarization-enhanced water to the 2.0 T imaging location. This technique, previously named remotely enhanced liquids for image contrast (RELIC), produces a continuous flow of hyperpolarized water and gives up to an -8.2-fold enhanced signal within the image with respect to thermally polarized signal at 2.0 T. Using flow through a cylindrical expansion phantom as a model system, spin-echo intensity images with DNP are compared to 3D phase shift velocity images to illustrate the complementary information available from the two techniques. The spin-echo intensity images enhanced with DNP show that the levels of enhancement provide an estimate of the transient propagation of flow, while the phase shift velocity images quantitatively measure the velocity of each imaging voxel. Phase shift velocity images acquired with and without DNP show that DNP weights velocity values towards those of the inflowing (DNP-enhanced) water, while velocity images without DNP more accurately reflect the average steady-state velocity of each voxel. We conclude that imaging with DNP prepolarized water better captures the transient path of water shortly after injection, while phase shift velocity imaging is best for quantifying the steady-state flow of water throughout the entire phantom.

  10. Highly Repeatable Dissolution Dynamic Nuclear Polarization for Heteronuclear NMR Metabolomics.

    PubMed

    Bornet, Aurélien; Maucourt, Mickaël; Deborde, Catherine; Jacob, Daniel; Milani, Jonas; Vuichoud, Basile; Ji, Xiao; Dumez, Jean-Nicolas; Moing, Annick; Bodenhausen, Geoffrey; Jannin, Sami; Giraudeau, Patrick

    2016-06-21

    At natural (13)C abundance, metabolomics based on heteronuclear NMR is limited by sensitivity. We have recently demonstrated how hyperpolarization by dissolution dynamic nuclear polarization (D-DNP) assisted by cross-polarization (CP) provides a reliable way of enhancing the sensitivity of heteronuclear NMR in dilute mixtures of metabolites. In this Technical Note, we evaluate the precision of this experimental approach, a critical point for applications to metabolomics. The higher the repeatability, the greater the likelihood that one can detect small biologically relevant differences between samples. The average repeatability of our state-of-the-art D-DNP NMR equipment for samples of metabolomic relevance (20 mg dry weight tomato extracts) is 3.6% for signals above the limit of quantification (LOQ) and 6.4% when all the signals above the limit of detection (LOD) are taken into account. This first report on the repeatability of D-DNP highlights the compatibility of the technique with the requirements of metabolomics and confirms its potential as an analytical tool for such applications. PMID:27253320

  11. Accelerating Nuclear Magnetic Resonance (NMR) Analysis of Soil Organic Matter with Dynamic Nuclear Polarization (DNP) Enhancement

    NASA Astrophysics Data System (ADS)

    Normand, A. E.; Smith, A. N.; Long, J. R.; Reddy, K. R.

    2014-12-01

    13C magic angle spinning (MAS) solid state Nuclear Magnetic Resonance (ssNMR) has become an essential tool for discerning the chemical composition of soil organic matter (SOM). However, the technique is limited due to the inherent insensitivity of NMR resulting in long acquisition times, especially for low carbon (C) soil. The pursuits of higher magnetic fields or concentrating C with hydrofluoric acid are limited solutions for signal improvement. Recent advances in dynamic nuclear polarization (DNP) have addressed the insensitivity of NMR. DNP utilizes the greater polarization of an unpaired electron in a given magnetic field and transfers that polarization to an NMR active nucleus of interest via microwave irradiation. Signal enhancements of up to a few orders of magnitude have been achieved for various DNP experiments. In this novel study, we conduct DNP 13C cross-polarization (CP) MAS ssNMR experiments of SOM varying in soil C content and chemical composition. DNP signal enhancements reduce the experiment run time allowing samples with low C to be analyzed in hours rather than days. We compare 13C CP MAS ssNMR of SOM with multiple magnetic field strengths, hydrofluoric acid treatment, and novel DNP approaches. We also explore DNP surface enhanced NMR Spectroscopy (SENP) to determine the surface chemistry of SOM. The presented results and future DNP MAS ssNMR advances will lead to further understanding of the nature and processes of SOM.

  12. Boundary between the thermal and statistical polarization regimes in a nuclear spin ensemble

    NASA Astrophysics Data System (ADS)

    Herzog, B. E.; Cadeddu, D.; Xue, F.; Peddibhotla, P.; Poggio, M.

    2014-07-01

    As the number of spins in an ensemble is reduced, the statistical fluctuations in its polarization eventually exceed the mean thermal polarization. This transition has now been surpassed in a number of recent nuclear magnetic resonance experiments, which achieve nanometer-scale detection volumes. Here, we measure nanometer-scale ensembles of nuclear spins in a KPF6 sample using magnetic resonance force microscopy. In particular, we investigate the transition between regimes dominated by thermal and statistical nuclear polarization. The ratio between the two types of polarization provides a measure of the number of spins in the detected ensemble.

  13. Boundary between the thermal and statistical polarization regimes in a nuclear spin ensemble

    SciTech Connect

    Herzog, B. E.; Cadeddu, D.; Xue, F.; Peddibhotla, P.; Poggio, M.

    2014-07-28

    As the number of spins in an ensemble is reduced, the statistical fluctuations in its polarization eventually exceed the mean thermal polarization. This transition has now been surpassed in a number of recent nuclear magnetic resonance experiments, which achieve nanometer-scale detection volumes. Here, we measure nanometer-scale ensembles of nuclear spins in a KPF{sub 6} sample using magnetic resonance force microscopy. In particular, we investigate the transition between regimes dominated by thermal and statistical nuclear polarization. The ratio between the two types of polarization provides a measure of the number of spins in the detected ensemble.

  14. Solution NMR of polypeptides hyperpolarized by dynamic nuclear polarization.

    PubMed

    Ragavan, Mukundan; Chen, Hsueh-Ying; Sekar, Giridhar; Hilty, Christian

    2011-08-01

    Hyperpolarization of nuclear spins through techniques such as dynamic nuclear polarization (DNP) can greatly increase the signal-to-noise ratio in NMR measurements, thus eliminating the need for signal averaging. This enables the study of many dynamic processes which would otherwise not be amenable to study by NMR spectroscopy. A report of solid- to liquid-state DNP of a short peptide, bacitracin A, as well as of a full-length protein, L23, is presented here. The polypeptides are hyperpolarized at low temperature and dissolved for NMR signal acquisition in the liquid state in mixtures of organic solvent and water. Signal enhancements of 300-2000 are obtained in partially deuterated polypeptide when hyperpolarized on (13)C and of 30-180 when hyperpolarized on (1)H. A simulated spectrum is used to identify different resonances in the hyperpolarized (13)C spectra, and the relation between observed signal enhancement for various groups in the protein and relaxation parameters measured from the hyperpolarized samples is discussed. Thus far, solid- to liquid-state DNP has been used in conjunction with small molecules. The results presented here, however, demonstrate the feasibility of hyperpolarizing larger proteins, with potential applications toward the study of protein folding or macromolecular interactions. PMID:21651293

  15. Dynamic nuclear polarization in the hyperfine-field-dominant region

    NASA Astrophysics Data System (ADS)

    Lee, Seong-Joo; Shim, Jeong Hyun; Kim, Kiwoong; Yu, Kwon Kyu; Hwang, Seong-min

    2015-06-01

    Dynamic nuclear polarization (DNP) allows measuring enhanced nuclear magnetic resonance (NMR) signals. Though the efficiency of DNP has been known to increase at low fields, the usefulness of DNP has not been throughly investigated yet. Here, using a superconducting quantum interference device-based NMR system, we performed a series of DNP experiments with a nitroxide radical and measured DNP spectra at several magnetic fields down to sub-microtesla. In the DNP spectra, the large overlap of two peaks having opposite signs results in net enhancement factors, which are significantly lower than theoretical expectations [30] and nearly invariant with respect to magnetic fields below the Earth's field. The numerical analysis based on the radical's Hamiltonian provides qualitative explanations of such features. The net enhancement factor reached 325 at maximum experimentally, but our analysis reveals that the local enhancement factor at the center of the rf coil is 575, which is unaffected by detection schemes. We conclude that DNP in the hyperfine-field-dominant region yields sufficiently enhanced NMR signals at magnetic fields above 1 μ T.

  16. Coherent transfer of nuclear spin polarization in field-cycling NMR experiments

    SciTech Connect

    Pravdivtsev, Andrey N.; Yurkovskaya, Alexandra V.; Ivanov, Konstantin L.; Vieth, Hans-Martin

    2013-12-28

    Coherent polarization transfer effects in a coupled spin network have been studied over a wide field range. The transfer mechanism is based on exciting zero-quantum coherences between the nuclear spin states by means of non-adiabatic field jump from high to low magnetic field. Subsequent evolution of these coherences enables conversion of spin order in the system, which is monitored after field jump back to high field. Such processes are most efficient when the spin system passes through an avoided level crossing during the field variation. The polarization transfer effects have been demonstrated for N-acetyl histidine, which has five scalar coupled protons; the initial spin order has been prepared by applying RF-pulses at high magnetic field. The observed oscillatory transfer kinetics is taken as a clear indication of a coherent mechanism; level crossing effects have also been demonstrated. The experimental data are in very good agreement with the theoretical model of coherent polarization transfer. The method suggested is also valid for other types of initial polarization in the spin system, most notably, for spin hyperpolarization.

  17. Dynamic nuclear polarization using frequency modulation at 3.34 T

    NASA Astrophysics Data System (ADS)

    Hovav, Y.; Feintuch, A.; Vega, S.; Goldfarb, D.

    2014-01-01

    During dynamic nuclear polarization (DNP) experiments polarization is transferred from unpaired electrons to their neighboring nuclear spins, resulting in dramatic enhancement of the NMR signals. While in most cases this is achieved by continuous wave (cw) irradiation applied to samples in fixed external magnetic fields, here we show that DNP enhancement of static samples can improve by modulating the microwave (MW) frequency at a constant field of 3.34 T. The efficiency of triangular shaped modulation is explored by monitoring the 1H signal enhancement in frozen solutions containing different TEMPOL radical concentrations at different temperatures. The optimal modulation parameters are examined experimentally and under the most favorable conditions a threefold enhancement is obtained with respect to constant frequency DNP in samples with low radical concentrations. The results are interpreted using numerical simulations on small spin systems. In particular, it is shown experimentally and explained theoretically that: (i) The optimal modulation frequency is higher than the electron spin-lattice relaxation rate. (ii) The optimal modulation amplitude must be smaller than the nuclear Larmor frequency and the EPR line-width, as expected. (iii) The MW frequencies corresponding to the enhancement maxima and minima are shifted away from one another when using frequency modulation, relative to the constant frequency experiments.

  18. Nuclear polarization study: new frontiers for tests of QED in heavy highly charged ions.

    PubMed

    Volotka, Andrey V; Plunien, Günter

    2014-07-11

    A systematic investigation of the nuclear polarization effects in one- and few-electron heavy ions is presented. The nuclear polarization corrections in the zeroth and first orders in 1/Z are evaluated to the binding energies, the hyperfine splitting, and the bound-electron g factor. It is shown that the nuclear polarization contributions can be substantially canceled simultaneously with the rigid nuclear corrections. This allows for new prospects for probing the QED effects in a strong electromagnetic field and the determination of fundamental constants. PMID:25062173

  19. Nuclear spin polarized H and D by means of spin-exchange optical pumping

    NASA Astrophysics Data System (ADS)

    Stenger, Jörn; Grosshauser, Carsten; Kilian, Wolfgang; Nagengast, Wolfgang; Ranzenberger, Bernd; Rith, Klaus; Schmidt, Frank

    1998-01-01

    Optically pumped spin-exchange sources for polarized hydrogen and deuterium atoms have been demonstrated to yield high atomic flow and high electron spin polarization. For maximum nuclear polarization the source has to be operated in spin temperature equilibrium, which has already been demonstrated for hydrogen. In spin temperature equilibrium the nuclear spin polarization PI equals the electron spin polarization PS for hydrogen and is even larger than PS for deuterium. We discuss the general properties of spin temperature equilibrium for a sample of deuterium atoms. One result are the equations PI=4PS/(3+PS2) and Pzz=PSṡPI, where Pzz is the nuclear tensor polarization. Furthermore we demonstrate that the deuterium atoms from our source are in spin temperature equilibrium within the experimental accuracy.

  20. A model for the polarization of neurons by extrinsically applied electric fields.

    PubMed Central

    Tranchina, D; Nicholson, C

    1986-01-01

    A model is presented for the subthreshold polarization of a neuron by an applied electric field. It gives insight into how morphological features of a neuron affect its polarizability. The neuronal model consists of one or more extensively branched dendritic trees, a lumped somatic impedance, and a myelinated axon with nodes of Ranvier. The dendritic trees branch according to the 3/2-power rule of Rall, so that each tree has an equivalent cylinder representation. Equations for the membrane potential at the soma and at the nodes of Ranvier, given an arbitrary specified external potential, are derived. The solutions determine the contributions made by the dendritic tree and the axon to the net polarization at the soma. In the case of a spatially constant electric field, both the magnitude and sign of the polarization depend on simple combinations of parameters describing the neuron. One important combination is given by the ratio of internal resistances for longitudinal current spread along the dendritic tree trunk and along the axon. A second is given by the ratio between the DC space constant for the dendritic tree trunk and the distance between nodes of Ranvier in the axon. A third is given by the product of the electric field and the space constant for the trunk of the dendritic tree. When a neuron with a straight axon is subjected to a constant field, the membrane potential decays exponentially with distance from the soma. Thus, the soma seems to be a likely site for action potential initiation when the field is strong enough to elicit suprathreshold polarization. In a simple example, the way in which orientation of the various parts of the neuron affects its polarization is examined. When an axon with a bend is subjected to a spatially constant field, polarization is focused at the bend, and this is another likely site for action potential initiation. PMID:3801574

  1. Is solid-state NMR enhanced by dynamic nuclear polarization?

    PubMed

    Lee, Daniel; Hediger, Sabine; De Paëpe, Gaël

    2015-01-01

    The recent trend of high-field (~5-20 T), low-temperature (~100 K) ssNMR combined with dynamic nuclear polarization (DNP) under magic angle spinning (MAS) conditions is analyzed. A brief overview of the current theory of hyperpolarization for so-called MAS-DNP experiments is given, along with various reasons why the DNP-enhancement, the ratio of the NMR signal intensities obtained in the presence and absence of microwave irradiation suitable for hyperpolarization, should not be used alone to gauge the value of performing MAS-DNP experiments relative to conventional ssNMR. This is demonstrated through a dissection of the current conditions required for MAS-DNP with particular attention to resulting absolute sensitivities and spectral resolution. Consequently, sample preparation methods specifically avoiding the surplus of glass-forming solvents so as to improve the absolute sensitivity and resolution are discussed, as are samples that are intrinsically pertinent for MAS-DNP studies (high surface area, amorphous, and porous). Owing to their pertinence, examples of recent applications on these types of samples where chemically-relevant information has been obtained that would have been impossible without the sensitivity increases bestowed by MAS-DNP are also detailed. Additionally, a promising further implementation for MAS-DNP is exampled, whereby the sensitivity improvements shown for (correlation) spectroscopy of nuclei at low natural isotopic abundance, facilitate internuclear distance measurements, especially for long distances (absence of dipolar truncation). Finally, we give some speculative perspectives for MAS-DNP. PMID:25779337

  2. New Versions of Terahertz Radiation Sources for Dynamic Nuclear Polarization in Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bratman, V. L.; Kalynov, Yu. K.; Makhalov, P. B.; Fedotov, A. E.

    2014-01-01

    Dynamic nuclear polarization in strong-field nuclear magnetic resonance (NMR) spectroscopy requires terahertz radiation with moderate power levels. Nowadays, conventional gyrotrons are used almost exclusively to generate such radiation. In this review paper, we consider alternative variants of electronic microwave oscillators which require much weaker magnetic fields for their operation, namely, large-orbit gyrotrons operated at high cyclotron-frequency harmonics and Čerenkov-type devices, such as a backward-wave oscillator and a klystron frequency multiplier with tubular electron beams. Additionally, we consider the possibility to use the magnetic field created directly by the solenoid of an NMR spectrometer for operation of both the gyrotron and the backward-wave oscillator. Location of the oscillator in the spectrometer magnet makes it superfluous to use an additional superconducting magnet creating a strong field, significantly reduces the length of the radiation transmission line, and, in the case of Čerenkov-type devices, allows one to increase considerably the output-signal power. According to our calculations, all the electronic devices considered are capable of ensuring the power required for dynamic nuclear polarization (10 W or more) at a frequency of 260 GHz, whereas the gyrotrons, including their versions proposed in this paper, remain a single option at higher frequencies.

  3. Measurement of the nuclear polarization of hydrogen and deuterium molecules using a Lamb-shift polarimeter

    SciTech Connect

    Engels, Ralf Gorski, Robert; Grigoryev, Kiril; Mikirtychyants, Maxim; Rathmann, Frank; Seyfarth, Hellmut; Ströher, Hans; Weiss, Philipp; Kochenda, Leonid; Kravtsov, Peter; Trofimov, Viktor; Tschernov, Nikolay; Vasilyev, Alexander; Vznuzdaev, Marat; Schieck, Hans Paetz gen.

    2014-10-15

    Lamb-shift polarimeters are used to measure the nuclear polarization of protons and deuterons at energies of a few keV. In combination with an ionizer, the polarization of hydrogen and deuterium atoms was determined after taking into account the loss of polarization during the ionization process. The present work shows that the nuclear polarization of hydrogen or deuterium molecules can be measured as well, by ionizing the molecules and injecting the H{sub 2}{sup +} (or D{sub 2}{sup +}) ions into the Lamb-shift polarimeter.

  4. Theoretical treatment of pulsed Overhauser dynamic nuclear polarization: Consideration of a general periodic pulse sequence

    NASA Astrophysics Data System (ADS)

    Nasibulov, E. A.; Kiryutin, A. S.; Yurkovskaya, A. V.; Vieth, H.-M.; Ivanov, K. L.

    2016-05-01

    A general theoretical approach to pulsed Overhauser-type dynamic nuclear polarization (DNP) is presented. Dynamic nuclear polarization is a powerful method to create non-thermal polarization of nuclear spins, thereby enhancing their nuclear magnetic resonance signals. The theory presented can treat pulsed microwave irradiation of electron paramagnetic resonance transitions for periodic pulse sequences of general composition. Dynamic nuclear polarization enhancement is analyzed in detail as a function of the microwave pulse length for rectangular pulses and pulses with finite rise time. Characteristic oscillations of the DNP enhancement are found when the pulse-length is stepwise increased, originating from coherent motion of the electron spins driven by the pulses. Experimental low-field DNP data are in very good agreement with this theoretical approach.

  5. Nuclear safety as applied to space power reactor systems

    SciTech Connect

    Cummings, G.E.

    1987-01-01

    To develop a strategy for incorporating and demonstrating safety, it is necessary to enumerate the unique aspects of space power reactor systems from a safety standpoint. These features must be differentiated from terrestrial nuclear power plants so that our experience can be applied properly. Some ideas can then be developed on how safe designs can be achieved so that they are safe and perceived to be safe by the public. These ideas include operating only after achieving a stable orbit, developing an inherently safe design, ''designing'' in safety from the start and managing the system development (design) so that it is perceived safe. These and other ideas are explored further in this paper.

  6. Optically Induced Nuclear Spin Polarization in the Quantum Hall Regime: The Effect of Electron Spin Polarization through Exciton and Trion Excitations

    NASA Astrophysics Data System (ADS)

    Akiba, K.; Kanasugi, S.; Yuge, T.; Nagase, K.; Hirayama, Y.

    2015-07-01

    We study nuclear spin polarization in the quantum Hall regime through the optically pumped electron spin polarization in the lowest Landau level. The nuclear spin polarization is measured as a nuclear magnetic field BN by means of the sensitive resistive detection. We find the dependence of BN on the filling factor nonmonotonic. The comprehensive measurements of BN with the help of the circularly polarized photoluminescence measurements indicate the participation of the photoexcited complexes, i.e., the exciton and trion (charged exciton), in nuclear spin polarization. On the basis of a novel estimation method of the equilibrium electron spin polarization, we analyze the experimental data and conclude that the filling factor dependence of BN is understood by the effect of electron spin polarization through excitons and trions.

  7. Optically Induced Nuclear Spin Polarization in the Quantum Hall Regime: The Effect of Electron Spin Polarization through Exciton and Trion Excitations.

    PubMed

    Akiba, K; Kanasugi, S; Yuge, T; Nagase, K; Hirayama, Y

    2015-07-10

    We study nuclear spin polarization in the quantum Hall regime through the optically pumped electron spin polarization in the lowest Landau level. The nuclear spin polarization is measured as a nuclear magnetic field B(N) by means of the sensitive resistive detection. We find the dependence of B(N) on the filling factor nonmonotonic. The comprehensive measurements of B(N) with the help of the circularly polarized photoluminescence measurements indicate the participation of the photoexcited complexes, i.e., the exciton and trion (charged exciton), in nuclear spin polarization. On the basis of a novel estimation method of the equilibrium electron spin polarization, we analyze the experimental data and conclude that the filling factor dependence of B(N) is understood by the effect of electron spin polarization through excitons and trions. PMID:26207494

  8. Dynamics of nuclear spin polarization induced and detected by coherently precessing electron spins in fluorine-doped ZnSe

    NASA Astrophysics Data System (ADS)

    Heisterkamp, F.; Kirstein, E.; Greilich, A.; Zhukov, E. A.; Kazimierczuk, T.; Yakovlev, D. R.; Pawlis, A.; Bayer, M.

    2016-02-01

    We study the dynamics of optically induced nuclear spin polarization in a fluorine-doped ZnSe epilayer via time-resolved Kerr rotation. The nuclear polarization in the vicinity of a fluorine donor is induced by interaction with coherently precessing electron spins in a magnetic field applied in the Voigt geometry. It is detected by nuclei-induced changes in the electron spin coherence signal. This all-optical technique allows us to measure the longitudinal spin relaxation time T1 of the 77Se isotope in a magnetic field range from 10 to 130 mT under illumination. We combine the optical technique with radio frequency methods to address the coherent spin dynamics of the nuclei and measure Rabi oscillations, Ramsey fringes, and the nuclear spin echo. The inhomogeneous spin dephasing time T2* and the spin coherence time T2 of the 77Se isotope are measured. While the T1 time is on the order of several milliseconds, the T2 time is several hundred microseconds. The experimentally determined condition T1≫T2 verifies the validity of the classical model of nuclear spin cooling for describing the optically induced nuclear spin polarization.

  9. Self-Polarization and Dynamical Cooling of Nuclear Spins in Double Quantum Dots

    NASA Astrophysics Data System (ADS)

    Rudner, M. S.; Levitov, L. S.

    2007-07-01

    The spin-blockade regime of double quantum dots features coupled dynamics of electron and nuclear spins resulting from the hyperfine interaction. We explain observed nuclear self-polarization via a mechanism based on feedback of the Overhauser shift on electron energy levels, and propose to use the instability toward self-polarization as a vehicle for controlling the nuclear spin distribution. In the dynamics induced by a properly chosen time-dependent magnetic field, nuclear spin fluctuations can be suppressed significantly below the thermal level.

  10. : a highly water-soluble biradical for efficient dynamic nuclear polarization of biomolecules.

    PubMed

    Jagtap, Anil P; Geiger, Michel-Andreas; Stöppler, Daniel; Orwick-Rydmark, Marcella; Oschkinat, Hartmut; Sigurdsson, Snorri Th

    2016-05-19

    Dynamic nuclear polarization (DNP) is an efficient method to overcome the inherent low sensitivity of magic-angle spinning (MAS) solid-state NMR. We report a new polarizing agent (), designed for biological applications, that yielded an enhancement value of 244 in a microcrystalline SH3 domain sample at 110 K. PMID:27161650

  11. Effect of lanthanide ions on dynamic nuclear polarization enhancement and liquid-state T1 relaxation.

    PubMed

    Gordon, Jeremy W; Fain, Sean B; Rowland, Ian J

    2012-12-01

    In the dynamic nuclear polarization process, microwave irradiation facilitates exchange of polarization from a radical's unpaired electron to nuclear spins at cryogenic temperatures, increasing polarization by >10,000. Doping samples with Gd(3+) ions further increases the achievable solid-state polarization. However, on dissolution, paramagnetic lanthanide metals can be potent relaxation agents, decreasing liquid-state polarization. Here, the effects of lanthanide metals on the solid and liquid-state magnetic properties of [1-(13)C]pyruvate are studied. The results show that in addition to gadolinium, holmium increases not only the achievable polarization but also the rate of polarization. Liquid-state relaxation studies found that unlike gadolinium, holmium minimally affects T(1). Additionally, results reveal that linear contrast agents dissociate in pyruvic acid, greatly reducing liquid-state T(1). Although macrocyclic agents do not readily dissociate, they yield lower solid-state polarization. Results indicate that polarization with free lanthanides and subsequent chelation during dissolution produces the highest polarization enhancement while minimizing liquid-state relaxation. PMID:22367680

  12. Effect of Lanthanide Ions on Dynamic Nuclear Polarization Enhancement and Liquid State T1 Relaxation

    PubMed Central

    Gordon, Jeremy; Fain, Sean B.; Rowland, Ian J

    2012-01-01

    In the dynamic nuclear polarization process, microwave irradiation facilitates exchange of polarization from a radical’s unpaired electron to nuclear spins at cryogenic temperatures, increasing polarization by >10000. Doping samples with Gd3+ ions further increases the achievable solid-state polarization. However, upon dissolution, paramagnetic lanthanide metals can be potent relaxation agents, decreasing liquid-state polarization. Here, the effects of lanthanide metals on the solid and liquid-state magnetic properties of [1-13C]pyruvate are studied. The results show that in addition to gadolinium, holmium not only increases the achievable polarization but also the rate of polarization. Liquid-state relaxation studies found that unlike gadolinium, holmium minimally affects T1. Additionally, results reveal that linear contrast agents dissociate in pyruvic acid, greatly reducing liquid-state T1. While macrocyclic agents do not readily dissociate, they yield lower solid-state polarization. Results indicate that polarization with free lanthanides and subsequent chelation during dissolution produces the highest polarization enhancement while minimizing liquid-state relaxation. PMID:22367680

  13. Confinement and Diffusion Effects in Dynamical Nuclear Polarization in Low Dimensional Nanostructures

    NASA Astrophysics Data System (ADS)

    Henriksen, Dan; Tifrea, Ionel

    2012-02-01

    We investigate the dynamic nuclear polarization as it results from the hyperfine coupling between nonequilibrium electronic spins and nuclear spins in semiconductor nanostructures. The natural confinement provided by low dimensional nanostructures is responsible for an efficient nuclear spin - electron spin hyperfine coupling [1] and for a reduced value of the nuclear spin diffusion constant [2]. In the case of optical pumping, the induced nuclear spin polarization is position dependent even in the presence of nuclear spin diffusion. This effect should be measurable via optically induced nuclear magnetic resonance or time-resolved Faraday rotation experiments. We discuss the implications of our calculations for the case of GaAs quantum well structures.[4pt] [1] I. Tifrea and M. E. Flatt'e, Phys. Rev. B 84, 155319 (2011).[0pt] [2] A. Malinowski and R. T. Harley, Solid State Commun. 114, 419 (2000).

  14. Automated Variance Reduction Applied to Nuclear Well-Logging Problems

    SciTech Connect

    Wagner, John C; Peplow, Douglas E.; Evans, Thomas M

    2009-01-01

    typically performed for each desired detector response. This paper summarizes recent work to apply and evaluate the effectiveness of deterministic-adjoint-based variance reduction methods, including a recently developed method for simultaneous optimization of multiple detectors, for two simple nuclear well-logging tool problems that have been widely used in the variance reduction literature. The computational effectiveness of the method for simultaneous optimization is also compared to the use of multiple, individually optimized simulations for these simple well-logging problems.

  15. Automated Variance Reduction Applied to Nuclear Well-Logging Problems

    SciTech Connect

    Wagner, John C; Peplow, Douglas E.; Evans, Thomas M

    2008-01-01

    typically performed for each desired detector response. This paper summarizes recent work to apply and evaluate the effectiveness of deterministic-adjoint-based variance reduction methods, including a recently developed method for simultaneous optimization of multiple detectors, for two simple nuclear well-logging tool problems that have been widely used in the variance reduction literature. The computational effectiveness of the method for simultaneous optimization is also compared to the use of multiple, individually optimized simulations for these simple well-logging problems.

  16. Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: The importance of level crossings

    PubMed Central

    Thurber, Kent R.; Tycko, Robert

    2012-01-01

    We present theoretical calculations of dynamic nuclear polarization (DNP) due to the cross effect in nuclear magnetic resonance under magic-angle spinning (MAS). Using a three-spin model (two electrons and one nucleus), cross effect DNP with MAS for electron spins with a large g-anisotropy can be seen as a series of spin transitions at avoided crossings of the energy levels, with varying degrees of adiabaticity. If the electron spin-lattice relaxation time T1e is large relative to the MAS rotation period, the cross effect can happen as two separate events: (i) partial saturation of one electron spin by the applied microwaves as one electron spin resonance (ESR) frequency crosses the microwave frequency and (ii) flip of all three spins, when the difference of the two ESR frequencies crosses the nuclear frequency, which transfers polarization to the nuclear spin if the two electron spins have different polarizations. In addition, adiabatic level crossings at which the two ESR frequencies become equal serve to maintain non-uniform saturation across the ESR line. We present analytical results based on the Landau-Zener theory of adiabatic transitions, as well as numerical quantum mechanical calculations for the evolution of the time-dependent three-spin system. These calculations provide insight into the dependence of cross effect DNP on various experimental parameters, including MAS frequency, microwave field strength, spin relaxation rates, hyperfine and electron-electron dipole coupling strengths, and the nature of the biradical dopants. PMID:22938251

  17. Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: the importance of level crossings.

    PubMed

    Thurber, Kent R; Tycko, Robert

    2012-08-28

    We present theoretical calculations of dynamic nuclear polarization (DNP) due to the cross effect in nuclear magnetic resonance under magic-angle spinning (MAS). Using a three-spin model (two electrons and one nucleus), cross effect DNP with MAS for electron spins with a large g-anisotropy can be seen as a series of spin transitions at avoided crossings of the energy levels, with varying degrees of adiabaticity. If the electron spin-lattice relaxation time T(1e) is large relative to the MAS rotation period, the cross effect can happen as two separate events: (i) partial saturation of one electron spin by the applied microwaves as one electron spin resonance (ESR) frequency crosses the microwave frequency and (ii) flip of all three spins, when the difference of the two ESR frequencies crosses the nuclear frequency, which transfers polarization to the nuclear spin if the two electron spins have different polarizations. In addition, adiabatic level crossings at which the two ESR frequencies become equal serve to maintain non-uniform saturation across the ESR line. We present analytical results based on the Landau-Zener theory of adiabatic transitions, as well as numerical quantum mechanical calculations for the evolution of the time-dependent three-spin system. These calculations provide insight into the dependence of cross effect DNP on various experimental parameters, including MAS frequency, microwave field strength, spin relaxation rates, hyperfine and electron-electron dipole coupling strengths, and the nature of the biradical dopants. PMID:22938251

  18. High-Field Dynamic Nuclear Polarization for Solid and Solution Biological NMR

    PubMed Central

    Barnes, A.B.; Paëpe, G. De; van der Wel, P.C.A.; Hu, K.-N.; Joo, C.-G.; Bajaj, V.S.; Mak-Jurkauskas, M.L.; Sirigiri, J.R.; Herzfeld, J.; Temkin, R.J.; Griffin, R.G.

    2008-01-01

    Dynamic nuclear polarization (DNP) results in a substantial nuclear polarization enhancement through a transfer of the magnetization from electrons to nuclei. Recent years have seen considerable progress in the development of DNP experiments directed towards enhancing sensitivity in biological nuclear magnetic resonance (NMR). This review covers the applications, hardware, polarizing agents, and theoretical descriptions that were developed at the Francis Bitter Magnet Laboratory at Massachusetts Institute of Technology for high-field DNP experiments. In frozen dielectrics, the enhanced nuclear polarization developed in the vicinity of the polarizing agent can be efficiently dispersed to the bulk of the sample via 1H spin diffusion. This strategy has been proven effective in polarizing biologically interesting systems, such as nanocrystalline peptides and membrane proteins, without leading to paramagnetic broadening of the NMR signals. Gyrotrons have been used as a source of high-power (5–10 W) microwaves up to 460 GHz as required for the DNP experiments. Other hardware has also been developed allowing in situ microwave irradiation integrated with cryogenic magic-angle-spinning solid-state NMR. Advances in the quantum mechanical treatment are successful in describing the mechanism by which new biradical polarizing agents yield larger enhancements at higher magnetic fields. Finally, pulsed methods and solution experiments should play a prominent role in the future of DNP. PMID:19194532

  19. IBA-Europhysics Prize in Applied Nuclear Science and Nuclear Methods in Medicine

    NASA Astrophysics Data System (ADS)

    MacGregor, I. J. Douglas

    2014-03-01

    The Nuclear Physics Board of the European Physical Society is pleased to announce that the 2013 IBA-Europhysics Prize in Applied Nuclear Science and Nuclear Methods in Medicine is awarded to Prof. Marco Durante, Director of the Biophysics Department at GSI Helmholtz Center (Darmstadt, Germany); Professor at the Technical University of Darmstadt (Germany) and Adjunct Professor at the Temple University, Philadelphia, USA. The prize was presented in the closing Session of the INPC 2013 conference by Mr. Thomas Servais, R&D Manager for Accelerator Development at the IBA group, who sponsor the IBA Europhysics Prize. The Prize Diploma was presented by Dr. I J Douglas MacGregor, Chair-elect of the EPS Nuclear Physics Division and Chair of the IBA Prize committee.

  20. Applying fast calorimetry on a spent nuclear fuel calorimeter

    SciTech Connect

    Liljenfeldt, Henrik

    2015-04-15

    Recently at Los Alamos National Laboratory, sophisticated prediction algorithms have been considered for the use of calorimetry for treaty verification. These algorithms aim to predict the equilibrium temperature based on early data and therefore be able to shorten the measurement time while maintaining good accuracy. The algorithms have been implemented in MATLAB and applied on existing equilibrium measurements from a spent nuclear fuel calorimeter located at the Swedish nuclear fuel interim storage facility. The results show significant improvements in measurement time in the order of 15 to 50 compared to equilibrium measurements, but cannot predict the heat accurately in less time than the currently used temperature increase method can. This Is both due to uncertainties in the calibration of the method as well as identified design features of the calorimeter that limits the usefulness of equilibrium type measurements. The conclusions of these findings are discussed, and suggestions of both improvements of the current calorimeter as well as what to keep in mind in a new design are given.

  1. Hyperpolarization of Thin Films with Dynamic Nuclear Polarization Using Photoexcited Triplet Electrons

    NASA Astrophysics Data System (ADS)

    Tateishi, Kenichiro; Negoro, Makoto; Kagawa, Akinori; Uesaka, Tomohiro; Kitagawa, Masahiro

    2013-08-01

    With dynamic nuclear polarization using the photoexcited triplet electron spin (triplet-DNP) of pentacene, nuclear spins can be hyperpolarized even in a low magnetic field at room temperature. Several demonstrations have been performed using bulk crystals. Hyperpolarization in a thin film with triplet-DNP enables new applications, such as general NMR spectroscopy and the polarized target of unstable nuclei. In this work, we succeeded in polarizing 1H spins in a thin film fabricated by the cell method. We obtained a 1H spin polarization of 12.9% using a 7-μm-thick film of p-terphenyl doped with pentacene in 0.4 T at room temperature. We also obtained a 1H spin polarization of 3.9% in 0.4 T at 150 K using a 60-μm-thick film of trans-stilbene doped with pentacene, whose single crystal cannot be made easily by conventional methods.

  2. Strongly polarizing weakly coupled 13C nuclear spins with optically pumped nitrogen-vacancy center

    PubMed Central

    Wang, Ping; Liu, Bao; Yang, Wen

    2015-01-01

    Enhancing the polarization of nuclear spins surrounding the nitrogen-vacancy (NV) center in diamond has recently attracted widespread attention due to its various applications. Here we present an analytical formula that not only provides a clear physical picture for the recently observed polarization reversal of strongly coupled13C nuclei over a narrow range of magnetic field [H. J. Wang et al., Nat. Commun. 4, 1940 (2013)], but also demonstrates the possibility to strongly polarize weakly coupled13C nuclei. This allows sensitive magnetic field control of the 13C nuclear spin polarization for NMR applications and significant suppression of the 13C nuclear spin noise to prolong the NV spin coherence time. PMID:26521962

  3. Comparative study of nuclear effects in polarized electron scattering from 3He

    DOE PAGESBeta

    Ethier, Jacob James; Melnitchouk, Wally

    2013-11-04

    We present a detailed analysis of nuclear effects in inclusive electron scattering from polarized 3He nuclei for polarization asymmetries, structure functions and their moments, both in the nucleon resonance and deep-inelastic regions. We compare the results of calculations within the weak binding approximation at finite Q2 with the effective polarization ansatz often used in experimental data analyses, and explore the impact of Δ components in the nuclear wave function and nucleon off-shell corrections on extractions of the free neutron structure. Using the same framework we also make predictions for the Q2 dependence of quasielastic scattering from polarized 3He, data onmore » which can be used to constrain the spin-dependent nuclear smearing functions in 3He.« less

  4. Comparative study of nuclear effects in polarized electron scattering from 3 He

    DOE PAGESBeta

    Ethier, J. J.; Melnitchouk, W.

    2013-11-01

    We present a detailed analysis of nuclear effects in inclusive electron scattering from polarized 3He nuclei for polarization asymmetries, structure functions and their moments, both in the nucleon resonance and deep-inelastic regions. We compare the results of calculations within the weak binding approximation at finite Q2 with the effective polarization ansatz often used in experimental data analyses, and explore the impact of Δ components in the nuclear wave function and nucleon off-shell corrections on extractions of the free neutron structure. Using the same framework we also make predictions for the Q2 dependence of quasielastic scattering from polarized 3He, data onmore » which can be used to constrain the spin-dependent nuclear smearing functions in 3He.« less

  5. Nuclear-polarization correction to the bound-electron g factor in heavy hydrogenlike ions.

    PubMed

    Nefiodov, A V; Plunien, G; Soff, G

    2002-08-19

    The influence of nuclear polarization on the bound-electron g factor in heavy hydrogenlike ions is investigated. Numerical calculations are performed for the K- and L-shell electrons taking into account the dominant virtual nuclear excitations. This determines the ultimate limit for tests of QED utilizing measurements of the bound-electron g factor in highly charged ions. PMID:12190457

  6. A high-pressure polarized 3He gas target for nuclear-physics experiments using a polarized photon beam

    NASA Astrophysics Data System (ADS)

    Ye, Q.; Laskaris, G.; Chen, W.; Gao, H.; Zheng, W.; Zong, X.; Averett, T.; Cates, G. D.; Tobias, W. A.

    2010-04-01

    Following the first experiment on three-body photodisintegration of polarized 3He utilizing circularly polarized photons from High-Intensity Gamma Source (HI γ S) at Duke Free Electron Laser Laboratory (DFELL), a new high-pressure polarized 3He target cell made of pyrex glass coated with a thin layer of sol-gel doped with aluminum nitrate nonahydrate has been built in order to reduce the photon beam-induced background. The target is based on the technique of spin exchange optical pumping of hybrid rubidium and potassium and the highest polarization achieved is ˜ 62% determined from both NMR-AFP and EPR polarimetries. The phenomenological parameter that reflects the additional unknown spin relaxation processes, X , is estimated to be ˜ 0.10 and the performance of the target is in good agreement with theoretical predictions. We also present beam test results from this new target cell and the comparison with the GE180 3He target cell used previously at HI γ S. This is the first time that the sol-gel coating technique has been used in a polarized 3He target for nuclear-physics experiments.

  7. Precision measurement of the nuclear polarization in laser-cooled, optically pumped 37K

    NASA Astrophysics Data System (ADS)

    Fenker, B.; Behr, J. A.; Melconian, D.; Anderson, R. M. A.; Anholm, M.; Ashery, D.; Behling, R. S.; Cohen, I.; Craiciu, I.; Donohue, J. M.; Farfan, C.; Friesen, D.; Gorelov, A.; McNeil, J.; Mehlman, M.; Norton, H.; Olchanski, K.; Smale, S.; Thériault, O.; Vantyghem, A. N.; Warner, C. L.

    2016-07-01

    We report a measurement of the nuclear polarization of laser-cooled, optically pumped 37K atoms which will allow us to precisely measure angular correlation parameters in the {β }+-decay of the same atoms. These results will be used to test the V ‑ A framework of the weak interaction at high precision. At the Triumf neutral atom trap (Trinat), a magneto-optical trap confines and cools neutral 37K atoms and optical pumping spin-polarizes them. We monitor the nuclear polarization of the same atoms that are decaying in situ by photoionizing a small fraction of the partially polarized atoms and then use the standard optical Bloch equations to model their population distribution. We obtain an average nuclear polarization of \\bar{P}=0.9913+/- 0.0009, which is significantly more precise than previous measurements with this technique. Since our current measurement of the β-asymmetry has 0.2 % statistical uncertainty, the polarization measurement reported here will not limit its overall uncertainty. This result also demonstrates the capability to measure the polarization to \\lt 0.1 % , allowing for a measurement of angular correlation parameters to this level of precision, which would be competitive in searches for new physics.

  8. Efficient dynamic nuclear polarization of phosphorus in silicon in strong magnetic fields and at low temperatures

    NASA Astrophysics Data System (ADS)

    Järvinen, J.; Ahokas, J.; Sheludyakov, S.; Vainio, O.; Lehtonen, L.; Vasiliev, S.; Zvezdov, D.; Fujii, Y.; Mitsudo, S.; Mizusaki, T.; Gwak, M.; Lee, SangGap; Lee, Soonchil; Vlasenko, L.

    2014-12-01

    Efficient manipulation of nuclear spins is important for utilizing them as qubits for quantum computing. In this work we report record high polarizations of 31P and 29Si nuclear spins in P-doped silicon in a strong magnetic field (4.6 T) and at temperatures below 1 K. We reached 31P nuclear polarization values exceeding 98 % after 20 min of pumping the high-field electron spin resonance (ESR) line with a very small microwave power of 0.4 μ W . We evaluate that the ratio of the hyperfine-state populations increases by three orders of magnitude after 2 hours of pumping, and an extremely pure nuclear spin state can be created, with less than 0.01 ppb impurities. A negative dynamic nuclear polarization has been observed by pumping the low-field ESR line of 31P followed by the flip-flip cross relaxation, the transition which is fully forbidden for isolated donors. We estimate that while pumping the ESR transitions of 31P also the nuclei of 29Si get polarized, and polarization exceeding 60 % has been obtained. We performed measurements of relaxation rates of flip-flop and flip-flip transitions which turned out to be nearly temperature independent. Temperature dependence of the 31P nuclear relaxation was studied down to 0.75 K, below which the relaxation time became too long to be measured. We found that the polarization evolution under pumping and during relaxation deviates substantially from a simple exponential function of time. We suggest that the nonexponential polarization dynamics of 31P donors is mediated by the orientation of 29Si nuclei, which affect the transition probabilities of the forbidden cross-relaxation processes.

  9. Propagation of dynamic nuclear polarization across the xenon cluster boundaries: Elucidation of the spin-diffusion bottleneck

    NASA Astrophysics Data System (ADS)

    Pourfathi, M.; Kuzma, N. N.; Kara, H.; Ghosh, R. K.; Shaghaghi, H.; Kadlecek, S. J.; Rizi, R. R.

    2013-10-01

    Earlier Dynamic Nuclear Polarization (DNP) experiments with frozen xenon/1-propanol/trityl mixtures have demonstrated spontaneous formation of pure xenon clusters above 120 K, enabling spectrally-resolved real-time measurements of 129Xe nuclear magnetization in the clusters and in the surrounding radical-rich matrix. A spin-diffusion bottleneck was postulated to explain the peculiar time evolution of 129Xe signals in the clusters as well as the apparent discontinuity of 129Xe polarization across the cluster boundaries. A self-contained ab initio model of nuclear spin diffusion in heterogeneous systems is developed here, incorporating the intrinsic T1 relaxation towards the temperature-dependent equilibrium polarization and the spin-diffusion coefficients based on the measured NMR line widths and the known atomic densities in each compartment. This simple model provides the physical basis for the observed spin-diffusion bottleneck and is in a good quantitative agreement with the earlier measurements. A simultaneous fit of the model to the time-dependent NMR data at two different DNP frequencies provides excellent estimates of the cluster size, the intrinsic sample temperature, and 129Xe T1 constants. The model was also applied to the NMR data acquired during relaxation towards the thermal equilibrium after the microwaves were turned off, to estimate T1 relaxation time constants inside and outside the clusters. Fitting the model to the data during and after DNP provides consistent estimates of the cluster size.

  10. Application of blind source separation to real-time dissolution dynamic nuclear polarization.

    PubMed

    Hilty, Christian; Ragavan, Mukundan

    2015-01-20

    The use of a blind source separation (BSS) algorithm is demonstrated for the analysis of time series of nuclear magnetic resonance (NMR) spectra. This type of data is obtained commonly from experiments, where analytes are hyperpolarized using dissolution dynamic nuclear polarization (D-DNP), both in in vivo and in vitro contexts. High signal gains in D-DNP enable rapid measurement of data sets characterizing the time evolution of chemical or metabolic processes. BSS is based on an algorithm that can be applied to separate the different components contributing to the NMR signal and determine the time dependence of the signals from these components. This algorithm requires minimal prior knowledge of the data, notably, no reference spectra need to be provided, and can therefore be applied rapidly. In a time-resolved measurement of the enzymatic conversion of hyperpolarized oxaloacetate to malate, the two signal components are separated into computed source spectra that closely resemble the spectra of the individual compounds. An improvement in the signal-to-noise ratio of the computed source spectra is found compared to the original spectra, presumably resulting from the presence of each signal more than once in the time series. The reconstruction of the original spectra yields the time evolution of the contributions from the two sources, which also corresponds closely to the time evolution of integrated signal intensities from the original spectra. BSS may therefore be an approach for the efficient identification of components and estimation of kinetics in D-DNP experiments, which can be applied at a high level of automation. PMID:25506716

  11. Predicting the future distribution of Polar Bear Habitat in the polar basin from resource selection functions applied to 21st century general circulation model projections of sea ice

    USGS Publications Warehouse

    Durner, George M.; Douglas, David C.; Nielson, Ryan M.; Amstrup, Steven C.; McDonald, Trent L.

    2007-01-01

    Predictions of polar bear (Ursus maritimus) habitat distribution in the Arctic polar basin during the 21st century were developed to help understand the likely consequences of anticipated sea ice reductions on polar bear populations. We used location data from satellite-collared polar bears and environmental data (e.g., bathymetry, coastlines, and sea ice) collected between 1985–1995 to build habitat use models called Resource Selection Functions (RSF). The RSFs described habitats polar bears preferred in each of four seasons: summer (ice minimum), autumn (growth), winter (ice maximum) and spring (melt). When applied to the model source data and to independent data (1996–2006), the RSFs consistently identified habitats most frequently used by polar bears. We applied the RSFs to monthly maps of 21st century sea ice concentration predicted by 10 general circulation models (GCM) described in the International Panel of Climate Change Fourth Assessment Report. The 10 GCMs we used had high concordance between their simulations of 20th century summer sea ice extent and the actual ice extent derived from passive microwave satellite observations. Predictions of the amount and rate of change in polar bear habitat varied among GCMs, but all GCMs predicted net habitat losses in the polar basin during the 21st century. Projected losses in the highest-valued RSF habitat (optimal habitat) were greatest in the peripheral seas of the polar basin, especially the Chukchi Sea and Barents Sea. Losses were least in high-latitude regions where RSFs predicted an initial increase in optimal habitat followed by a modest decline. The largest seasonal reductions in habitat were predicted for spring and summer. Average area of optimal polar bear habitat during summer in the polar basin declined from an observed 1.0 million km2 in 1985–1995 (baseline) to a projected multi-model average of 0.58 million km2 in 2045–2054 (-42% change), 0.36 million km2 in 2070–2079 (-64% change), and 0

  12. Resonance-inclined optical nuclear spin polarization of liquids in diamond structures

    NASA Astrophysics Data System (ADS)

    Chen, Q.; Schwarz, I.; Jelezko, F.; Retzker, A.; Plenio, M. B.

    2016-02-01

    Dynamic nuclear polarization (DNP) of molecules in a solution at room temperature has the potential to revolutionize nuclear magnetic resonance spectroscopy and imaging. The prevalent methods for achieving DNP in solutions are typically most effective in the regime of small interaction correlation times between the electron and nuclear spins, limiting the size of accessible molecules. To solve this limitation, we design a mechanism for DNP in the liquid phase that is applicable for large interaction correlation times. Importantly, while this mechanism makes use of a resonance condition similar to solid-state DNP, the polarization transfer is robust to a relatively large detuning from the resonance due to molecular motion. We combine this scheme with optically polarized nitrogen-vacancy (NV) center spins in nanodiamonds to design a setup that employs optical pumping and is therefore not limited by room temperature electron thermal polarization. We illustrate numerically the effectiveness of the model in a flow cell containing nanodiamonds immobilized in a hydrogel, polarizing flowing water molecules 4700-fold above thermal polarization in a magnetic field of 0.35 T, in volumes detectable by current NMR scanners.

  13. Polarization and Color Filtering Applied to Enhance Photogrammetric Measurements of Reflective Surfaces

    NASA Technical Reports Server (NTRS)

    Wells, Jeffrey M.; Jones, Thomas W.; Danehy, Paul M.

    2005-01-01

    Techniques for enhancing photogrammetric measurement of reflective surfaces by reducing noise were developed utilizing principles of light polarization. Signal selectivity with polarized light was also compared to signal selectivity using chromatic filters. Combining principles of linear cross polarization and color selectivity enhanced signal-to-noise ratios by as much as 800 fold. More typical improvements with combining polarization and color selectivity were about 100 fold. We review polarization-based techniques and present experimental results comparing the performance of traditional retroreflective targeting materials, cornercube targets returning depolarized light, and color selectivity.

  14. Polarized Nuclei: From Fundamental Nuclear Physics To Applications In Neutron Scattering and Magnetic Resonance Imaging

    SciTech Connect

    Brandt, B. van den; Hautle, P.; Konter, J. A.; Kurdzesau, F.; Piegsa, F. M.; Urrego-Blanco, J.-P.

    2008-02-06

    The methods of dynamically polarizing nuclei (DNP) have not only lead to the development of increasingly sophisticated polarized targets with which the role of spin in nuclear and particle interactions is investigated, but have also opened new possibilities in neutron science by exploiting the strong spin dependence of the neutron scattering. Very recently NMR and MRI have been a driving force behind a surge of interest in DNP methods, considering its tremendous potential for sensitivity enhancement. An overview of our current projects with dynamically polarized nuclei is given.

  15. Recursive polarization of nuclear spins in diamond at arbitrary magnetic fields

    SciTech Connect

    Pagliero, Daniela; Laraoui, Abdelghani; Henshaw, Jacob D.; Meriles, Carlos A.

    2014-12-15

    We introduce an alternate route to dynamically polarize the nuclear spin host of nitrogen-vacancy (NV) centers in diamond. Our approach articulates optical, microwave, and radio-frequency pulses to recursively transfer spin polarization from the NV electronic spin. Using two complementary variants of the same underlying principle, we demonstrate nitrogen nuclear spin initialization approaching 80% at room temperature both in ensemble and single NV centers. Unlike existing schemes, our approach does not rely on level anti-crossings and is thus applicable at arbitrary magnetic fields. This versatility should prove useful in applications ranging from nanoscale metrology to sensitivity-enhanced NMR.

  16. Solid-state nitrogen-14 nuclear magnetic resonance enhanced by dynamic nuclear polarization using a gyrotron.

    PubMed

    Vitzthum, Veronika; Caporini, Marc A; Bodenhausen, Geoffrey

    2010-07-01

    By combining indirect detection of 14N with dynamic nuclear polarization (DNP) using a gyrotron, the signal-to-noise ratio can be dramatically improved and the recovery delay between subsequent experiments can be shortened. Spectra of glassy samples of the amino acid proline doped with the stable bi-radical TOTAPOL rotating at 15.625 kHz at 110K were obtained in a 400 MHz solid-state NMR spectrometer equipped with a gyrotron for microwave irradiation at 263 GHz. DNP enhancement factors on the order of epsilon approximately 40 were achieved. The recovery delays can be reduced from 60 s without radicals at 300 K to 6 s with radicals at 110 K. In the absence of radicals at room temperature, the proton relaxation in proline is inefficient due to the absence of rotating methyl groups and other heat sinks, thus making long recovery delays mandatory. DNP allows one to reduce the acquisition times of 13C-detected 14N spectra from several days to a few hours. PMID:20488737

  17. Thermalization and many-body localization in systems under dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    De Luca, Andrea; Rodríguez-Arias, Inés; Müller, Markus; Rosso, Alberto

    2016-07-01

    We study the role of dipolar interactions in the standard protocol used to achieve dynamic nuclear polarization (DNP). We point out that a critical strength of interactions is required to obtain significant nuclear hyperpolarization. Otherwise, the electron spins do not thermalize among each other, due to the incipient many-body localization transition in the electron spin system. Only when the interactions are sufficiently strong, in the so-called spin-temperature regime, they establish an effective thermodynamic behavior in the out-of-equilibrium stationary state. The highest polarization is reached at a point where the spin temperature is just not able to establish itself anymore. We provide numerical predictions for the level of nuclear hyperpolarization and present an analytical technique to estimate the spin temperature as a function of interaction strength and quenched disorder. We show that, at sufficiently strong coupling, nuclear spins perfectly equilibrate to the spin temperature that establishes among the spins of radicals.

  18. Nuclear magnetic resonance of laser-polarized noble gases in molecules, materials and organisms

    SciTech Connect

    Goodson, Boyd M.

    1999-12-01

    Conventional nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) are fundamentally challenged by the insensitivity that stems from the ordinarily low spin polarization achievable in even the strongest NMR magnets. However, by transferring angular momentum from laser light to electronic and nuclear spins, optical pumping methods can increase the nuclear spin polarization of noble gases by several orders of magnitude, thereby greatly enhancing their NMR sensitivity. This dissertation is primarily concerned with the principles and practice of optically pumped nuclear magnetic resonance (OPNMR). The enormous sensitivity enhancement afforded by optical pumping noble gases can be exploited to permit a variety of novel NMR experiments across many disciplines. Many such experiments are reviewed, including the void-space imaging of organisms and materials, NMR and MRI of living tissues, probing structure and dynamics of molecules in solution and on surfaces, and zero-field NMR and MRI.

  19. Spin polarized asymmetric nuclear matter and neutron star matter within the lowest order constrained variational method

    SciTech Connect

    Bordbar, G. H.; Bigdeli, M.

    2008-01-15

    In this paper, we calculate properties of the spin polarized asymmetrical nuclear matter and neutron star matter, using the lowest order constrained variational (LOCV) method with the AV{sub 18}, Reid93, UV{sub 14}, and AV{sub 14} potentials. According to our results, the spontaneous phase transition to a ferromagnetic state in the asymmetrical nuclear matter as well as neutron star matter do not occur.

  20. Dynamic nuclear polarization solid-state NMR in heterogeneous catalysis research

    DOE PAGESBeta

    Kobayashi, Takeshi; Perras, Frédéric A.; Slowing, Igor I.; Sadow, Aaron D.; Pruski, Marek

    2015-10-20

    In this study, a revolution in solid-state nuclear magnetic resonance (SSNMR) spectroscopy is taking place, attributable to the rapid development of high-field dynamic nuclear polarization (DNP), a technique yielding sensitivity improvements of 2–3 orders of magnitude. This higher sensitivity in SSNMR has already impacted materials research, and the implications of new methods on catalytic sciences are expected to be profound.

  1. Dynamic nuclear polarization solid-state NMR in heterogeneous catalysis research

    SciTech Connect

    Kobayashi, Takeshi; Perras, Frédéric A.; Slowing, Igor I.; Sadow, Aaron D.; Pruski, Marek

    2015-10-20

    In this study, a revolution in solid-state nuclear magnetic resonance (SSNMR) spectroscopy is taking place, attributable to the rapid development of high-field dynamic nuclear polarization (DNP), a technique yielding sensitivity improvements of 2–3 orders of magnitude. This higher sensitivity in SSNMR has already impacted materials research, and the implications of new methods on catalytic sciences are expected to be profound.

  2. Implementation of polarization processes in a charge transport model applied on poly(ethylene naphthalate) films

    NASA Astrophysics Data System (ADS)

    Hoang, M.-Q.; Le Roy, S.; Boudou, L.; Teyssedre, G.

    2016-06-01

    One of the difficulties in unravelling transport processes in electrically insulating materials is the fact that the response, notably charging current transients, can have mixed contributions from orientation polarization and from space charge processes. This work aims at identifying and characterizing the polarization processes in a polar polymer in the time and frequency-domains and to implement the contribution of the polarization into a charge transport model. To do so, Alternate Polarization Current (APC) and Dielectric Spectroscopy measurements have been performed on poly(ethylene naphthalene 2,6-dicarboxylate) (PEN), an aromatic polar polymer, providing information on polarization mechanisms in the time- and frequency-domain, respectively. In the frequency-domain, PEN exhibits 3 relaxation processes termed β, β* (sub-glass transitions), and α relaxations (glass transition) in increasing order of temperature. Conduction was also detected at high temperatures. Dielectric responses were treated using a simplified version of the Havriliak-Negami model (Cole-Cole (CC) model), using 3 parameters per relaxation process, these parameters being temperature dependent. The time dependent polarization obtained from the CC model is then added to a charge transport model. Simulated currents issued from the transport model implemented with the polarization are compared with the measured APCs, showing a good consistency between experiments and simulations in a situation where the response comes essentially from dipolar processes.

  3. Dynamic nuclear polarization of carbonyl and methyl 13C spins in acetate using trityl OX063

    NASA Astrophysics Data System (ADS)

    Niedbalski, Peter; Parish, Christopher; Lumata, Lloyd

    2015-03-01

    Hyperpolarization via dissolution dynamic nuclear polarization (DNP) is a physics technique that amplifies the magnetic resonance signals by several thousand-fold for biomedical NMR spectroscopy and imaging (MRI). Herein we have investigated the effect of carbon-13 isotopic location on the DNP of acetate (one of the biomolecules commonly used for hyperpolarization) at 3.35 T and 1.4 K using a narrow ESR linewidth free radical trityl OX063. We have found that the carbonyl 13C spins yielded about twice the polarization produced in methyl 13C spins. Deuteration of the methyl group, beneficial in the liquid-state, did not produce an improvement in the polarization level at cryogenic conditions. Concurrently, the solid-state nuclear relaxation of these samples correlate with the polarization levels achieved. These results suggest that the location of the 13C isotopic labeling in acetate has a direct impact on the solid-state polarization achieved and is mainly governed by the nuclear relaxation leakage factor.

  4. Spin-labeled gel for the production of radical-free dynamic nuclear polarization enhanced molecules for NMR spectroscopy and imaging

    NASA Astrophysics Data System (ADS)

    McCarney, Evan R.; Han, Songi

    2008-02-01

    Dynamic nuclear polarization (DNP) has recently received much attention as a viable approach to enhance the sensitivity of nuclear magnetic resonance (NMR) spectroscopy and the contrast of magnetic resonance imaging (MRI), where the significantly higher electron spin polarization of stable radicals is transferred to nuclear spins. In order to apply DNP-enhanced NMR and MRI signal to biological and in vivo systems, it is crucial to obtain highly polarized solution samples at ambient temperatures. As stable radicals are employed as the source for the DNP polarization transfer, it is also crucial that the highly polarized sample lacks residual radical concentration because the polarized molecules will be introduced to a biological system that will be sensitive to the presence of radicals. We developed an agarose-based porous media that is covalently spin-labeled with stable radicals. The loading of solvent accessible radical is sufficiently high and their mobility approximates that in solution, which ensures high efficiency for Overhauser mechanism induced DNP without physically releasing any measurable radical into the solution. Under ambient conditions at 0.35 T magnetic field, we measure the DNP enhancement efficiency of 1H signal of stagnant and continuously flowing water utilizing immobilized stable nitroxide radicals that contain two or three ESR hyperfine splitting lines and compare them to the performance of freely dissolved radicals.

  5. Topical Developments in High-Field Dynamic Nuclear Polarization

    PubMed Central

    Kiesewetter, Matthew K.; Frantz, Derik K.; Walish, Joseph J.; Ravera, Enrico; Luchinat, Claudio; Swager, Timothy M.; Griffin, Robert G.

    2015-01-01

    We report our recent efforts directed at improving high-field DNP experiments. We investigated a series of thiourea nitroxide radicals and the associated DNP enhancements ranging from ε = 25 to 82 that demonstrate the impact of molecular structure on performance. We directly polarized low-gamma nuclei including 13C, 2H, and 17O using trityl via the cross effect. We discuss a variety of sample preparation techniques for DNP with emphasis on the benefit of methods that do not use a glass-forming cryoprotecting matrix. Lastly, we describe a corrugated waveguide for use in a 700 MHz / 460 GHz DNP system that improves microwave delivery and increases enhancements up to 50%. PMID:25977588

  6. Equation of state of hot polarized nuclear matter and heavy-ion fusion reactions

    SciTech Connect

    Ghodsi, O. N.; Gharaei, R.

    2011-08-15

    We employ the equation of state of hot polarized nuclear matter to simulate the repulsive force caused by the incompressibility effects of nuclear matter in the fusion reactions of heavy colliding ions. The results of our studies reveal that temperature effects of compound nuclei have significant importance in simulating the repulsive force on the fusion reactions for which the temperature of the compound nucleus increases up to about 2 MeV. Since the equation of state of hot nuclear matter depends upon the density and temperature of the nuclear matter, it has been suggested that, by using this equation of state, one can simulate simultaneously both the effects of the precompound nucleons' emission and the incompressibility of nuclear matter to calculate the nuclear potential in fusion reactions within a static formalism such as the double-folding (DF) model.

  7. Finite-temperature calculations for spin-polarized asymmetric nuclear matter with the lowest order constrained variational method

    SciTech Connect

    Bigdeli, M.; Bordbar, G. H.; Poostforush, A.

    2010-09-15

    The lowest order constrained variational technique has been used to investigate some of the thermodynamic properties of spin-polarized hot asymmetric nuclear matter, such as the free energy, symmetry energy, susceptibility, and equation of state. We have shown that the symmetry energy of the nuclear matter is substantially sensitive to the value of spin polarization. Our calculations show that the equation of state of the polarized hot asymmetric nuclear matter is stiffer for higher values of the polarization as well as the isospin asymmetry parameter. Our results for the free energy and susceptibility show that spontaneous ferromagnetic phase transition cannot occur for hot asymmetric matter.

  8. Dynamic nuclear polarization experiments at 14.1 T for solid-state NMR.

    PubMed

    Matsuki, Yoh; Takahashi, Hiroki; Ueda, Keisuke; Idehara, Toshitaka; Ogawa, Isamu; Toda, Mitsuru; Akutsu, Hideo; Fujiwara, Toshimichi

    2010-06-14

    Instrumentation for high-field dynamic nuclear polarization (DNP) at 14.1 T was developed to enhance the nuclear polarization for NMR of solids. The gyrotron generated 394.5 GHz submillimeter (sub-mm) wave with a power of 40 W in the second harmonic TE(0,6) mode. The sub-mm wave with a power of 0.5-3 W was transmitted to the sample in a low-temperature DNP-NMR probe with a smooth-wall circular waveguide system. The (1)H polarization enhancement factor of up to about 10 was observed for a (13)C-labeled compound with nitroxyl biradical TOTAPOL. The DNP enhancement was confirmed by the static magnetic field dependence of the NMR signal amplitude at 90 K. Improvements of the high-field DNP experiments are discussed. PMID:20518128

  9. Formulation and utilization of choline based samples for dissolution dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Bowen, Sean; Ardenkjaer-Larsen, Jan Henrik

    2013-11-01

    Hyperpolarization by the dissolution dynamic nuclear polarization (DNP) technique permits the generation of high spin polarization of solution state. However, sample formulation for dissolution-DNP is often difficult, as concentration and viscosity must be optimized to yield a dissolved sample with sufficient concentration, while maintaining polarization during the dissolution process. The unique chemical properties of choline permit the generation of highly soluble salts as well as deep eutectic mixtures with carboxylic acids and urea. We describe the formulation of these samples and compare their performance to more traditional sample formulations. Choline yields stable samples with exceptional polarization performance while simultaneously offering the capability to easily remove the choline after dissolution, perform experiments with the hyperpolarized choline, or anything in between.

  10. Electron spin resonance and its implication on the maximum nuclear polarization of deuterated solid target materials

    SciTech Connect

    Heckmann, J.; Meyer, W.; Radtke, E.; Reicherz, G.; Goertz, S.

    2006-10-01

    ESR spectroscopy is an important tool in polarized solid target material research, since it allows us to study the paramagnetic centers, which are used for the dynamic nuclear polarization (DNP). The polarization behavior of the different target materials is strongly affected by the properties of these centers, which are added to the diamagnetic materials by chemical doping or irradiation. In particular, the ESR linewidth of the paramagnetic centers is a very important parameter, especially concerning the deuterated target materials. In this paper, the results of the first precise ESR measurements of the deuterated target materials at a DNP-relevant magnetic field of 2.5 T are presented. Moreover, these results allowed us to experimentally study the correlation between ESR linewidth and maximum deuteron polarization, as given by the spin-temperature theory.

  11. Reflectance spectroscopy with polarized light: is it sensitive to cellular and nuclear morphology

    NASA Astrophysics Data System (ADS)

    Sokolov, Konstantin; Drezek, Rebekah A.; Gossage, Kirk; Richards-Kortum, Rebecca R.

    1999-12-01

    We present a method for selective detection of size-dependent scattering characteristics of epithelial cells in vivo based on polarized illumination and polarization sensitive detection of scattered light. We illustrate the method using phantoms designed to simulate squamous epithelial tissue and progressing to epithelial tissue in vitro and in vivo. Elastic light scattering spectroscopy with polarized illumination/detection dramatically reduces background signals due to both diffuse stromal scattering and hemoglobin absorption. Resulting spectra can be described as a linear combination of forward and backscattering components determined from Mie theory. Nuclear sizes and refractive indices extracted by fitting experimental spectra to this model agree well with previous measurements. Reflectance spectroscopy with polarized light can provide quantitative morphological information which could potentially be used for non-invasive detection of neoplastic changes.

  12. Rigid Orthogonal bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization

    PubMed Central

    Dane, Eric L.; Corzilius, Björn; Rizzato, Egon; Stocker, Pierre; Maly, Thorsten; Smith, Albert A.; Griffin, Robert G.; Ouari, Olivier; Tordo, Paul; Swager, Timothy M.

    2012-01-01

    The synthesis and characterization of oxidized bis-thioketal-trispiro dinitroxide biradicals that orient the nitroxides in a rigid, approximately orthogonal geometry is reported. The biradicals show better performance as polarizing agents in dynamic nuclear polarization (DNP) NMR experiments as compared to biradicals lacking the constrained geometry. In addition, the biradicals display improved solubility in aqueous media due to the presence of polar sulfoxides. The results suggest that the orientation of the radicals is not dramatically affected by the oxidation state of the sulfur atoms in the biradical, and we conclude that a biradical polarizing agent containing a mixture of oxidation states can be used for improved solubility without a loss in performance. PMID:22304384

  13. Application of Dipole-dipole, Induced Polarization, and CSAMT Electrical Methods to Detect Evidence of an Underground Nuclear Explosion

    NASA Astrophysics Data System (ADS)

    Sweeney, J. J.; Felske, D.

    2013-12-01

    There is little experience with application of electrical methods that can be applied during the continuation period of an on-site inspection (OSI), one of the verification methods of the Comprehensive Nuclear-Test-Ban Treaty (CTBT). In order add to such experience, we conducted controlled source audiomagnetotelluric (CSAMT), dipole-dipole resistivity, and induced polarization electrical measurements along three survey lines over and near to ground zero of an historic nuclear explosion. The presentation will provide details and results of the surveys, an assessment of application of the method toward the purposes of an OSI, and an assessment of the manpower and time requirements for data collection and processing that will impact OSI inspection team operations. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  14. The nuclear frontier; Cornell's program of basic and applied research

    SciTech Connect

    Clark, D.D. . Dept. of Nuclear Science and Engineering)

    1992-01-01

    This paper discusses the Program in Nuclear Science and Engineering at Cornell, an interdisciplinary field that encompasses a wide range of research. Some faculty members and graduate students are working on the basic physics of nuclei, plasmas, and atoms, while other are investigating the interaction of radiation with matter and the basic mechanisms of radiation-induced failure in microelectronic devices. Some are developing new research techniques based on nuclear and atomic interactions, and others are adapting nuclear methods such as activation analysis to research in geology, biology, and archaeology. Some are investigating advanced types of ion and electron beams, while yet others are improving the generation of power from fission and seeking to generate it from fusion.

  15. Stabilizing nuclear spins around semiconductor electrons via the interplay of optical coherent population trapping and dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Onur, A. R.; de Jong, J. P.; O'Shea, D.; Reuter, D.; Wieck, A. D.; van der Wal, C. H.

    2016-04-01

    We experimentally demonstrate how coherent population trapping (CPT) for donor-bound electron spins in GaAs results in autonomous feedback that prepares stabilized states for the spin polarization of nuclei around the electrons. CPT was realized by excitation with two lasers to a bound-exciton state. Transmission studies of the spectral CPT feature on an ensemble of electrons directly reveal the statistical distribution of prepared nuclear-spin states. Tuning the laser driving from blue to red detuned drives a transition from one to two stable states. Our results have importance for ongoing research on schemes for dynamic nuclear-spin polarization, the central spin problem, and control of spin coherence.

  16. Solid-state dynamic nuclear polarization at 263 GHz: spectrometer design and experimental results†

    PubMed Central

    Rosay, Melanie; Tometich, Leo; Pawsey, Shane; Bader, Reto; Schauwecker, Robert; Blank, Monica; Borchard, Philipp M.; Cauffman, Stephen R.; Felch, Kevin L.; Weber, Ralph T.; Temkin, Richard J.; Griffin, Robert G.; Maas, Werner E.

    2015-01-01

    Dynamic Nuclear Polarization (DNP) experiments transfer polarization from electron spins to nuclear spins with microwave irradiation of the electron spins for enhanced sensitivity in nuclear magnetic resonance (NMR) spectroscopy. Design and testing of a spectrometer for magic angle spinning (MAS) DNP experiments at 263 GHz microwave frequency, 400 MHz 1H frequency is described. Microwaves are generated by a novel continuous-wave gyrotron, transmitted to the NMR probe via a transmission line, and irradiated on a 3.2 mm rotor for MAS DNP experiments. DNP signal enhancements of up to 80 have been measured at 95 K on urea and proline in water–glycerol with the biradical polarizing agent TOTAPOL. We characterize the experimental parameters affecting the DNP efficiency: the magnetic field dependence, temperature dependence and polarization build-up times, microwave power dependence, sample heating effects, and spinning frequency dependence of the DNP signal enhancement. Stable system operation, including DNP performance, is also demonstrated over a 36 h period. PMID:20449524

  17. Dynamic Nuclear Polarization in Samarium Doped Lanthanum Magnesium Nitrate. Ph.D. Thesis - Va. Polytechnic Inst.

    NASA Technical Reports Server (NTRS)

    Byvik, C. E.

    1971-01-01

    The dynamic nuclear polarization of hydrogen nuclei by the solid effect in single crystals of samarium doped lanthanum magnesium nitrate (Sm:LMN) was studied theoretically and experimentally. The equations of evolution governing the dynamic nuclear polarization by the solid effect were derived in detail using the spin temperature theory and the complete expression for the steady state enhancement of the nuclear polarization was calculated. Experimental enhancements of the proton polarization were obtained for eight crystals at 9.2 GHz and liquid helium temperatures. The samarium concentration ranged from 0.1 percent to 1.1 percent as determined by X-ray fluorescence. A peak enhancement of 181 was measured for a 1.1 percent Sm:LMN crystal at 3.0 K. The maximum enhancements extrapolated with the theory using the experimental data for peak enhancement versus microwave power and correcting for leakage, agree with the ideal enhancement (240 in this experiment) within experimental error for three of the crystals.

  18. Solid-state dynamic nuclear polarization at 263 GHz: spectrometer design and experimental results.

    PubMed

    Rosay, Melanie; Tometich, Leo; Pawsey, Shane; Bader, Reto; Schauwecker, Robert; Blank, Monica; Borchard, Philipp M; Cauffman, Stephen R; Felch, Kevin L; Weber, Ralph T; Temkin, Richard J; Griffin, Robert G; Maas, Werner E

    2010-06-14

    Dynamic Nuclear Polarization (DNP) experiments transfer polarization from electron spins to nuclear spins with microwave irradiation of the electron spins for enhanced sensitivity in nuclear magnetic resonance (NMR) spectroscopy. Design and testing of a spectrometer for magic angle spinning (MAS) DNP experiments at 263 GHz microwave frequency, 400 MHz (1)H frequency is described. Microwaves are generated by a novel continuous-wave gyrotron, transmitted to the NMR probe via a transmission line, and irradiated on a 3.2 mm rotor for MAS DNP experiments. DNP signal enhancements of up to 80 have been measured at 95 K on urea and proline in water-glycerol with the biradical polarizing agent TOTAPOL. We characterize the experimental parameters affecting the DNP efficiency: the magnetic field dependence, temperature dependence and polarization build-up times, microwave power dependence, sample heating effects, and spinning frequency dependence of the DNP signal enhancement. Stable system operation, including DNP performance, is also demonstrated over a 36 h period. PMID:20449524

  19. Nuclear Spin Polarization of Phosphorus Donors in Silicon. Direct Evidence from 31P-Nuclear Magnetic Resonance

    NASA Astrophysics Data System (ADS)

    Gumann, Patryk; Ramanathan, Chandrasekhar; Patange, Om; Moussa, Osama; Thewalt, Mike; Riemann, Helge; Abrosimov, Nikolay; Becker, Peter; Pohl, Hans-Joachim; Itoh, Kohei; Cory, David G.

    2014-03-01

    We experimentally demonstrate the optical hyperpolarization and coherent control of 31P, nuclear spins in single crystal silicon via the inductive readout of the nuclear magnetic resonance (NMR) signal of 31P at a concentration of 1.5 x 1015 cc-1. The obtained polarization is sufficient the 31P spin polarization of 1.17 x 1015 in a 10 mm x 10 mm sample, observed in one FID with signal-to-noise ration of 113. The linewidth is 800 Hz. The Hahn echo pulse sequence reveals a 31P T2 time of 0.42 s at 1.6 K, which was extended by the Carr Purcell cycle to 1.2 s at the same temperature. The maximum build-up of the nuclear polarization was achieved within ~577 seconds, at 4.2 K, in 6.7 T, using optical excitations provided by an infra-red laser. This work has been supported by CERC Canada.

  20. Dynamic nuclear polarization of membrane proteins: covalently bound spin-labels at protein-protein interfaces.

    PubMed

    Wylie, Benjamin J; Dzikovski, Boris G; Pawsey, Shane; Caporini, Marc; Rosay, Melanie; Freed, Jack H; McDermott, Ann E

    2015-04-01

    We demonstrate that dynamic nuclear polarization of membrane proteins in lipid bilayers may be achieved using a novel polarizing agent: pairs of spin labels covalently bound to a protein of interest interacting at an intermolecular interaction surface. For gramicidin A, nitroxide tags attached to the N-terminal intermolecular interface region become proximal only when bimolecular channels forms in the membrane. We obtained signal enhancements of sixfold for the dimeric protein. The enhancement effect was comparable to that of a doubly tagged sample of gramicidin C, with intramolecular spin pairs. This approach could be a powerful and selective means for signal enhancement in membrane proteins, and for recognizing intermolecular interfaces. PMID:25828256

  1. Dynamic nuclear polarization with a cyclotron resonance maser at 5 T

    NASA Astrophysics Data System (ADS)

    Becerra, Lino R.; Gerfen, Gary J.; Temkin, Richard J.; Singel, David J.; Griffin, Robert G.

    1993-11-01

    DNP (dynamic nuclear polarization) experiments at 5 T are reported, in which a cycoltron resonance maser (gyrotron) is utilized as a 20 W, 140 GHz microwave source to perform the polarization. MAS (magic angle spinning) NMR spectroscopy with DNP has been performed on samples of polystyrene doped with the free radical BDPA (α,γ-bisdiphenylene-β-phenylallyl) at room temperature. Maximal DNP enhancements of ~10 for 1H and ~40 for 13C are observed and are considerably larger than expected. The DNP and spin relaxation mechanisms that lead to these enhancements at 5 T are discussed.

  2. Tailoring of Polarizing Agents in the bTurea Series for Cross-Effect Dynamic Nuclear Polarization in Aqueous Media.

    PubMed

    Sauvée, Claire; Casano, Gilles; Abel, Sébastien; Rockenbauer, Antal; Akhmetzyanov, Dimitry; Karoui, Hakim; Siri, Didier; Aussenac, Fabien; Maas, Werner; Weber, Ralph T; Prisner, Thomas; Rosay, Mélanie; Tordo, Paul; Ouari, Olivier

    2016-04-11

    A series of 18 nitroxide biradicals derived from bTurea has been prepared, and their enhancement factors ɛ ((1)H) in cross-effect dynamic nuclear polarization (CE DNP) NMR experiments at 9.4 and 14.1 T and 100 K in a DNP-optimized glycerol/water matrix ("DNP juice") have been studied. We observe that ɛ ((1)H) is strongly correlated with the substituents on the polarizing agents, and its trend is discussed in terms of different molecular parameters: solubility, average e-e distance, relative orientation of the nitroxide moieties, and electron spin relaxation times. We show that too short an e-e distance or too long a T1e can dramatically limit ɛ ((1)H). Our study also shows that the molecular structure of AMUPol is not optimal and its ɛ ((1)H) could be further improved through stronger interaction with the glassy matrix and a better orientation of the TEMPO moieties. A new AMUPol derivative introduced here provides a better ɛ ((1)H) than AMUPol itself (by a factor of ca. 1.2). PMID:26992052

  3. Dynamic nuclear polarization of {sup 29}Si nuclei in isotopically controlled phosphorus doped silicon

    SciTech Connect

    Hayashi, Hiroshi; Itahashi, Tatsumasa; Itoh, Kohei M.; Vlasenko, Leonid S.; Vlasenko, Marina P.

    2009-07-15

    Dynamic nuclear polarization (DNP) of {sup 29}Si nuclei in isotopically controlled silicon single crystals with the {sup 29}Si isotope abundance f{sub 29Si} varied from 1.2% to 99.2% is reported. It was found that both the DNP enhancement and {sup 29}Si nuclear spin-lattice relaxation time under saturation of the electron paramagnetic resonance transitions of phosphorus donors increase with the decrease in the {sup 29}Si abundance. A remarkably large steady-state DNP enhancement, E{sup ss}=2680 which is comparable to the theoretical upper limit of 3310, has been achieved through the ''resolved'' solid effect that has been identified clearly in the f{sub 29Si}=1.2% sample. The DNP enhancement depends not only on the {sup 29}Si abundance but also on the electron spin-lattice relaxation time that can be controlled by temperature and/or illumination. The linewidth of {sup 29}Si NMR spectra after DNP shows a linear dependence on f{sub 29Si} for f{sub 29Si}{<=}10% and changes to a square-root dependence for f{sub 29Si}{>=}50%. Comparison of experimentally determined nuclear polarization time with nuclear spin diffusion coefficients indicates that the rate of DNP is limited by the polarization transfer rather than by spin diffusion.

  4. Measuring surface-area-to-volume ratios in soft porous materials using laser-polarized xenon interphase exchange nuclear magnetic resonance

    NASA Technical Reports Server (NTRS)

    Butler, J. P.; Mair, R. W.; Hoffmann, D.; Hrovat, M. I.; Rogers, R. A.; Topulos, G. P.; Walsworth, R. L.; Patz, S.

    2002-01-01

    We demonstrate a minimally invasive nuclear magnetic resonance (NMR) technique that enables determination of the surface-area-to-volume ratio (S/V) of soft porous materials from measurements of the diffusive exchange of laser-polarized 129Xe between gas in the pore space and 129Xe dissolved in the solid phase. We apply this NMR technique to porous polymer samples and find approximate agreement with destructive stereological measurements of S/V obtained with optical confocal microscopy. Potential applications of laser-polarized xenon interphase exchange NMR include measurements of in vivo lung function in humans and characterization of gas chromatography columns.

  5. Quantitative cw Overhauser Dynamic Nuclear Polarization for the Analysis of Local Water Dynamics

    PubMed Central

    Franck, John M.; Pavlova, Anna; Scott, John A.; Han, Songi

    2013-01-01

    Liquid state Overhauser Effect Dynamic Nuclear Polarization (ODNP) has experienced a recent resurgence of interest. The ODNP technique described here relies on the double resonance of electron spin resonance (ESR) at the most common, i.e. X-band (~ 10 GHz), frequency and 1H nuclear magnetic resonance (NMR) at ~ 15 MHz. It requires only a standard continuous wave (cw) ESR spectrometer with an NMR probe inserted or built into an X-band cavity. Our focus lies on reviewing a new and powerful manifestation of ODNP as a high frequency NMR relaxometry tool that probes dipolar cross relaxation between the electron spins and the 1H nuclear spins at X-band frequencies. This technique selectively measures the translational mobility of water within a volume extending 0.5–1.5 nm outward from a nitroxide radical spin probe that is attached to a targeted site of a macromolecule. This method has been applied to study the dynamics of water that hydrates or permeates the surface or interior of proteins, polymers, and lipid membrane vesicles. We begin by reviewing the recent advances that have helped develop ODNP into a tool for mapping the dynamic landscape of hydration water with sub-nanometer locality. In order to bind this work coherently together, and to place it in the context of the extensive body of research in the field of NMR relaxometry, we then rephrase the analytical model and extend the description of the ODNP-derived NMR signal enhancements. This extended model highlights several aspects of ODNP data analysis, including the importance of considering all possible effects of microwave sample heating, the need to consider the error associated with various relaxation rates, and the unique ability of ODNP to probe the electron–1H cross-relaxation process, which is uniquely sensitive to fast (tens of ps) dynamical processes. By implementing the relevant corrections in a stepwise fashion, this paper draws a consensus result from previous ODNP procedures, and then shows

  6. Polarization-maintaining, double-clad fiber amplifier employing externally applied stress-induced birefringence

    SciTech Connect

    Koplow, Jeffrey P.; Goldberg, Lew; Moeller, Robert P.; Kliner, Dahv A. V.

    2000-03-15

    We report a new approach to obtaining linear-polarization operation of a rare-earth-doped fiber amplifier in which the gain fiber is coiled under tension to induce birefringence. We demonstrated this method by constructing an Er/Yb-doped, double-clad, single-mode fiber amplifier with an output power of 530 mW and a polarization extinction ratio of >17 dB (when seeded with linearly polarized light) at a wavelength of {approx}1.5 {mu}m . The technique is achromatic, permits single- or multiple-pass operation of the amplifier, requires no additional components in the optical path, leaves the fiber ends unobstructed, and is inexpensive to implement. (c) 2000 Optical Society of America.

  7. Nuclear safety as applied to space power reactor systems

    SciTech Connect

    Cummings, G.E.

    1987-01-01

    Current space nuclear power reactor safety issues are discussed with respect to the unique characteristics of these reactors. An approach to achieving adequate safety and a perception of safety is outlined. This approach calls for a carefully conceived safety program which makes uses of lessons learned from previous terrestrial power reactor development programs. This approach includes use of risk analyses, passive safety design features, and analyses/experiments to understand and control off-design conditions. The point is made that some recent accidents concerning terrestrial power reactors do not imply that space power reactors cannot be operated safety.

  8. Dynamic nuclear polarization by frequency modulation of a tunable gyrotron of 260 GHz

    NASA Astrophysics Data System (ADS)

    Yoon, Dongyoung; Soundararajan, Murari; Cuanillon, Philippe; Braunmueller, Falk; Alberti, Stefano; Ansermet, Jean-Philippe

    2016-01-01

    An increase in Dynamic Nuclear Polarization (DNP) signal intensity is obtained with a tunable gyrotron producing frequency modulation around 260 GHz at power levels less than 1 W. The sweep rate of frequency modulation can reach 14 kHz, and its amplitude is fixed at 50 MHz. In water/glycerol glassy ice doped with 40 mM TEMPOL, the relative increase in the DNP enhancement was obtained as a function of frequency-sweep rate for several temperatures. A 68 % increase was obtained at 15 K, thus giving a DNP enhancement of about 80. By employing λ / 4 and λ / 8 polarizer mirrors, we transformed the polarization of the microwave beam from linear to circular, and achieved an increase in the enhancement by a factor of about 66% for a given power.

  9. Dynamic nuclear polarization by frequency modulation of a tunable gyrotron of 260GHz.

    PubMed

    Yoon, Dongyoung; Soundararajan, Murari; Cuanillon, Philippe; Braunmueller, Falk; Alberti, Stefano; Ansermet, Jean-Philippe

    2016-01-01

    An increase in Dynamic Nuclear Polarization (DNP) signal intensity is obtained with a tunable gyrotron producing frequency modulation around 260GHz at power levels less than 1W. The sweep rate of frequency modulation can reach 14kHz, and its amplitude is fixed at 50MHz. In water/glycerol glassy ice doped with 40mM TEMPOL, the relative increase in the DNP enhancement was obtained as a function of frequency-sweep rate for several temperatures. A 68 % increase was obtained at 15K, thus giving a DNP enhancement of about 80. By employing λ/4 and λ/8 polarizer mirrors, we transformed the polarization of the microwave beam from linear to circular, and achieved an increase in the enhancement by a factor of about 66% for a given power. PMID:26759116

  10. Nuclear physics detector technology applied to plant biology research

    SciTech Connect

    Weisenberger, Andrew G.; Kross, Brian J.; Lee, Seung Joo; McKisson, John E.; Xi, Wenze; Zorn, Carl J.; Howell, Calvin; Crowell, A.S.; Reid, C.D.; Smith, Mark

    2013-08-01

    The ability to detect the emissions of radioactive isotopes through radioactive decay (e.g. beta particles, x-rays and gamma-rays) has been used for over 80 years as a tracer method for studying natural phenomena. More recently a positron emitting radioisotope of carbon: {sup 11}C has been utilized as a {sup 11}CO{sub 2} tracer for plant ecophysiology research. Because of its ease of incorporation into the plant via photosynthesis, the {sup 11}CO{sub 2} radiotracer is a powerful tool for use in plant biology research. Positron emission tomography (PET) imaging has been used to study carbon transport in live plants using {sup 11}CO{sub 2}. Presently there are several groups developing and using new PET instrumentation for plant based studies. Thomas Jefferson National Accelerator Facility (Jefferson Lab) in collaboration with the Duke University Phytotron and the Triangle Universities Nuclear Laboratory (TUNL) is involved in PET detector development for plant imaging utilizing technologies developed for nuclear physics research. The latest developments of the use of a LYSO scintillator based PET detector system for {sup 11}CO{sub 2} tracer studies in plants will be briefly outlined.

  11. Theoretical aspects of dynamic nuclear polarization in the solid state - The cross effect

    NASA Astrophysics Data System (ADS)

    Hovav, Yonatan; Feintuch, Akiva; Vega, Shimon

    2012-01-01

    In recent years Dynamic Nuclear Polarization (DNP) signal enhancement techniques have become an important and integral part of modern NMR and MRI spectroscopy. The DNP mechanisms transferring polarization from unpaired electrons to the nuclei in the sample is accomplished by microwave (MW) irradiation. For solid samples a distinction is made between three main enhancement processes: Solid Effect (SE), Cross Effect (CE) and Thermal Mixing (TM) DNP. In a recent study we revisited the solid state SE-DNP mechanism at high magnetic fields, using a spin density operator description involving spin relaxation, for the case of an isolated electron spin interacting with neighboring nuclei. In this publication we extend this study by considering the hyper-polarization of nuclei in systems containing two interacting electrons. In these spin systems both processes SE-DNP and CE-DNP are simultaneously active. As previously, a quantum description taking into account spin relaxation is used to calculate the dynamics of spin systems consisting of interacting electron pairs coupled to (core) nuclei. Numerical simulations are used to demonstrate the dependence of the SE- and CE-DNP enhancements on the MW irradiation power and frequency, on electron, nuclear and cross relaxation mechanisms and on the spin interactions. The influence of the presence of many nuclei on the hyper-polarization of an individual core nucleus is examined, showing the similarities between the two DNP processes. These studies also indicate the advantages of the CE- over the SE-DNP processes, both driving the polarization of the bulk nuclei, via the nuclear dipole-dipole interactions.

  12. Cluster formation restricts dynamic nuclear polarization of xenon in solid mixtures

    NASA Astrophysics Data System (ADS)

    Kuzma, N. N.; Pourfathi, M.; Kara, H.; Manasseh, P.; Ghosh, R. K.; Ardenkjaer-Larsen, J. H.; Kadlecek, S. J.; Rizi, R. R.

    2012-09-01

    During dynamic nuclear polarization (DNP) at 1.5 K and 5 T, 129Xe nuclear magnetic resonance (NMR) spectra of a homogeneous xenon/1-propanol/trityl-radical solid mixture exhibit a single peak, broadened by 1H neighbors. A second peak appears upon annealing for several hours at 125 K. Its characteristic width and chemical shift indicate the presence of spontaneously formed pure Xe clusters. Microwave irradiation at the appropriate frequencies can bring both peaks to either positive or negative polarization. The peculiar time evolution of 129Xe polarization in pure Xe clusters during DNP can be modelled as an interplay of spin diffusion and T1 relaxation. Our simple spherical-cluster model offers a sensitive tool to evaluate major DNP parameters in situ, revealing a severe spin-diffusion bottleneck at the cluster boundaries and a significant sample overheating due to microwave irradiation. Subsequent DNP system modifications designed to reduce the overheating resulted in four-fold increase of 129Xe polarization, from 5.3% to 21%.

  13. Polarization propagator approach to the dynamic nuclear electric shielding in LiH molecule

    NASA Astrophysics Data System (ADS)

    Lazzeretti, P.; Rossi, E.; Zanasi, R.

    1983-07-01

    The frequency dependence of the dipole electric polarizability and electric shielding tensors of hydrogen and lithium nuclei in the LiH molecule has been studied via some approximations to the polarization propagator method, i.e., STA, TDA, and RPA, allowing for dipole length, velocity, acceleration, and mixed formalisms. The RPA nuclear electric shieldings are in a fairly good agreement with the corresponding experimental data, a discrepancy being observed for the parallel component at the Li nucleus.

  14. Pair approximation for polarization interaction and adiabatic nuclear and electronic sampling method for fluids with dipole polarizability

    NASA Astrophysics Data System (ADS)

    Predota, Milan; Cummings, Peter T.; Chialvo, Ariel A.

    The adiabatic nuclear and electronic sampling method (ANES), originally formulated as an efficient Monte Carlo algorithm for systems with fluctuating charges, is applied to the simulation of a polarizable water model with induced dipole moments. Structural, thermodynamic and dipolar properties obtained by ANES and a newer algorithm, the pair approximation for polarization interaction (PAPI), are compared with full iteration. With the best parameters, the inaccuracy of both approximate methods was found to be comparable with the uncertainty of the full iteration. The PAPI method with iteration radius equal to the second minimum of the oxygen-oxygen correlation function is, depending on the convergence tolerance, 10-15 times faster than the full iteration for 256 molecules, and yields very accurate structure and thermodynamics with deviation about 0.3%. When the iteration radius is increased to the cutoff distance, exact results are recovered at the cost of decreased efficiency. The ANES method with small nuclear displacements proved to inefficiently sample the configurational space. Simulations at low electronic temperatures with large nuclear displacements are inaccurate for up to 100 electronic moves, and increasing this number would make the simulations as slow as the full iteration. The most accurate and efficient adiabatic ANES simulations are those with infinite electronic temperature, large nuclear displacements and 1-10 electronic moves. The extra freedom of induced dipoles in the ANES method at high electronic temperatures modifies the observed dipolar properties; however, the question of whether the dielectric constant is also modified needs further consideration.

  15. Applying laser speckle images to skin science: skin lesion differentiation by polarization

    NASA Astrophysics Data System (ADS)

    Lee, Tim K.; Tchvialeva, Lioudmila; Dhadwal, Gurbir; Sotoodian, Bahman; Kalai, Sunil; Zeng, Haishan; Lui, Harvey; McLean, David I.

    2012-01-01

    Skin cancer is a worldwide health problem. It is the most common cancer in the countries with a large white population; furthermore, the incidence of malignant melanoma, the most dangerous form of skin cancer, has been increasing steadily over the last three decades. There is an urgent need to develop in-vivo, noninvasive diagnostic tools for the disease. This paper attempts to response to the challenge by introducing a simple and fast method based on polarization and laser speckle. The degree of maintaining polarization estimates the fraction of linearly maintaining polarization in the backscattered speckle field. Clinical experiments of 214 skin lesions including malignant melanomas, squamous cell carcinomas, basal cell carcinomas, nevi, and seborrheic keratoses demonstrated that such a parameter can potentially diagnose different skin lesion types. ROC analyses showed that malignant melanoma and seborrheic keratosis could be differentiated by both the blue and red lasers with the area under the curve (AUC) = 0.8 and 0.7, respectively. Also malignant melanoma and squamous cell carcinoma could be separated by the blue laser (AUC = 0.9), while nevus and seborrheic keratosis could be identified using the red laser (AUC = 0.7). These experiments demonstrated that polarization could be a potential in-vivo diagnostic indicator for skin diseases.

  16. Applying laser speckle images to skin science: skin lesion differentiation by polarization

    NASA Astrophysics Data System (ADS)

    Lee, Tim K.; Tchvialeva, Lioudmila; Dhadwal, Gurbir; Sotoodian, Bahman; Kalai, Sunil; Zeng, Haishan; Lui, Harvey; McLean, David I.

    2011-09-01

    Skin cancer is a worldwide health problem. It is the most common cancer in the countries with a large white population; furthermore, the incidence of malignant melanoma, the most dangerous form of skin cancer, has been increasing steadily over the last three decades. There is an urgent need to develop in-vivo, noninvasive diagnostic tools for the disease. This paper attempts to response to the challenge by introducing a simple and fast method based on polarization and laser speckle. The degree of maintaining polarization estimates the fraction of linearly maintaining polarization in the backscattered speckle field. Clinical experiments of 214 skin lesions including malignant melanomas, squamous cell carcinomas, basal cell carcinomas, nevi, and seborrheic keratoses demonstrated that such a parameter can potentially diagnose different skin lesion types. ROC analyses showed that malignant melanoma and seborrheic keratosis could be differentiated by both the blue and red lasers with the area under the curve (AUC) = 0.8 and 0.7, respectively. Also malignant melanoma and squamous cell carcinoma could be separated by the blue laser (AUC = 0.9), while nevus and seborrheic keratosis could be identified using the red laser (AUC = 0.7). These experiments demonstrated that polarization could be a potential in-vivo diagnostic indicator for skin diseases.

  17. Introducing Students to Plant Geography: Polar Ordination Applied to Hanging Gardens.

    ERIC Educational Resources Information Center

    Malanson, George P.; And Others

    1993-01-01

    Reports on a research study in which college students used a statistical ordination method to reveal relationships among plant community structures and physical, disturbance, and spatial variables. Concludes that polar ordination helps students understand the methodology of plant geography and encourages further student research. (CFR)

  18. Applying twisted boundary conditions for few-body nuclear systems

    NASA Astrophysics Data System (ADS)

    Körber, Christopher; Luu, Thomas

    2016-05-01

    We describe and implement twisted boundary conditions for the deuteron and triton systems within finite volumes using the nuclear lattice EFT formalism. We investigate the finite-volume dependence of these systems with different twist angles. We demonstrate how various finite-volume information can be used to improve calculations of binding energies in such a framework. Our results suggests that with appropriate twisting of boundaries, infinite-volume binding energies can be reliably extracted from calculations using modest volume sizes with cubic length L ≈8 -14 fm. Of particular importance is our derivation and numerical verification of three-body analogs of "i-periodic" twist angles that eliminate the leading-order finite-volume effects to the three-body binding energy.

  19. Photothermal microscopy applied to the characterization of nuclear fuel pellets

    NASA Astrophysics Data System (ADS)

    Zaldivar Escola, F.; Martínez, O. E.; Mingolo, N.; Kempf, R.

    2013-04-01

    The photothermal photodeflection technique is shown to provide information on the homogeneity of fuel pellets, pore distribution, clustering detection of pure urania and gadolinea and to provide a two-dimensional mapping of the thermal diffusivity correlated to the composition of the interdiffused Gadolinium and Uranium oxide. Histograms of the thermal diffusivity distribution become a reliable quantitative way of quantifying the degree of homogeneity and the width of the histogram can be used as a direct measure of the homogeneity. These quantitative measures of the homogeneity of the samples at microscopic levels provides a protocol that can be used as a reliable specification and quality control method for nuclear fuels, substituting with a single test a battery of expensive, time consuming and operator dependent techniques.

  20. Optimization of 13C dynamic nuclear polarization: isotopic labeling of free radicals

    NASA Astrophysics Data System (ADS)

    Niedbalski, Peter; Parish, Christopher; Kiswandi, Andhika; Lumata, Lloyd

    Dynamic nuclear polarization (DNP) is a physics technique that amplifies the nuclear magnetic resonance (NMR) signals by transferring the high polarization of the electrons to the nuclear spins. Thus, the choice of free radical is crucial in DNP as it can directly affect the NMR signal enhancement levels, typically on the order of several thousand-fold in the liquid-state. In this study, we have investigated the efficiency of four variants of the well-known 4-oxo-TEMPO radical (normal 4-oxo-TEMPO plus its 15N-enriched and/or perdeuterated variants) for use in DNP of an important metabolic tracer [1-13C]acetate. Though the variants have significant differences in electron paramagnetic resonance (EPR) spectra, we have found that changing the composition of the TEMPO radical through deuteration or 15N doping yields no significant difference in 13C DNP efficiency at 3.35 T and 1.2 K. On the other hand, deuteration of the solvent causes a significant increase of 13C polarization that is consistent over all the 4-oxo-TEMPO variants. These findings are consistent with the thermal mixing model of DNP. This work is supported by US Dept of Defense Award No. W81XWH-14-1-0048 and the Robert A. Welch Foundation Grant No. AT-1877.

  1. A multi-sample 94 GHz dissolution dynamic-nuclear-polarization system.

    PubMed

    Batel, Michael; Krajewski, Marcin; Weiss, Kilian; With, Oliver; Däpp, Alexander; Hunkeler, Andreas; Gimersky, Martin; Pruessmann, Klaas P; Boesiger, Peter; Meier, Beat H; Kozerke, Sebastian; Ernst, Matthias

    2012-01-01

    We describe the design and initial performance results of a multi-sample dissolution dynamic-nuclear-polarization (DNP) polarizer based on a Helium-temperature NMR cryostat for use in a wide-bore NMR magnet with a room-temperature bore. The system is designed to accommodate up to six samples in a revolver-style sample changer that allows changing samples at liquid-Helium temperature and at pressures ranging from ambient pressure down to 1 mbar. The multi-sample setup is motivated by the desire to do repetitive in vivo measurements and to characterize the DNP process by investigating samples of different chemical composition. The system can be loaded with up to six samples simultaneously to reduce sample loading and unloading. Therefore, series of experiments can be carried out faster and more reliably. The DNP probe contains an oversized microwave cavity and includes EPR and NMR capabilities for monitoring the DNP process. In the solid state, DNP enhancements corresponding to ∼45% polarization for [1-(13)C]pyruvic acid with a trityl radical have been measured. In the initial liquid-state acquisition experiments described here, the polarization was found to be ∼13%, corresponding to an enhancement factor exceeding 16,000 relative to thermal polarization at 9.4 T and ambient temperature. PMID:22142831

  2. Reverse micelles as a platform for dynamic nuclear polarization in solution NMR of proteins.

    PubMed

    Valentine, Kathleen G; Mathies, Guinevere; Bédard, Sabrina; Nucci, Nathaniel V; Dodevski, Igor; Stetz, Matthew A; Can, Thach V; Griffin, Robert G; Wand, A Joshua

    2014-02-19

    Despite tremendous advances in recent years, solution NMR remains fundamentally restricted due to its inherent insensitivity. Dynamic nuclear polarization (DNP) potentially offers significant improvements in this respect. The basic DNP strategy is to irradiate the EPR transitions of a stable radical and transfer this nonequilibrium polarization to the hydrogen spins of water, which will in turn transfer polarization to the hydrogens of the macromolecule. Unfortunately, these EPR transitions lie in the microwave range of the electromagnetic spectrum where bulk water absorbs strongly, often resulting in catastrophic heating. Furthermore, the residence times of water on the surface of the protein in bulk solution are generally too short for efficient transfer of polarization. Here we take advantage of the properties of solutions of encapsulated proteins dissolved in low viscosity solvents to implement DNP in liquids. Such samples are largely transparent to the microwave frequencies required and thereby avoid significant heating. Nitroxide radicals are introduced into the reverse micelle system in three ways: attached to the protein, embedded in the reverse micelle shell, and free in the aqueous core. Significant enhancements of the water resonance ranging up to ∼-93 at 0.35 T were observed. We also find that the hydration properties of encapsulated proteins allow for efficient polarization transfer from water to the protein. These and other observations suggest that merging reverse micelle encapsulation technology with DNP offers a route to a significant increase in the sensitivity of solution NMR spectroscopy of proteins and other biomolecules. PMID:24456213

  3. A multi-sample 94 GHz dissolution dynamic-nuclear-polarization system

    NASA Astrophysics Data System (ADS)

    Batel, Michael; Krajewski, Marcin; Weiss, Kilian; With, Oliver; Däpp, Alexander; Hunkeler, Andreas; Gimersky, Martin; Pruessmann, Klaas P.; Boesiger, Peter; Meier, Beat H.; Kozerke, Sebastian; Ernst, Matthias

    2012-01-01

    We describe the design and initial performance results of a multi-sample dissolution dynamic-nuclear-polarization (DNP) polarizer based on a Helium-temperature NMR cryostat for use in a wide-bore NMR magnet with a room-temperature bore. The system is designed to accommodate up to six samples in a revolver-style sample changer that allows changing samples at liquid-Helium temperature and at pressures ranging from ambient pressure down to 1 mbar. The multi-sample setup is motivated by the desire to do repetitive in vivo measurements and to characterize the DNP process by investigating samples of different chemical composition. The system can be loaded with up to six samples simultaneously to reduce sample loading and unloading. Therefore, series of experiments can be carried out faster and more reliably. The DNP probe contains an oversized microwave cavity and includes EPR and NMR capabilities for monitoring the DNP process. In the solid state, DNP enhancements corresponding to ˜45% polarization for [1- 13C]pyruvic acid with a trityl radical have been measured. In the initial liquid-state acquisition experiments described here, the polarization was found to be ˜13%, corresponding to an enhancement factor exceeding 16,000 relative to thermal polarization at 9.4 T and ambient temperature.

  4. Cellular Solid-State NMR Investigation of a Membrane Protein Using Dynamic Nuclear Polarization

    PubMed Central

    Yamamoto, Kazutoshi; Caporini, Marc A.; Im, Sang-Choul; Waskell, Lucy; Ramamoorthy, Ayyalusamy

    2014-01-01

    While an increasing number of structural biology studies successfully demonstrate the power of high-resolution structures and dynamics of membrane proteins in fully understanding their function, there is considerable interest in developing NMR approaches to obtain such information in a cellular setting. As long as the proteins inside the living cell tumble rapidly in the NMR timescale, recently developed in-cell solution NMR approaches can be applied towards the determination of 3D structural information. However, there are numerous challenges that need to be overcome to study membrane proteins inside a cell. Research in our laboratory is focused on developing a combination of solid-state NMR and biological approaches to overcome these challenges with a specific emphasis on obtaining high-resolution structural insights into electron transfer biological processes mediated by membrane-bound proteins like mammalian cytochrome b5, cytochrome P450 and cytochrome P450 reductase. In this study, we demonstrate the feasibility of using the signal-enhancement rendered by dynamic nuclear polarization (DNP) magic angle spinning (MAS) NMR spectroscopy for in-cell studies on a membrane-anchored protein. Our experimental results obtained from 13C-labeled membrane-anchored cytochrome b5 in native Escherichia coli cells show a ~16-fold DNP signal enhancement (ε). Further, results obtained from a 2D 13C/13C chemical shift correlation MAS experiment demonstrates that it is highly possible to suppress the background signals from other cellular contents for high-resolution structural studies on membrane proteins. We believe that this study would pave new avenues for high-resolution 3D structural studies on a variety of membrane-associated proteins and their complexes in the cellular context to fully understand their functional roles in physiological processes. PMID:25017802

  5. Applying activity-based costing to the nuclear medicine unit.

    PubMed

    Suthummanon, Sakesun; Omachonu, Vincent K; Akcin, Mehmet

    2005-08-01

    Previous studies have shown the feasibility of using activity-based costing (ABC) in hospital environments. However, many of these studies discuss the general applications of ABC in health-care organizations. This research explores the potential application of ABC to the nuclear medicine unit (NMU) at a teaching hospital. The finding indicates that the current cost averages 236.11 US dollars for all procedures, which is quite different from the costs computed by using ABC. The difference is most significant with positron emission tomography scan, 463 US dollars (an increase of 96%), as well as bone scan and thyroid scan, 114 US dollars (a decrease of 52%). The result of ABC analysis demonstrates that the operational time (machine time and direct labour time) and the cost of drugs have the most influence on cost per procedure. Clearly, to reduce the cost per procedure for the NMU, the reduction in operational time and cost of drugs should be analysed. The result also indicates that ABC can be used to improve resource allocation and management. It can be an important aid in making management decisions, particularly for improving pricing practices by making costing more accurate. It also facilitates the identification of underutilized resources and related costs, leading to cost reduction. The ABC system will also help hospitals control costs, improve the quality and efficiency of the care they provide, and manage their resources better. PMID:16102243

  6. Applying a microfacet model to polarized light scattering measurements of the Earth's surface

    NASA Astrophysics Data System (ADS)

    Kupinski, Meredith; Bradley, Christine; Diner, David; Xu, Feng; Chipman, Russell

    2015-09-01

    Representative examples from three-years of measurements from JPL's Ground-based Multiangle SpectroPolarimetric Imager (Ground-MSPI)[1] are compared to a model for the surface polarized bidirectional reflectance distribution matrix (BRDM). Ground-MSPI is an eight-band spectropolarimetric camera mounted on a rotating gimbal to acquire push-broom imagery of outdoor landscapes. The camera uses a photoelastic-modulator-based polarimetric imaging technique to measure linear Stokes parameters in three wavebands (470, 660, and 865 nm) with a +/-0.005 uncertainty in degree of linear polarization (DoLP). Comparisons between MSPI measurements, BRDM models, and common modifications to the model are made over a range of scattering angles determined from a fixed viewing geometry and varying sun positions over time. The BRDM model is comprised of a volumetric reflection term plus a specular reflection term of Fresnel-reflecting micro-facets. We consider modifications to this model using a shadowing function and two different micro-facet scattering density functions. We report the root-mean-square error (RMSE) between the Ground-MSPI measurements and BRDM model. The BRDM model predicts an angle of the linear polarization (AoLP) that is perpendicular to the scattering plane. This is usually, but not always, observed in Ground-MSPI measurements and in this work we offer explanations for some of the deviations from the model.

  7. New filter for iodine applied in nuclear medicine services.

    PubMed

    Ramos, V S; Crispim, V R; Brandão, L E B

    2013-12-01

    In Nuclear Medicine, radioiodine, in various chemical forms, is a key tracer used in diagnostic practices and/or therapy. Medical professionals may incorporate radioactive iodine during the preparation of the dose to be administered to the patient. In radioactive iodine therapy doses ranging from 3.7 to 7.4 GBq per patient are employed. Thus, aiming at reducing the risk of occupational contamination, we developed a low cost filter to be installed at the exit of the exhaust system (where doses of radioiodine are handled within fume hoods, and new filters will be installed at their exit), using domestic technology. The effectiveness of radioactive iodine retention by silver impregnated silica [10%] crystals and natural activated carbon was verified using radiotracer techniques. The results showed that natural activated carbon and silver impregnated silica are effective for I2 capture with large or small amounts of substrate but the use of activated carbon is restricted due to its low flash point (423 K). Besides, when poisoned by organic solvents, this flash point may become lower, causing explosions if absorbing large amounts of nitrates. To hold the CH3I gas, it was necessary to use natural activated carbon since it was not absorbed by SiO2+Ag crystals. We concluded that, for an exhaust flow range of (145 ± 2)m(3)/h, a double stage filter using SiO2+Ag in the first stage and natural activated carbon in the second stage is sufficient to meet radiological safety requirements. PMID:23974306

  8. p -shell carrier assisted dynamic nuclear spin polarization in single quantum dots at zero external magnetic field

    NASA Astrophysics Data System (ADS)

    Fong, C. F.; Ota, Y.; Harbord, E.; Iwamoto, S.; Arakawa, Y.

    2016-03-01

    Repeated injection of spin-polarized carriers in a quantum dot (QD) leads to the polarization of nuclear spins, a process known as dynamic nuclear spin polarization (DNP). Here, we report the observation of p-shell carrier assisted DNP in single QDs at zero external magnetic field. The nuclear field—measured by using the Overhauser shift of the singly charged exciton state of the QDs—continues to increase, even after the carrier population in the s-shell saturates. This is also accompanied by an abrupt increase in nuclear spin buildup time as p-shell emission overtakes that of the s shell. We attribute the observation to p-shell electrons strongly altering the nuclear spin dynamics in the QD, supported by numerical simulation results based on a rate equation model of coupling between electron and nuclear spin system. Dynamic nuclear spin polarization with p-shell carriers could open up avenues for further control to increase the degree of nuclear spin polarization in QDs.

  9. Achievement of high nuclear spin polarization using lanthanides as low-temperature NMR relaxation agents.

    PubMed

    Peat, David T; Horsewill, Anthony J; Köckenberger, Walter; Perez Linde, Angel J; Gadian, David G; Owers-Bradley, John R

    2013-05-28

    Many approaches are now available for achieving high levels of nuclear spin polarization. One of these methods is based on the notion that as the temperature is reduced, the equilibrium nuclear polarization will increase, according to the Boltzmann distribution. The main problem with this approach is the length of time it may take to approach thermal equilibrium at low temperatures, since nuclear relaxation times (characterized by the spin-lattice relaxation time T1) can become very long. Here, we show, by means of relaxation time measurements of frozen solutions, that selected lanthanide ions, in the form of their chelates with DTPA, can act as effective relaxation agents at low temperatures. Differential effects are seen with the different lanthanides that were tested, holmium and dysprosium showing highest relaxivity, while gadolinium is ineffective at temperatures of 20 K and below. These observations are consistent with the known electron-spin relaxation time characteristics of these lanthanides. The maximum relaxivity occurs at around 10 K for Ho-DTPA and 20 K for Dy-DTPA. Moreover, these two agents show only modest relaxivity at room temperature, and can thus be regarded as relaxation switches. We conclude that these agents can speed up solid state NMR experiments by reducing the T1 values of the relevant nuclei, and hence increasing the rate at which data can be acquired. They could also be of value in the context of a simple low-cost method of achieving several-hundred-fold improvements in polarization for experiments in which samples are pre-polarized at low temperatures, then rewarmed and dissolved immediately prior to analysis. PMID:23588269

  10. Low-Temperature Dynamic Nuclear Polarization at 9.4 Tesla With a 30 Milliwatt Microwave Source

    PubMed Central

    Thurber, Kent R.; Yau, Wai-Ming; Tycko, Robert

    2010-01-01

    Dynamic nuclear polarization (DNP) can provide large signal enhancements in nuclear magnetic resonance (NMR) by transfer of polarization from electron spins to nuclear spins. We discuss several aspects of DNP experiments at 9.4 Tesla (400 MHz resonant frequency for 1H, 264 GHz for electron spins in organic radicals) in the 7–80 K temperature range, using a 30 mW, frequency-tunable microwave source and a quasi-optical microwave bridge for polarization control and low-loss microwave transmission. In experiments on frozen glycerol/water doped with nitroxide radicals, DNP signal enhancements up to a factor of 80 are observed (relative to 1H NMR signals with thermal equilibrium spin polarization). The largest sensitivity enhancements are observed with a new triradical dopant, DOTOPA-TEMPO. Field modulation with a 10 G root-mean-squared amplitude during DNP increases the nuclear spin polarizations by up to 135%. Dependencies of 1H NMR signal amplitudes, nuclear spin relaxation times, and DNP build-up times on the dopant and its concentration, temperature, microwave power, and modulation frequency are reported and discussed. The benefits of low-temperature DNP can be dramatic: the 1H spin polarization is increased approximately 1000-fold at 7 K with DNP, relative to thermal polarization at 80 K. PMID:20392658

  11. Low-temperature dynamic nuclear polarization at 9.4 T with a 30 mW microwave source

    NASA Astrophysics Data System (ADS)

    Thurber, Kent R.; Yau, Wai-Ming; Tycko, Robert

    2010-06-01

    Dynamic nuclear polarization (DNP) can provide large signal enhancements in nuclear magnetic resonance (NMR) by transfer of polarization from electron spins to nuclear spins. We discuss several aspects of DNP experiments at 9.4 T (400 MHz resonant frequency for 1H, 264 GHz for electron spins in organic radicals) in the 7-80 K temperature range, using a 30 mW, frequency-tunable microwave source and a quasi-optical microwave bridge for polarization control and low-loss microwave transmission. In experiments on frozen glycerol/water doped with nitroxide radicals, DNP signal enhancements up to a factor of 80 are observed (relative to 1H NMR signals with thermal equilibrium spin polarization). The largest sensitivity enhancements are observed with a new triradical dopant, DOTOPA-TEMPO. Field modulation with a 10 G root-mean-squared amplitude during DNP increases the nuclear spin polarizations by up to 135%. Dependencies of 1H NMR signal amplitudes, nuclear spin relaxation times, and DNP build-up times on the dopant and its concentration, temperature, microwave power, and modulation frequency are reported and discussed. The benefits of low-temperature DNP can be dramatic: the 1H spin polarization is increased approximately 1000-fold at 7 K with DNP, relative to thermal polarization at 80 K.

  12. Applied Nuclear Science Research and Development progress report, June 1, 1984-May 31, 1985

    SciTech Connect

    Arthur, E.D.; Mutschlecner, A.D.

    1985-09-01

    This progress report describes the activities of the Los Alamos Applied Nuclear Science Group for June 1, 1984 through May 31, 1985. The topical content includes the theory and evaluation of nuclear cross sections; neutron cross section processing and testing; neutron activation, fission products and actinides; and core neutronics code development and application. 70 refs., 31 figs., 15 tabs. (WRF)

  13. Nuclear spin polarization following intermediate-energy heavy-ion reactions

    SciTech Connect

    Groh, D. E.; Pinter, J. S.; Mantica, P. F.; Mertzimekis, T. J.; Stuchbery, A. E.; Khoa, D. T.

    2007-11-15

    Intermediate-energy heavy-ion collisions can produce a spin polarization of the projectile-like species. Spin polarization has been observed for both nucleon removal and nucleon pickup processes. Qualitative agreement with measured spin polarization as a function of the momentum of the projectile-like fragment is found in a kinematic model that considers conservation of linear and angular momentum and assumes peripheral interactions between the fast projectile and target. Better quantitative agreement was reached by including more realistic angular distributions and deorientation caused by {gamma}-ray emission and by correcting for the out-of-plane acceptance. The newly introduced corrections were found to apply to both nucleon removal and nucleon pickup processes.

  14. Correlation measurements in nuclear {beta}-decay using traps and polarized low energy beams

    SciTech Connect

    Naviliat-Cuncic, Oscar

    2013-05-06

    Precision measurements in nuclear {beta}-decay provide sensitive means to test discrete symmetries in the weak interaction and to determine some of the fundamental constants in semi-leptonic decays, like the coupling of the lightest quarks to charged weak bosons. The main motivation of such measurements is to find deviations from Standard Model predictions as possible indications of new physics. In this contribution I will focus on two topics related to precision measurements in nuclear {beta}-decay: i) the determination of the V{sub ud} element of the Cabibbo-Kobayashi-Maskawa quark mixing matrix from nuclear mirror transitions and ii) the search for exotic scalar or tensor contributions from {beta}{nu} angular correlations. The purpose is to underline the role being played by experimental techniques based on the confinement of radioactive species with atom and ion traps as well as the plans to use low energy polarized beams.

  15. {sup 1}H and {sup 15}N dynamic nuclear polarization studies of carbazole

    SciTech Connect

    Hu, J.Z.; Solum, M.S.; Wind, R.A.; Nilsson, B.L.; Peterson, M.A.; Pugmire, R.J.; Grant, D.M.

    2000-05-18

    {sup 15}N NMR experiments, combined with dynamic nuclear polarization (DNP), are reported on carbazole doped with the stable free radical 1,3-bisdiphenylene-2-phenylallyl (BDPA). Doping shortens the nuclear relaxation times and provides paramagnetic centers that can be used to enhance the nuclear signal by means of DNP so that {sup 15}N NMR experiments can be done in minutes. The factors were measured in a 1.4 T external field, using both unlabeled and 98% {sup 15}N labeled carbazole with doping levels varying between 0.65 and 5.0 wt {degree} BDPA. A doping level of approximately 1 wt {degree} produced optimal results. DNP enhancement factors of 35 and 930 were obtained for {sup 1}H and {sup 15}N, respectively, making it possible to perform {sup 15}N DNP NMR experiments at the natural abundance level.

  16. 1H and 15N Dynamic Nuclear Polarization Studies of Carbazole

    SciTech Connect

    Hu, Jian Zhi; Solum, Mark S.; Wind, Robert A.; Nilsson, Brad L.; Peterson, Matt A.; Pugmire, Ronald J.; Grant, David M.

    2000-01-01

    15N NMR experiments, combined with dynamic nuclear polarization (DNP), are reported on carbazole doped with the stable free radical 1,3 bisdiphenylene-2 phenylally1 (BDPA). Doping shortens the nuclear relaxation times and provides paramagnetic centers that can be used to enhance the nuclear signal by means of DNP so that 15 N NMR experiments can be done in minutes. The factors were measured in a 1.4 T external field, using both unlabeled and 98% 15N labeled carbazole with doping levels varying between 0.65 and 5.0 wt % BDPA. A doping level of approximately 1 wt % produced optimal results. DNP enhancement factors of 35 and 930 were obtained for 1H and 15N, respectively making it possible to perform 15N DNP NMR experiments at the natural abundance level.

  17. 250 GHz CW gyrotron oscillator for dynamic nuclear polarization in biological solid state NMR

    NASA Astrophysics Data System (ADS)

    Bajaj, Vikram S.; Hornstein, Melissa K.; Kreischer, Kenneth E.; Sirigiri, Jagadishwar R.; Woskov, Paul P.; Mak-Jurkauskas, Melody L.; Herzfeld, Judith; Temkin, Richard J.; Griffin, Robert G.

    2007-12-01

    In this paper, we describe a 250 GHz gyrotron oscillator, a critical component of an integrated system for magic angle spinning (MAS) dynamic nuclear polarization (DNP) experiments at 9 T, corresponding to 380 MHz 1H frequency. The 250 GHz gyrotron is the first gyro-device designed with the goal of seamless integration with an NMR spectrometer for routine DNP enhanced NMR spectroscopy and has operated under computer control for periods of up to 21 days with a 100% duty cycle. Following a brief historical review of the field, we present studies of the membrane protein bacteriorhodopsin (bR) using DNP enhanced multidimensional NMR. These results include assignment of active site resonances in [U- 13C, 15N]-bR and demonstrate the utility of DNP for studies of membrane proteins. Next, we review the theory of gyro-devices from quantum mechanical and classical viewpoints and discuss the unique considerations that apply to gyrotron oscillators designed for DNP experiments. We then characterize the operation of the 250 GHz gyrotron in detail, including its long-term stability and controllability. We have measured the spectral purity of the gyrotron emission using both homodyne and heterodyne techniques. Radiation intensity patterns from the corrugated waveguide that delivers power to the NMR probe were measured using two new techniques to confirm pure mode content: a thermometric approach based on the temperature-dependent color of liquid crystalline media applied to a substrate and imaging with a pyroelectric camera. We next present a detailed study of the mode excitation characteristics of the gyrotron. Exploration of the operating characteristics of several fundamental modes reveals broadband continuous frequency tuning of up to 1.8 GHz as a function of the magnetic field alone, a feature that may be exploited in future tunable gyrotron designs. Oscillation of the 250 GHz gyrotron at the second harmonic of cyclotron resonance begins at extremely low beam currents (as

  18. 250GHz CW gyrotron oscillator for dynamic nuclear polarization in biological solid state NMR.

    PubMed

    Bajaj, Vikram S; Hornstein, Melissa K; Kreischer, Kenneth E; Sirigiri, Jagadishwar R; Woskov, Paul P; Mak-Jurkauskas, Melody L; Herzfeld, Judith; Temkin, Richard J; Griffin, Robert G

    2007-12-01

    In this paper, we describe a 250 GHz gyrotron oscillator, a critical component of an integrated system for magic angle spinning (MAS) dynamic nuclear polarization (DNP) experiments at 9T, corresponding to 380 MHz (1)H frequency. The 250 GHz gyrotron is the first gyro-device designed with the goal of seamless integration with an NMR spectrometer for routine DNP enhanced NMR spectroscopy and has operated under computer control for periods of up to 21 days with a 100% duty cycle. Following a brief historical review of the field, we present studies of the membrane protein bacteriorhodopsin (bR) using DNP enhanced multidimensional NMR. These results include assignment of active site resonances in [U-(13)C, (15)N]-bR and demonstrate the utility of DNP for studies of membrane proteins. Next, we review the theory of gyro-devices from quantum mechanical and classical viewpoints and discuss the unique considerations that apply to gyrotron oscillators designed for DNP experiments. We then characterize the operation of the 250 GHz gyrotron in detail, including its long-term stability and controllability. We have measured the spectral purity of the gyrotron emission using both homodyne and heterodyne techniques. Radiation intensity patterns from the corrugated waveguide that delivers power to the NMR probe were measured using two new techniques to confirm pure mode content: a thermometric approach based on the temperature-dependent color of liquid crystalline media applied to a substrate and imaging with a pyroelectric camera. We next present a detailed study of the mode excitation characteristics of the gyrotron. Exploration of the operating characteristics of several fundamental modes reveals broadband continuous frequency tuning of up to 1.8 GHz as a function of the magnetic field alone, a feature that may be exploited in future tunable gyrotron designs. Oscillation of the 250 GHz gyrotron at the second harmonic of cyclotron resonance begins at extremely low beam currents

  19. 250 GHz CW Gyrotron Oscillator for Dynamic Nuclear Polarization in Biological Solid State NMR

    PubMed Central

    Bajaj, Vikram S.; Hornstein, Melissa K.; Kreischer, Kenneth E.; Sirigiri, Jagadishwar R.; Woskov, Paul P.; Mak-Jurkauskas, Melody L.; Herzfeld, Judith; Temkin, Richard J.; Griffin, Robert G.

    2009-01-01

    In this paper, we describe a 250 GHz gyrotron oscillator, a critical component of an integrated system for magic angle spinning (MAS) dynamic nuclear polarization (DNP) experiments at 9T, corresponding to 380 MHz 1H frequency. The 250 GHz gyrotron is the first gyro-device designed with the goal of seamless integration with an NMR spectrometer for routine DNP-enhanced NMR spectroscopy and has operated under computer control for periods of up to 21 days with a 100% duty cycle. Following a brief historical review of the field, we present studies of the membrane protein bacteriorhodopsin (bR) using DNP-enhanced multidimensional NMR. These results include assignment of active site resonances in [U-13C,15N]-bR and demonstrate the utility of DNP for studies of membrane proteins. Next, we review the theory of gyro-devices from quantum mechanical and classical viewpoints and discuss the unique considerations that apply to gyrotron oscillators designed for DNP experiments. We then characterize the operation of the 250 GHz gyrotron in detail, including its long-term stability and controllability. We have measured the spectral purity of the gyrotron emission using both homodyne and heterodyne techniques. Radiation intensity patterns from the corrugated waveguide that delivers power to the NMR probe were measured using two new techniques to confirm pure mode content: a thermometric approach based on the temperature-dependent color of liquid crystalline media applied to a substrate and imaging with a pyroelectric camera. We next present a detailed study of the mode excitation characteristics of the gyrotron. Exploration of the operating characteristics of several fundamental modes reveals broadband continuous frequency tuning of up to 1.8 GHz as a function of the magnetic field alone, a feature that may be exploited in future tunable gyrotron designs. Oscillation of the 250 GHz gyrotron at the second harmonic of cyclotron resonance begins at extremely low beam currents (as low

  20. Increasing oral absorption of polar neuraminidase inhibitors: a prodrug transporter approach applied to oseltamivir analogue.

    PubMed

    Gupta, Deepak; Varghese Gupta, Sheeba; Dahan, Arik; Tsume, Yasuhiro; Hilfinger, John; Lee, Kyung-Dall; Amidon, Gordon L

    2013-02-01

    Poor oral absorption is one of the limiting factors in utilizing the full potential of polar antiviral agents. The neuraminidase target site requires a polar chemical structure for high affinity binding, thus limiting oral efficacy of many high affinity ligands. The aim of this study was to overcome this poor oral absorption barrier, utilizing prodrug to target the apical brush border peptide transporter 1 (PEPT1). Guanidine oseltamivir carboxylate (GOCarb) is a highly active polar antiviral agent with insufficient oral bioavailability (4%) to be an effective therapeutic agent. In this report we utilize a carrier-mediated targeted prodrug approach to improve the oral absorption of GOCarb. Acyloxy(alkyl) ester based amino acid linked prodrugs were synthesized and evaluated as potential substrates of mucosal transporters, e.g., PEPT1. Prodrugs were also evaluated for their chemical and enzymatic stability. PEPT1 transport studies included [(3)H]Gly-Sar uptake inhibition in Caco-2 cells and cellular uptake experiments using HeLa cells overexpressing PEPT1. The intestinal membrane permeabilities of the selected prodrugs and the parent drug were then evaluated for epithelial cell transport across Caco-2 monolayers, and in the in situ rat intestinal jejunal perfusion model. Prodrugs exhibited a pH dependent stability with higher stability at acidic pHs. Significant inhibition of uptake (IC(50) <1 mM) was observed for l-valyl and l-isoleucyl amino acid prodrugs in competition experiments with [(3)H]Gly-Sar, indicating a 3-6 times higher affinity for PEPT1 compared to valacyclovir, a well-known PEPT1 substrate and >30-fold increase in affinity compared to GOCarb. The l-valyl prodrug exhibited significant enhancement of uptake in PEPT1/HeLa cells and compared favorably with the well-absorbed valacyclovir. Transepithelial permeability across Caco-2 monolayers showed that these amino acid prodrugs have a 2-5-fold increase in permeability as compared to the parent drug and

  1. A 129 GHz dynamic nuclear polarizer in a wide-bore superconducting magnet

    NASA Astrophysics Data System (ADS)

    Lumata, Lloyd; Martin, Richard; Jindal, Ashish; Malloy, Craig; Sherry, A. Dean; Conradi, Mark S.; Merritt, Matthew

    2011-03-01

    Dynamic nuclear polarization via fast dissolution method has allowed production of solutions containing highly-polarized nuclei (> 10 , 000 - foldenhancementoftheroom - temperatureliquid - stateNMRsignal) ofbio - moleculesfor invitro and invivo metabolicnuclearmagneticresonancespectroscopy (MRS) andimaging (MRI) . Herewepresenttheconstructionanduseofa 129 GHzdynamicnuclearpolarizerina 4.6 Twide - boresuperconductingmagnet . Therelativelylargebore (150 mm) ofthesuperconductingmagnetallowstheuseofacryostatseparatefromthemagnetandroutingofthemicrowavessuchthatthewaveguidedoesnothavetoberemovedbeforedissolution . A 100 mW microwave source operating at 129 GHz was used to irradiate the samples. The cryostat has a 10- liter liquid Helium capacity which lasts for 10-12 hrs of continuous operation. Base temperature of 1.15 K is achieved with a 450 m 3 / hr roots blower pump. Preliminary results will be discussed. This work is supported in part by the National Institutes of Health grant numbers 1R21EB009147-01 and RR02584.

  2. Dynamic Nuclear Polarization of membrane proteins: covalently bound spin-labels at protein-protein interfaces

    PubMed Central

    Wylie, Benjamin J; Dzikovski, Boris G.; Pawsey, Shane; Caporini, Marc; Rosay, Melanie; Freed, Jack H.; McDermott, Ann E.

    2016-01-01

    We demonstrate that dynamic nuclear polarization (DNP) of membrane proteins in lipid bilayers may be achieved using a novel polarizing agent: pairs of spin labels covalently bound to a protein of interest interacting at an intermolecular interaction surface. For gramicidin A, nitroxide tags attached to the N-terminal intermolecular interface region become proximal only when bimolecular channels forms in the membrane. We obtained signal enhancements of 6-fold for the dimeric protein. The enhancement affect was comparable to that of a doubly tagged sample of gramicidin C, with intramolecular spin pairs. This approach could be a powerful and selective means for signal enhancement in membrane proteins, and for recognizing intermolecular interfaces. PMID:25828256

  3. Efficient Dynamic Nuclear Polarization at 800 MHz/527 GHz with Trityl-Nitroxide Biradicals.

    PubMed

    Mathies, Guinevere; Caporini, Marc A; Michaelis, Vladimir K; Liu, Yangping; Hu, Kan-Nian; Mance, Deni; Zweier, Jay L; Rosay, Melanie; Baldus, Marc; Griffin, Robert G

    2015-09-28

    Cross-effect (CE) dynamic nuclear polarization (DNP) is a rapidly developing technique that enhances the signal intensities in magic-angle spinning (MAS) NMR spectra. We report CE DNP experiments at 211, 600, and 800 MHz using a new series of biradical polarizing agents referred to as TEMTriPols, in which a nitroxide (TEMPO) and a trityl radical are chemically tethered. The TEMTriPol molecule with the optimal performance yields a record (1) H NMR signal enhancement of 65 at 800 MHz at a concentration of 10 mM in a glycerol/water solvent matrix. The CE DNP enhancement for the TEMTriPol biradicals does not decrease as the magnetic field is increased in the manner usually observed for bis-nitroxides. Instead, the relatively strong exchange interaction between the trityl and nitroxide moieties determines the magnetic field at which the optimum enhancement is observed. PMID:26268156

  4. Focusing Sources on Induced Polarization and Electrical Resistivity Method Applied to Soil Pollution Problems

    NASA Astrophysics Data System (ADS)

    Tejero, A.; Lopez, A.; Induced Polarization Team

    2013-05-01

    In recent years the problems of soil contamination have been increasing and geophysical methods, particularly electrical resistivity tomography (ERT) have struggled to find and monitor cases of contamination. Moreover, Induced Polarization (IP) has shown promise in mapping contaminant plumes, although both techniques (ERT and IP) have problems like noise, inductive coupling, effects of electrodes, etc. limiting the precision and accuracy of the data. To overcome these problems, this paper introduces a novel technique of focusing sources. This technique reduces the effects of adjacent vertical formations and contacts due to the flowing of current in a vertical way at the zone where the electrode potentials have been deployed. This fact allows obtaining cleaner data of ERT and IP. In order to introduce the proposed technique a vertical contact synthetic model is studied and after to a cultivar area in Hidalgo State, México which presents different types of

  5. Applying polarity rapid assessment method and ultrafiltration to characterize NDMA precursors in wastewater effluents.

    PubMed

    Chen, Chao; Leavey, Shannon; Krasner, Stuart W; Mel Suffet, I H

    2014-06-15

    Certain nitrosamines in water are disinfection byproducts that are probable human carcinogens. Nitrosamines have diverse and complex precursors that include effluent organic matter, some anthropogenic chemicals, and natural (likely non-humic) substances. An easy and selective tool was first developed to characterize nitrosamine precursors in treated wastewaters, including different process effluents. This tool takes advantages of the polarity rapid assessment method (PRAM) and ultrafiltration (UF) (molecular weight distribution) to locate the fractions with the strongest contributions to the nitrosamine precursor pool in the effluent organic matter. Strong cation exchange (SCX) and C18 solid-phase extraction cartridges were used for their high selectivity for nitrosamine precursors. The details of PRAM operation, such as cartridge clean-up, capacity, pH influence, and quality control were included in this paper, as well as the main parameters of UF operation. Preliminary testing of the PRAM/UF method with effluents from one wastewater treatment plant gave very informative results. SCX retained 45-90% of the N-nitrosodimethylamine (NDMA) formation potential (FP)-a measure of the precursors-in secondary and tertiary wastewater effluents. These results are consistent with NDMA precursors likely having a positively charged amine group. C18 adsorbed 30-45% of the NDMAFP, which indicates that a substantial portion of these precursors were non-polar. The small molecular weight (MW) (<1 kDa) and large MW (>10 kDa) fractions obtained from UF were the primary contributors to NDMAFP. The combination of PRAM and UF brings important information on the characteristics of nitrosamine precursors in water with easy operation. PMID:24709532

  6. Microtubule Initiation from the Nuclear Surface Controls Cortical Microtubule Growth Polarity and Orientation in Arabidopsis thaliana

    PubMed Central

    Ambrose, Chris; Wasteneys, Geoffrey O.

    2014-01-01

    The nuclear envelope in plant cells has long been known to be a microtubule organizing center (MTOC), but its influence on microtubule organization in the cell cortex has been unclear. Here we show that nuclear MTOC activity favors the formation of longitudinal cortical microtubule (CMT) arrays. We used green fluorescent protein (GFP)-tagged gamma tubulin-complex protein 2 (GCP2) to identify nuclear MTOC activity and GFP-tagged End-Binding Protein 1b (EB1b) to track microtubule growth directions. We found that microtubules initiate from nuclei and enter the cortex in two directions along the long axis of the cell, creating bipolar longitudinal CMT arrays. Such arrays were observed in all cell types showing nuclear MTOC activity, including root hairs, recently divided cells in root tips, and the leaf epidermis. In order to confirm the causal nature of nuclei in bipolar array formation, we displaced nuclei by centrifugation, which generated a corresponding shift in the bipolarity split point. We also found that bipolar CMT arrays were associated with bidirectional trafficking of vesicular components to cell ends. Together, these findings reveal a conserved function of plant nuclear MTOCs and centrosomes/spindle pole bodies in animals and fungi, wherein all structures serve to establish polarities in microtubule growth. PMID:25008974

  7. Control of transmission of right circularly polarized laser light in overdense plasma by applied magnetic field pulses.

    PubMed

    Ma, Guangjin; Yu, Wei; Yu, M Y; Luan, Shixia; Wu, Dong

    2016-05-01

    The effect of a transient magnetic field on right-hand circularly polarized (RHCP) laser light propagation in overcritical-density plasma is investigated. When the electron gyrofrequency is larger than the wave frequency, RHCP light can propagate along the external magnetic field in an overcritical density plasma without resonance or cutoff. However, when the magnetic field falls to below the cyclotron resonance point, the propagating laser pulse will be truncated and the local plasma electrons resonantly heated. Particle-in-cell simulation shows that when applied to a thin slab, the process can produce intense two-cycle light pulses as well as long-lasting self-magnetic fields. PMID:27300997

  8. Control of transmission of right circularly polarized laser light in overdense plasma by applied magnetic field pulses

    NASA Astrophysics Data System (ADS)

    Ma, Guangjin; Yu, Wei; Yu, M. Y.; Luan, Shixia; Wu, Dong

    2016-05-01

    The effect of a transient magnetic field on right-hand circularly polarized (RHCP) laser light propagation in overcritical-density plasma is investigated. When the electron gyrofrequency is larger than the wave frequency, RHCP light can propagate along the external magnetic field in an overcritical density plasma without resonance or cutoff. However, when the magnetic field falls to below the cyclotron resonance point, the propagating laser pulse will be truncated and the local plasma electrons resonantly heated. Particle-in-cell simulation shows that when applied to a thin slab, the process can produce intense two-cycle light pulses as well as long-lasting self-magnetic fields.

  9. Interlayer transport of nuclear spin polarization in ν = 2/3 quantum Hall states

    NASA Astrophysics Data System (ADS)

    Tsuda, S.; Nguyen, M. H.; Terasawa, D.; Fukuda, A.; Zheng, Y. D.; Arai, T.; Sawada, A.

    2013-12-01

    We investigated the interlayer diffusion of nuclear spin polarization (NSP) by using the phase transition point of quantum Hall states at a Landau level filling factor of ν ν 2/3 in a double quantum well sample. When the NSP is current-pumped in one layer, the magnetoresistance in the other layer is enhanced after a delay of 150 s and the raising speed of this layer is lower than that of the pumped layer. The delay and lower value of the raising speed are explained by the diffusion of NSP.

  10. Interlayer transport of nuclear spin polarization in ν = 2/3 quantum Hall states

    SciTech Connect

    Tsuda, S.; Nguyen, M. H.; Terasawa, D.; Fukuda, A.; Zheng, Y. D.; Arai, T.; Sawada, A.

    2013-12-04

    We investigated the interlayer diffusion of nuclear spin polarization (NSP) by using the phase transition point of quantum Hall states at a Landau level filling factor of ν ν 2/3 in a double quantum well sample. When the NSP is current-pumped in one layer, the magnetoresistance in the other layer is enhanced after a delay of 150 s and the raising speed of this layer is lower than that of the pumped layer. The delay and lower value of the raising speed are explained by the diffusion of NSP.

  11. Instrumentation for solid-state dynamic nuclear polarization with magic angle spinning NMR

    NASA Astrophysics Data System (ADS)

    Rosay, Melanie; Blank, Monica; Engelke, Frank

    2016-03-01

    Advances in dynamic nuclear polarization (DNP) instrumentation and methodology have been key factors in the recent growth of solid-state DNP NMR applications. We review the current state of the art of solid-state DNP NMR instrumentation primarily based on available commercial platforms. We start with a general system overview, including options for microwave sources and DNP NMR probes, and then focus on specific developments for DNP at 100 K with magic angle spinning (MAS). Gyrotron microwave sources, passive components to transmit microwaves, the DNP MAS probe, a cooling device for low-temperature MAS, and sample preparation procedures including radicals for DNP are considered.

  12. Dynamic nuclear polarization at 9T using a novel 250 gyrotron microwave source.

    PubMed

    Griffin, Robert G

    2011-12-01

    In the 1990's we initiated development of high frequency gyrotron microwave sources with the goal of performing dynamic nuclear polarization at magnetic fields (∼5-23 T) used in contemporary NMR experiments. This article describes the motivation for these efforts and the developments that led to the operation of a gyrotron source for DNP operating at 250 GHz. We also mention results obtained with this instrument that would have been otherwise impossible absent the increased sensitivity. Finally, we describe recent efforts that have extended DNP to 460 GHz and 700 MHz (1)H frequencies. PMID:22152359

  13. Instrumentation for solid-state dynamic nuclear polarization with magic angle spinning NMR.

    PubMed

    Rosay, Melanie; Blank, Monica; Engelke, Frank

    2016-03-01

    Advances in dynamic nuclear polarization (DNP) instrumentation and methodology have been key factors in the recent growth of solid-state DNP NMR applications. We review the current state of the art of solid-state DNP NMR instrumentation primarily based on available commercial platforms. We start with a general system overview, including options for microwave sources and DNP NMR probes, and then focus on specific developments for DNP at 100K with magic angle spinning (MAS). Gyrotron microwave sources, passive components to transmit microwaves, the DNP MAS probe, a cooling device for low-temperature MAS, and sample preparation procedures including radicals for DNP are considered. PMID:26920834

  14. Dynamic nuclear polarization at 9T using a novel 250 Gyrotron microwave source

    NASA Astrophysics Data System (ADS)

    Griffin, Robert G.

    2011-12-01

    In the 1990's we initiated development of high frequency gyrotron microwave sources with the goal of performing dynamic nuclear polarization at magnetic fields (˜5-23 T) used in contemporary NMR experiments. This article describes the motivation for these efforts and the developments that led to the operation of a gyrotron source for DNP operating at 250 GHz. We also mention results obtained with this instrument that would have been otherwise impossible absent the increased sensitivity. Finally, we describe recent efforts that have extended DNP to 460 GHz and 700 MHz 1H frequencies.

  15. Dynamic nuclear polarization methods in solids and solutions to explore membrane proteins and membrane systems.

    PubMed

    Cheng, Chi-Yuan; Han, Songi

    2013-01-01

    Membrane proteins regulate vital cellular processes, including signaling, ion transport, and vesicular trafficking. Obtaining experimental access to their structures, conformational fluctuations, orientations, locations, and hydration in membrane environments, as well as the lipid membrane properties, is critical to understanding their functions. Dynamic nuclear polarization (DNP) of frozen solids can dramatically boost the sensitivity of current solid-state nuclear magnetic resonance tools to enhance access to membrane protein structures in native membrane environments. Overhauser DNP in the solution state can map out the local and site-specific hydration dynamics landscape of membrane proteins and lipid membranes, critically complementing the structural and dynamics information obtained by electron paramagnetic resonance spectroscopy. Here, we provide an overview of how DNP methods in solids and solutions can significantly increase our understanding of membrane protein structures, dynamics, functions, and hydration in complex biological membrane environments. PMID:23331309

  16. The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning

    SciTech Connect

    Mance, Deni; Baldus, Marc; Gast, Peter; Huber, Martina; Ivanov, Konstantin L.

    2015-06-21

    We develop a theoretical description of Dynamic Nuclear Polarization (DNP) in solids under Magic Angle Spinning (MAS) to describe the magnetic field dependence of the DNP effect. The treatment is based on an efficient scheme for numerical solution of the Liouville-von Neumann equation, which explicitly takes into account the variation of magnetic interactions during the sample spinning. The dependence of the cross-effect MAS-DNP on various parameters, such as the hyperfine interaction, electron-electron dipolar interaction, microwave field strength, and electron spin relaxation rates, is analyzed. Electron spin relaxation rates are determined by electron paramagnetic resonance measurements, and calculations are compared to experimental data. Our results suggest that the observed nuclear magnetic resonance signal enhancements provided by MAS-DNP can be explained by discriminating between “bulk” and “core” nuclei and by taking into account the slow DNP build-up rate for the bulk nuclei.

  17. Dynamic nuclear polarization in solid samples by electrical-discharge-induced radicals

    NASA Astrophysics Data System (ADS)

    Katz, Itai; Blank, Aharon

    2015-12-01

    Dynamic nuclear polarization (DNP) is a method for enhancing nuclear magnetic resonance (NMR) signals that has many potential applications in chemistry and medicine. Traditionally, DNP signal enhancement is achieved through the use of exogenous radicals mixed in a solution with the molecules of interest. Here we show that proton DNP signal enhancements can be obtained for solid samples without the use of solvent and exogenous radicals. Radicals are generated primarily on the surface of a solid sample using electrical discharges. These radicals are found suitable for DNP. They are stable under moderate vacuum conditions, yet readily annihilate upon compound dissolution or air exposure. This feature makes them attractive for use in medical applications, where the current variety of radicals used for DNP faces regulatory problems. In addition, this solvent-free method may be found useful for analytical NMR of solid samples which cannot tolerate solvents, such as certain pharmaceutical products.

  18. The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning

    NASA Astrophysics Data System (ADS)

    Mance, Deni; Gast, Peter; Huber, Martina; Baldus, Marc; Ivanov, Konstantin L.

    2015-06-01

    We develop a theoretical description of Dynamic Nuclear Polarization (DNP) in solids under Magic Angle Spinning (MAS) to describe the magnetic field dependence of the DNP effect. The treatment is based on an efficient scheme for numerical solution of the Liouville-von Neumann equation, which explicitly takes into account the variation of magnetic interactions during the sample spinning. The dependence of the cross-effect MAS-DNP on various parameters, such as the hyperfine interaction, electron-electron dipolar interaction, microwave field strength, and electron spin relaxation rates, is analyzed. Electron spin relaxation rates are determined by electron paramagnetic resonance measurements, and calculations are compared to experimental data. Our results suggest that the observed nuclear magnetic resonance signal enhancements provided by MAS-DNP can be explained by discriminating between "bulk" and "core" nuclei and by taking into account the slow DNP build-up rate for the bulk nuclei.

  19. Low magnetic field dynamic nuclear polarization using a single-coil two-channel probe

    SciTech Connect

    TonThat, D.M.; Augustine, M.P.; Pines, A.; Clarke, J. |

    1997-03-01

    We describe the design and construction of a single-coil, two-channel probe for the detection of low-field magnetic resonance using dynamic nuclear polarization (DNP). The high-frequency channel of the probe, which is used to saturate the electron spins, is tuned to the electron Larmor frequency, 75 MHz at 2.7 mT, and matched to 50 {Omega}. Low-field, {sup 1}H nuclear magnetic resonance (NMR) is detected through the second, low-frequency channel at frequencies {lt}1 MHz. The performance of the probe was tested by measuring the DNP of protons in a manganese (II) chloride solution at 2.7 mT. At the proton NMR frequency of 120 kHz, the signal amplitude was enhanced over the value without DNP by a factor of about 200. {copyright} {ital 1997 American Institute of Physics.}

  20. Selective Protein Hyperpolarization in Cell Lysates Using Targeted Dynamic Nuclear Polarization.

    PubMed

    Viennet, Thibault; Viegas, Aldino; Kuepper, Arne; Arens, Sabine; Gelev, Vladimir; Petrov, Ognyan; Grossmann, Tom N; Heise, Henrike; Etzkorn, Manuel

    2016-08-26

    Nuclear magnetic resonance (NMR) spectroscopy has the intrinsic capabilities to investigate proteins in native environments. In general, however, NMR relies on non-natural protein purity and concentration to increase the desired signal over the background. We here report on the efficient and specific hyperpolarization of low amounts of a target protein in a large isotope-labeled background by combining dynamic nuclear polarization (DNP) and the selectivity of protein interactions. Using a biradical-labeled ligand, we were able to direct the hyperpolarization to the protein of interest, maintaining comparable signal enhancement with about 400-fold less radicals than conventionally used. We could selectively filter out our target protein directly from crude cell lysate obtained from only 8 mL of fully isotope-enriched cell culture. Our approach offers effective means to study proteins with atomic resolution in increasingly native concentrations and environments. PMID:27351143

  1. Dynamic Nuclear Polarization Methods in Solids and Solutions to Explore Membrane Proteins and Membrane Systems

    NASA Astrophysics Data System (ADS)

    Cheng, Chi-Yuan; Han, Songi

    2013-04-01

    Membrane proteins regulate vital cellular processes, including signaling, ion transport, and vesicular trafficking. Obtaining experimental access to their structures, conformational fluctuations, orientations, locations, and hydration in membrane environments, as well as the lipid membrane properties, is critical to understanding their functions. Dynamic nuclear polarization (DNP) of frozen solids can dramatically boost the sensitivity of current solid-state nuclear magnetic resonance tools to enhance access to membrane protein structures in native membrane environments. Overhauser DNP in the solution state can map out the local and site-specific hydration dynamics landscape of membrane proteins and lipid membranes, critically complementing the structural and dynamics information obtained by electron paramagnetic resonance spectroscopy. Here, we provide an overview of how DNP methods in solids and solutions can significantly increase our understanding of membrane protein structures, dynamics, functions, and hydration in complex biological membrane environments.

  2. THz-waves channeling in a monolithic saddle-coil for Dynamic Nuclear Polarization enhanced NMR.

    PubMed

    Macor, A; de Rijk, E; Annino, G; Alberti, S; Ansermet, J-Ph

    2011-10-01

    A saddle coil manufactured by electric discharge machining (EDM) from a solid piece of copper has recently been realized at EPFL for Dynamic Nuclear Polarization enhanced Nuclear Magnetic Resonance experiments (DNP-NMR) at 9.4 T. The corresponding electromagnetic behavior of radio-frequency (400 MHz) and THz (263 GHz) waves were studied by numerical simulation in various measurement configurations. Moreover, we present an experimental method by which the results of the THz-wave numerical modeling are validated. On the basis of the good agreement between numerical and experimental results, we conducted by numerical simulation a systematic analysis on the influence of the coil geometry and of the sample properties on the THz-wave field, which is crucial in view of the optimization of DNP-NMR in solids. PMID:21903436

  3. Dynamic nuclear polarization in solid samples by electrical-discharge-induced radicals.

    PubMed

    Katz, Itai; Blank, Aharon

    2015-12-01

    Dynamic nuclear polarization (DNP) is a method for enhancing nuclear magnetic resonance (NMR) signals that has many potential applications in chemistry and medicine. Traditionally, DNP signal enhancement is achieved through the use of exogenous radicals mixed in a solution with the molecules of interest. Here we show that proton DNP signal enhancements can be obtained for solid samples without the use of solvent and exogenous radicals. Radicals are generated primarily on the surface of a solid sample using electrical discharges. These radicals are found suitable for DNP. They are stable under moderate vacuum conditions, yet readily annihilate upon compound dissolution or air exposure. This feature makes them attractive for use in medical applications, where the current variety of radicals used for DNP faces regulatory problems. In addition, this solvent-free method may be found useful for analytical NMR of solid samples which cannot tolerate solvents, such as certain pharmaceutical products. PMID:26547016

  4. THz-waves channeling in a monolithic saddle-coil for Dynamic Nuclear Polarization enhanced NMR

    NASA Astrophysics Data System (ADS)

    Macor, A.; de Rijk, E.; Annino, G.; Alberti, S.; Ansermet, J.-Ph.

    2011-10-01

    A saddle coil manufactured by electric discharge machining (EDM) from a solid piece of copper has recently been realized at EPFL for Dynamic Nuclear Polarization enhanced Nuclear Magnetic Resonance experiments (DNP-NMR) at 9.4 T. The corresponding electromagnetic behavior of radio-frequency (400 MHz) and THz (263 GHz) waves were studied by numerical simulation in various measurement configurations. Moreover, we present an experimental method by which the results of the THz-wave numerical modeling are validated. On the basis of the good agreement between numerical and experimental results, we conducted by numerical simulation a systematic analysis on the influence of the coil geometry and of the sample properties on the THz-wave field, which is crucial in view of the optimization of DNP-NMR in solids.

  5. Dynamical magnetic and nuclear polarization in complex spin systems: semi-magnetic II-VI quantum dots

    NASA Astrophysics Data System (ADS)

    Abolfath, Ramin M.; Trojnar, Anna; Roostaei, Bahman; Brabec, Thomas; Hawrylak, Pawel

    2013-06-01

    Dynamical magnetic and nuclear polarization in complex spin systems is discussed on the example of transfer of spin from exciton to the central spin of magnetic impurity in a quantum dot in the presence of a finite number of nuclear spins. The exciton is described in terms of electron and heavy-hole spins interacting via exchange interaction with magnetic impurity, via hyperfine interaction with a finite number of nuclear spins and via dipole interaction with photons. The time evolution of the exciton, magnetic impurity and nuclear spins is calculated exactly between quantum jumps corresponding to exciton radiative recombination. The collapse of the wavefunction and the refilling of the quantum dot with a new spin-polarized exciton is shown to lead to the build up of magnetization of the magnetic impurity as well as nuclear spin polarization. The competition between electron spin transfer to magnetic impurity and to nuclear spins simultaneous with the creation of dark excitons is elucidated. The technique presented here opens up the possibility of studying optically induced dynamical magnetic and nuclear polarization in complex spin systems.

  6. Overhauser Geomagnetic Sensor Based on the Dynamic Nuclear Polarization Effect for Magnetic Prospecting.

    PubMed

    Ge, Jian; Dong, Haobin; Liu, Huan; Yuan, Zhiwen; Dong, He; Zhao, Zhizhuo; Liu, Yonghua; Zhu, Jun; Zhang, Haiyang

    2016-01-01

    Based on the dynamic nuclear polarization (DNP) effect, an alternative design of an Overhauser geomagnetic sensor is presented that enhances the proton polarization and increases the amplitude of the free induction decay (FID) signal. The short-pulse method is adopted to rotate the enhanced proton magnetization into the plane of precession to create an FID signal. To reduce the negative effect of the powerful electromagnetic interference, the design of the anti-interference of the pick-up coil is studied. Furthermore, the radio frequency polarization method based on the capacitive-loaded coaxial cavity is proposed to improve the quality factor of the resonant circuit. In addition, a special test instrument is designed that enables the simultaneous testing of the classical proton precession and the Overhauser sensor. Overall, comparison experiments with and without the free radical of the Overhauser sensors show that the DNP effect does effectively improve the amplitude and quality of the FID signal, and the magnetic sensitivity, resolution and range reach to 10 pT/Hz 1 / 2 @1 Hz, 0.0023 nT and 20-100 μ T, respectively. PMID:27258283

  7. Overhauser Geomagnetic Sensor Based on the Dynamic Nuclear Polarization Effect for Magnetic Prospecting

    PubMed Central

    Ge, Jian; Dong, Haobin; Liu, Huan; Yuan, Zhiwen; Dong, He; Zhao, Zhizhuo; Liu, Yonghua; Zhu, Jun; Zhang, Haiyang

    2016-01-01

    Based on the dynamic nuclear polarization (DNP) effect, an alternative design of an Overhauser geomagnetic sensor is presented that enhances the proton polarization and increases the amplitude of the free induction decay (FID) signal. The short-pulse method is adopted to rotate the enhanced proton magnetization into the plane of precession to create an FID signal. To reduce the negative effect of the powerful electromagnetic interference, the design of the anti-interference of the pick-up coil is studied. Furthermore, the radio frequency polarization method based on the capacitive-loaded coaxial cavity is proposed to improve the quality factor of the resonant circuit. In addition, a special test instrument is designed that enables the simultaneous testing of the classical proton precession and the Overhauser sensor. Overall, comparison experiments with and without the free radical of the Overhauser sensors show that the DNP effect does effectively improve the amplitude and quality of the FID signal, and the magnetic sensitivity, resolution and range reach to 10 pT/Hz1/2@1 Hz, 0.0023 nT and 20–100 μT, respectively. PMID:27258283

  8. Kinetic Parameters of Photo-Excited Triplet State of Pentacene Determined by Dynamic Nuclear Polarization

    NASA Astrophysics Data System (ADS)

    Kawahara, Tomomi; Sakaguchi, Satoshi; Tateishi, Kenichiro; Tang, Tsz Leung; Uesaka, Tomohiro

    2015-04-01

    The lifetimes and spin-lattice relaxation time of photo-excited triplet electron of pentacene doped in p-terphenyl at room temperature have been investigated. Values of spin-lattice relaxation time previously reported in ESR studies are inconsistent with each other. In this paper, we determined these time constants based on proton signals enhanced by dynamic nuclear polarization using the electrons (Triplet-DNP). The combined analysis of dependences of proton signal intensities on the delay time of polarization transfer and laser pulse structure allows us to disentangle contributions of the lifetimes and spin-lattice relaxation time. The lifetimes of triplet sublevels with ms = 0 and ±1 were determined to be 22.3 and 88 µs, respectively. The spin-lattice relaxation time was found to be longer than 300 µs, hence the time evolution of the electron population in the triplet state is governed by the lifetimes. It was also found that the proton signal enhancement is limited at a high repetition rate by the partial cancellation of the electron spin polarization by the remaining population produced by the preceding laser pulses.

  9. Thermosetting polymer for dynamic nuclear polarization: Solidification of an epoxy resin mixture including TEMPO

    NASA Astrophysics Data System (ADS)

    Noda, Yohei; Kumada, Takayuki; Yamaguchi, Daisuke; Shamoto, Shin-ichi

    2015-03-01

    We investigated the dynamic nuclear polarization (DNP) of typical thermosetting polymers (two-component type epoxy resins; Araldite® Standard or Araldite® Rapid) doped with a (2,2,6,6-tetramethylpiperidine-1-yl)oxy (TEMPO) radical. The doping process was developed by carefully considering the decomposition of TEMPO during the solidification of the epoxy resin. The TEMPO electron spin in each two-component paste decayed slowly, which was favorable for our study. Furthermore, despite the dissolved TEMPO, the mixture of the two-component paste successfully solidified. With the resulting TEMPO-doped epoxy-resin samples, DNP experiments at 1.2 K and 3.35 T indicated a magnitude of a proton-spin polarization up to 39%. This polarization is similar to that (35%) obtained for TEMPO-doped polystyrene (PS), which is often used as a standard sample for DNP. To combine this solidification of TEMPO-including mixture with a resin-casting technique enables a creation of polymeric target materials with a precise and complex structure.

  10. Large molecular weight nitroxide biradicals providing efficient dynamic nuclear polarization at temperatures up to 200 K.

    PubMed

    Zagdoun, Alexandre; Casano, Gilles; Ouari, Olivier; Schwarzwälder, Martin; Rossini, Aaron J; Aussenac, Fabien; Yulikov, Maxim; Jeschke, Gunnar; Copéret, Christophe; Lesage, Anne; Tordo, Paul; Emsley, Lyndon

    2013-08-28

    A series of seven functionalized nitroxide biradicals (the bTbK biradical and six derivatives) are investigated as exogenous polarization sources for dynamic nuclear polarization (DNP) solid-state NMR at 9.4 T and with ca. 100 K sample temperatures. The impact of electron relaxation times on the DNP enhancement (ε) is examined, and we observe that longer inversion recovery and phase memory relaxation times provide larger ε. All radicals are tested in both bulk 1,1,2,2-tetrachloroethane solutions and in mesoporous materials, and the difference in ε between the two cases is discussed. The impact of the sample temperature and magic angle spinning frequency on ε is investigated for several radicals each characterized by a range of electron relaxation times. In particular, TEKPol, a bulky derivative of bTbK with a molecular weight of 905 g·mol(-1), is presented. Its high-saturation factor makes it a very efficient polarizing agent for DNP, yielding unprecedented proton enhancements of over 200 in both bulk and materials samples at 9.4 T and 100 K. TEKPol also yields encouraging enhancements of 33 at 180 K and 12 at 200 K, suggesting that with the continued improvement of radicals large ε may be obtained at higher temperatures. PMID:23961876

  11. Dynamic nuclear polarization and optimal control spatial-selective 13C MRI and MRS

    NASA Astrophysics Data System (ADS)

    Vinding, Mads S.; Laustsen, Christoffer; Maximov, Ivan I.; Søgaard, Lise Vejby; Ardenkjær-Larsen, Jan H.; Nielsen, Niels Chr.

    2013-02-01

    Aimed at 13C metabolic magnetic resonance imaging (MRI) and spectroscopy (MRS) applications, we demonstrate that dynamic nuclear polarization (DNP) may be combined with optimal control 2D spatial selection to simultaneously obtain high sensitivity and well-defined spatial restriction. This is achieved through the development of spatial-selective single-shot spiral-readout MRI and MRS experiments combined with dynamic nuclear polarization hyperpolarized [1-13C]pyruvate on a 4.7 T pre-clinical MR scanner. The method stands out from related techniques by facilitating anatomic shaped region-of-interest (ROI) single metabolite signals available for higher image resolution or single-peak spectra. The 2D spatial-selective rf pulses were designed using a novel Krotov-based optimal control approach capable of iteratively fast providing successful pulse sequences in the absence of qualified initial guesses. The technique may be important for early detection of abnormal metabolism, monitoring disease progression, and drug research.

  12. Milli-tesla NMR and spectrophotometry of liquids hyperpolarized by dissolution dynamic nuclear polarization.

    PubMed

    Zhu, Yue; Chen, Chia-Hsiu; Wilson, Zechariah; Savukov, Igor; Hilty, Christian

    2016-09-01

    Hyperpolarization methods offer a unique means of improving low signal strength obtained in low-field NMR. Here, simultaneous measurements of NMR at a field of 0.7mT and laser optical absorption from samples hyperpolarized by dissolution dynamic nuclear polarization (D-DNP) are reported. The NMR measurement field closely corresponds to a typical field encountered during sample injection in a D-DNP experiment. The optical spectroscopy allows determination of the concentration of the free radical required for DNP. Correlation of radical concentration to NMR measurement of spin polarization and spin-lattice relaxation time allows determination of relaxivity and can be used for optimization of the D-DNP process. Further, the observation of the nuclear Overhauser effect originating from hyperpolarized spins is demonstrated. Signals from (1)H and (19)F in a mixture of trifluoroethanol and water are detected in a single spectrum, while different atoms of the same type are distinguished by J-coupling patterns. The resulting signal changes of individual peaks are indicative of molecular contact, suggesting a new application area of hyperpolarized low-field NMR for the determination of intermolecular interactions. PMID:27423094

  13. Dynamic nuclear polarization at 9T using a novel 250GHz gyrotron microwave source.

    PubMed

    Bajaj, V S; Farrar, C T; Hornstein, M K; Mastovsky, I; Vieregg, J; Bryant, J; Eléna, B; Kreischer, K E; Temkin, R J; Griffin, R G

    2003-02-01

    In this communication, we report enhancements of nuclear spin polarization by dynamic nuclear polarization (DNP) in static and spinning solids at a magnetic field strength of 9T (250 GHz for g=2 electrons, 380 MHz for 1H). In these experiments, 1H enhancements of up to 170+/-50 have been observed in 1-13C-glycine dispersed in a 60:40 glycerol/water matrix at temperatures of 20K; in addition, we have observed significant enhancements in 15N spectra of unoriented pf1-bacteriophage. Finally, enhancements of approximately 17 have been obtained in two-dimensional 13C-13C chemical shift correlation spectra of the amino acid U-13C, 15N-proline during magic angle spinning (MAS), demonstrating the stability of the DNP experiment for sustained acquisition and for quantitative experiments incorporating dipolar recoupling. In all cases, we have exploited the thermal mixing DNP mechanism with the nitroxide radical 4-amino-TEMPO as the paramagnetic dopant. These are the highest frequency DNP experiments performed to date and indicate that significant signal enhancements can be realized using the thermal mixing mechanism even at elevated magnetic fields. In large measure, this is due to the high microwave power output of the 250 GHz gyrotron oscillator used in these experiments. PMID:12615147

  14. Dynamic nuclear polarization at 9T using a novel 250GHz gyrotron microwave source

    PubMed Central

    Bajaj, V.S.; Farrar, C.T.; Hornstein, M.K.; Mastovsky, I.; Vieregg, J.; Bryant, J.; Eléna, B.; Kreischer, K.E.; Temkin, R.J.; Griffin, R.G.

    2010-01-01

    In this communication, we report enhancements of nuclear spin polarization by dynamic nuclear polarization (DNP) in static and spinning solids at a magnetic field strength of 9T (250 GHz for g = 2 electrons, 380 MHz for 1H). In these experiments, 1H enhancements of up to 170 ± 50 have been observed in 1-13C-glycine dispersed in a 60:40 glycerol/water matrix at temperatures of 20 K; in addition, we have observed significant enhancements in 15N spectra of unoriented pf1-bacteriophage. Finally, enhancements of ~17 have been obtained in two-dimensional 13C–13C chemical shift correlation spectra of the amino acid U-13C, 15N-proline during magic angle spinning (MAS), demonstrating the stability of the DNP experiment for sustained acquisition and for quantitative experiments incorporating dipolar recoupling. In all cases, we have exploited the thermal mixing DNP mechanism with the nitroxide radical 4-amino-TEMPO as the paramagnetic dopant. These are the highest frequency DNP experiments performed to date and indicate that significant signal enhancements can be realized using the thermal mixing mechanism even at elevated magnetic fields. In large measure, this is due to the high microwave power output of the 250 GHz gyrotron oscillator used in these experiments. PMID:12615147

  15. Milli-tesla NMR and spectrophotometry of liquids hyperpolarized by dissolution dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Zhu, Yue; Chen, Chia-Hsiu; Wilson, Zechariah; Savukov, Igor; Hilty, Christian

    2016-09-01

    Hyperpolarization methods offer a unique means of improving low signal strength obtained in low-field NMR. Here, simultaneous measurements of NMR at a field of 0.7 mT and laser optical absorption from samples hyperpolarized by dissolution dynamic nuclear polarization (D-DNP) are reported. The NMR measurement field closely corresponds to a typical field encountered during sample injection in a D-DNP experiment. The optical spectroscopy allows determination of the concentration of the free radical required for DNP. Correlation of radical concentration to NMR measurement of spin polarization and spin-lattice relaxation time allows determination of relaxivity and can be used for optimization of the D-DNP process. Further, the observation of the nuclear Overhauser effect originating from hyperpolarized spins is demonstrated. Signals from 1H and 19F in a mixture of trifluoroethanol and water are detected in a single spectrum, while different atoms of the same type are distinguished by J-coupling patterns. The resulting signal changes of individual peaks are indicative of molecular contact, suggesting a new application area of hyperpolarized low-field NMR for the determination of intermolecular interactions.

  16. Seismic risk assessment as applied to the Zion Nuclear Generating Station

    SciTech Connect

    Wells, J.

    1984-08-01

    To assist the US Nuclear Regulatory Commission (NRC) in its licensing and evaluation role, the NRC funded the Seismic Safety Margins Research Program (SSMRP) at Lawrence Livermore National Laboratory (LLNL) with the goal of developing tools and data bases to evaluate the risk of earthquake caused radioactive release from a commercial nuclear power plant. This paper describes the SSMRP risk assessment methodology and the results generated by applying this methodology to the Zion Nuclear Generating Station. In addition to describing the failure probabilities and risk values, the effects of assumptions about plant configuration, plant operation, and dependence will be given.

  17. Observation of strongly forbidden solid effect dynamic nuclear polarization transitions via electron-electron double resonance detected NMR

    SciTech Connect

    Smith, Albert A.; Corzilius, Björn; Haze, Olesya; Swager, Timothy M.; Griffin, Robert G.

    2013-12-07

    We present electron paramagnetic resonance experiments for which solid effect dynamic nuclear polarization transitions were observed indirectly via polarization loss on the electron. This use of indirect observation allows characterization of the dynamic nuclear polarization (DNP) process close to the electron. Frequency profiles of the electron-detected solid effect obtained using trityl radical showed intense saturation of the electron at the usual solid effect condition, which involves a single electron and nucleus. However, higher order solid effect transitions involving two, three, or four nuclei were also observed with surprising intensity, although these transitions did not lead to bulk nuclear polarization—suggesting that higher order transitions are important primarily in the transfer of polarization to nuclei nearby the electron. Similar results were obtained for the SA-BDPA radical where strong electron-nuclear couplings produced splittings in the spectrum of the indirectly observed solid effect conditions. Observation of high order solid effect transitions supports recent studies of the solid effect, and suggests that a multi-spin solid effect mechanism may play a major role in polarization transfer via DNP.

  18. Observation of strongly forbidden solid effect dynamic nuclear polarization transitions via electron-electron double resonance detected NMR

    NASA Astrophysics Data System (ADS)

    Smith, Albert A.; Corzilius, Björn; Haze, Olesya; Swager, Timothy M.; Griffin, Robert G.

    2013-12-01

    We present electron paramagnetic resonance experiments for which solid effect dynamic nuclear polarization transitions were observed indirectly via polarization loss on the electron. This use of indirect observation allows characterization of the dynamic nuclear polarization (DNP) process close to the electron. Frequency profiles of the electron-detected solid effect obtained using trityl radical showed intense saturation of the electron at the usual solid effect condition, which involves a single electron and nucleus. However, higher order solid effect transitions involving two, three, or four nuclei were also observed with surprising intensity, although these transitions did not lead to bulk nuclear polarization—suggesting that higher order transitions are important primarily in the transfer of polarization to nuclei nearby the electron. Similar results were obtained for the SA-BDPA radical where strong electron-nuclear couplings produced splittings in the spectrum of the indirectly observed solid effect conditions. Observation of high order solid effect transitions supports recent studies of the solid effect, and suggests that a multi-spin solid effect mechanism may play a major role in polarization transfer via DNP.

  19. Prospects for Sub-Micron Solid State Nuclear Magnetic Resonance Imaging with Low-Temperature Dynamic Nuclear Polarization

    PubMed Central

    Thurber, Kent R.; Tycko, Robert

    2010-01-01

    Summary We evaluate the feasibility of 1H nuclear magnetic resonance (NMR) imaging with sub-micron voxel dimensions using a combination of low temperatures and dynamic nuclear polarization (DNP). Experiments are performed on nitroxide-doped glycerol/water at 9.4 T and temperatures below 40 K, using a 30 mW tunable microwave source for DNP. With DNP at 7 K, a 0.5 µl sample yields a 1H NMR signal-to-noise ratio of 770 in two scans with pulsed spin-lock detection and after 80 db signal attenuation. With reasonable extrapolations, we infer that 1H NMR signals from 1 µm3 voxel volumes should be readily detectable, and voxels as small as 0.03 µm3 may eventually be detectable. Through homonuclear decoupling with a frequency-switched Lee-Goldburg spin echo technique, we obtain 830 Hz 1H NMR linewidths at low temperatures, implying that pulsed field gradients equal to 0.4 G/d or less would be required during spatial encoding dimensions of an imaging sequence, where d is the resolution in each dimension. PMID:20458431

  20. Polarization of PI3K Activity Initiated by Ooplasmic Segregation Guides Nuclear Migration in the Mesendoderm.

    PubMed

    Takatori, Naohito; Oonuma, Kouhei; Nishida, Hiroki; Saiga, Hidetoshi

    2015-11-01

    Asymmetric localization of RNA is a widely observed mechanism of cell polarization. Using embryos of the ascidian, Halocynthia roretzi, we previously showed that mesoderm and endoderm fates are separated by localization of mRNA encoding a transcription factor, Not, to the future mesoderm-side cytoplasm of the mesendoderm cell through asymmetric positioning of the nucleus. Here, we investigated the mechanism that defines the direction of the nuclear migration. We show that localization of PtdIns(3,4,5)P3 to the future mesoderm region determines the direction of nuclear migration. Localization of PtdIns(3,4,5)P3 was dependent on the localization of PI3Kα to the future mesoderm region. PI3Kα was first localized at the 1-cell stage by the ooplasmic movement. Activity of localized PI3Kα at the 4-cell stage was required for the localization of PI3Kα up to the nuclear migration. Our results provide the scaffold for understanding the chain of causality leading to the separation of germ layer fates. PMID:26555053

  1. The use of dynamic nuclear polarization 13C-pyruvate MRS in cancer

    PubMed Central

    Gutte, Henrik; Hansen, Adam Espe; Johannesen, Helle Hjorth; Clemmensen, Andreas Ettrup; Ardenkjær-Larsen, Jan Henrik; Nielsen, Carsten Haagen; Kjær, Andreas

    2015-01-01

    In recent years there has been an immense development of new targeted anti-cancer drugs. For practicing precision medicine, a sensitive method imaging for non-invasive, assessment of early treatment response and for assisting in developing new drugs is warranted. Magnetic Resonance Spectroscopy (MRS) is a potent technique for non-invasive in vivo investigation of tissue chemistry and cellular metabolism. Hyperpolarization by Dynamic Nuclear Polarization (DNP) is capable of creating solutions of molecules with polarized nuclear spins in a range of biological molecules and has enabled the real-time investigation of in vivo metabolism. The development of this new method has been demonstrated to enhance the nuclear polarization more than 10,000-fold, thereby significantly increasing the sensitivity of the MRS with a spatial resolution to the millimeters and a temporal resolution at the subsecond range. Furthermore, the method enables measuring kinetics of conversion of substrates into cell metabolites and can be integrated with anatomical proton magnetic resonance imaging (MRI). Many nuclei and substrates have been hyperpolarized using the DNP method. Currently, the most widely used compound is 13C-pyruvate due to favoring technicalities. Intravenous injection of the hyperpolarized 13C-pyruvate results in appearance of 13C-lactate, 13C-alanine and 13C-bicarbonate resonance peaks depending on the tissue, disease and the metabolic state probed. In cancer, the lactate level is increased due to increased glycolysis. The use of DNP enhanced 13C-pyruvate has in preclinical studies shown to be a sensitive method for detecting cancer and for assessment of early treatment response in a variety of cancers. Recently, a first-in-man 31-patient study was conducted with the primary objective to assess the safety of hyperpolarized 13C-pyruvate in healthy subjects and prostate cancer patients. The study showed an elevated 13C-lactate/13C-pyruvate ratio in regions of biopsy

  2. Applying programmatic risk assessment to nuclear materials stabilization R and D planning

    SciTech Connect

    Kenley, C.R.; Brown-van Hoozer, S.A.

    1997-10-01

    A systems engineering approach to programmatic risk assessment, derived from the aerospace industry, was applied to various stabilization technologies to assess their relative maturity and availability for use in stabilizing nuclear materials. The assessment provided valuable information for trading off available technologies and identified the at-risk technologies that will require close tracking by the Department of Energy (DOE) to mitigate programmatic risks.

  3. Nuclear Polar VALOR: An ASRG-Enabled Venus Balloon Mission Concept

    NASA Astrophysics Data System (ADS)

    Balint, T. S.; Baines, K. H.

    2008-12-01

    In situ exploration of Venus is expected to answer high priority science questions about the planet's origin, evolution, chemistry, and dynamics as identified in the NRC Decadal Survey and in the VEXAG White Paper. Furthermore, exploration of the polar regions of Venus is key to understanding its climate and global circulation, as well as providing insight into the circulation, chemistry, and climatological processes on Earth. In this paper we discuss our proposed Nuclear Polar VALOR mission, which would target one of the polar regions of Venus, while building on design heritage from the Discovery class VALOR concept, proposed in 2004 and 2006. Riding the strong zonal winds at 55 km altitude and drifting poleward from mid-latitude this balloon-borne aerial science station (aerostat) would circumnavigate the planet multiple times over its one- month operation, extensively investigating polar dynamics, meteorology, and chemistry. Rising and descending over 1 km altitude in planetary waves - similar to the two VEGA balloons in 1985 - onboard instrumentation would accurately and constantly sample and measure other meteorological and chemical parameters, such as atmospheric temperature and pressure, cloud particle sizes and their local column abundances, the vertical wind component, and the chemical composition of cloud-forming trace gases. As well, when viewed with terrestrial radio telescopes on the Earth-facing side of Venus, both zonal and meridional winds would be measured to high accuracy (better than 10 cm/sec averaged over an hour). Due to three factors: the lack of sunlight near the poles; severe limitations on the floating mass-fraction available for a power source; and the science requirements for intensive and continuous measurements of the balloon's environment and movement, a long-duration polar balloon mission would require a long-lived internal power source in a relatively lightweight package. For our concept we assumed an Advanced Stirling Radioisotope

  4. Spin disorder in maghemite nanoparticles investigated using polarized neutrons and nuclear resonant scattering

    NASA Astrophysics Data System (ADS)

    Herlitschke, M.; Disch, S.; Sergueev, I.; Schlage, K.; Wetterskog, E.; Bergström, L.; Hermann, R. P.

    2016-04-01

    The manuscript reports the investigation of spin disorder in maghemite nanoparticles of different shape by a combination of polarized small-angle neutron scattering (SANSPOL) and nuclear forward scattering (NFS) techniques. Both methods are sensitive to magnetization on the nanoscale. SANSPOL allows for investigation of the particle morphology and spatial magnetization distribution and NFS extends this nanoscale information to the atomic scale, namely the orientation of the hyperfine field experienced by the iron nuclei. The studied nanospheres and nanocubes with diameters of 7.4 nm and 10.6 nm, respectively, exhibit a significant spin disorder. This effect leads to a reduction of the magnetization to 44% and 58% of the theoretical maghemite bulk value, observed consistently by both techniques.

  5. Spin disorder in maghemite nanoparticles investigated using polarized neutrons and nuclear resonant scattering

    DOE PAGESBeta

    Herlitschke, Marcus; Disch, Sabrina; Sergueev, I.; Schlage, Kai; Wetterskog, Erik; Bergstrom, Lennart; Hermann, Raphael P.

    2016-01-01

    The manuscript reports the investigation of spin disorder in maghemite nanoparticles of different shape by a combination of polarized small-angle neutron scattering (SANSPOL) and nuclear forward scattering (NFS) techniques. Both methods are sensitive to magnetization on the nanoscale. SANSPOL allows for investigation of the particle morphology and spatial magnetization distribution and NFS extends this nanoscale information to the atomic scale, namely the orientation of the hyperfine field experienced by the iron nuclei. The studied nanospheres and nanocubes with diameters of 7.4nm and 10.6 nm, respectively, exhibit a significant spin disorder. This effect leads to a reduction of the magnetization tomore » 44% and 58% of the theoretical maghemite bulk value, observed consistently by both techniques.« less

  6. H-1 Dynamic Nuclear Polarization in Supercritical Ethylene at 1.4 T

    SciTech Connect

    Wind, Robert A. ); Shi, Bai; Hu, Jian Zhi ); Solum, Mark S.; Ellis, Paul D. ); Grant, David M.; Pugmire, Ronald J.; Taylor, Craig M.; Yonker, Clement R. )

    2000-03-01

    H1 dynamic nuclear polarization (DNP) has been measured in supercritical ethylene in the pressure range 60-300 bar and in an external field of 1.4 T. A single-cell sapphire tube was used as a high pressure cell and powdered 1,3-bisdiphenylene-2-phenyl allyl(BDPA) free radicals were added and distributed at the wall of the cell. At all pressures the dominant DNP effect was a positive Overhauser enhancement, caused by proton-electron contact interactions at the fluid/solid radical interface. The observed enhancements varied from 12 at 67 bar to 17 at 300 bar. Besides the Overhauser enhancement, also a small solid state and thermal mixing enhancement were observed, indicating that part of the ethylene is absorbed at the radical surface for a prolonged time. These data indicate that DNP-enhanced NMR has the potential of extending the impact of NMR in research areas involving supercritical fluids.

  7. Waveguide transition with vacuum window for multiband dynamic nuclear polarization systems

    NASA Astrophysics Data System (ADS)

    Rybalko, Oleksandr; Bowen, Sean; Zhurbenko, Vitaliy; Ardenkjær-Larsen, Jan Henrik

    2016-05-01

    A low loss waveguide transition section and oversized microwave vacuum window covering several frequency bands (94 GHz, 140 GHz, 188 GHz) is presented. The transition is compact and was optimized for multiband Dynamic Nuclear Polarization (DNP) systems in a full-wave simulator. The window is more broadband than commercially available windows, which are usually optimized for single band operation. It is demonstrated that high-density polyethylene with urethane adhesive can be used as a low loss microwave vacuum window in multiband DNP systems. The overall assembly performance and dimensions are found using full-wave simulations. The practical aspects of the window implementation in the waveguide are discussed. To verify the design and simulation results, the window is tested experimentally at the three frequencies of interest.

  8. Spin disorder in maghemite nanoparticles investigated using polarized neutrons and nuclear resonant scattering

    SciTech Connect

    Herlitschke, Marcus; Disch, Sabrina; Sergueev, I.; Schlage, Kai; Wetterskog, Erik; Bergstrom, Lennart; Hermann, Raphael P.

    2016-01-01

    The manuscript reports the investigation of spin disorder in maghemite nanoparticles of different shape by a combination of polarized small-angle neutron scattering (SANSPOL) and nuclear forward scattering (NFS) techniques. Both methods are sensitive to magnetization on the nanoscale. SANSPOL allows for investigation of the particle morphology and spatial magnetization distribution and NFS extends this nanoscale information to the atomic scale, namely the orientation of the hyperfine field experienced by the iron nuclei. The studied nanospheres and nanocubes with diameters of 7.4nm and 10.6 nm, respectively, exhibit a significant spin disorder. This effect leads to a reduction of the magnetization to 44% and 58% of the theoretical maghemite bulk value, observed consistently by both techniques.

  9. Waveguide transition with vacuum window for multiband dynamic nuclear polarization systems.

    PubMed

    Rybalko, Oleksandr; Bowen, Sean; Zhurbenko, Vitaliy; Ardenkjær-Larsen, Jan Henrik

    2016-05-01

    A low loss waveguide transition section and oversized microwave vacuum window covering several frequency bands (94 GHz, 140 GHz, 188 GHz) is presented. The transition is compact and was optimized for multiband Dynamic Nuclear Polarization (DNP) systems in a full-wave simulator. The window is more broadband than commercially available windows, which are usually optimized for single band operation. It is demonstrated that high-density polyethylene with urethane adhesive can be used as a low loss microwave vacuum window in multiband DNP systems. The overall assembly performance and dimensions are found using full-wave simulations. The practical aspects of the window implementation in the waveguide are discussed. To verify the design and simulation results, the window is tested experimentally at the three frequencies of interest. PMID:27250449

  10. Surface Binding of TOTAPOL Assists Structural Investigations of Amyloid Fibrils by Dynamic Nuclear Polarization NMR Spectroscopy.

    PubMed

    Nagaraj, Madhu; Franks, Trent W; Saeidpour, Siavash; Schubeis, Tobias; Oschkinat, Hartmut; Ritter, Christiane; van Rossum, Barth-Jan

    2016-07-15

    Dynamic nuclear polarization (DNP) NMR can enhance sensitivity but often comes at the price of a substantial loss of resolution. Two major factors affect spectral quality: low-temperature heterogeneous line broadening and paramagnetic relaxation enhancement (PRE) effects. Investigations by NMR spectroscopy, isothermal titration calorimetry (ITC), and EPR revealed a new substantial affinity of TOTAPOL to amyloid surfaces, very similar to that shown by the fluorescent dye thioflavin-T (ThT). As a consequence, DNP spectra with remarkably good resolution and still reasonable enhancement could be obtained at very low TOTAPOL concentrations, typically 400 times lower than commonly employed. These spectra yielded several long-range constraints that were difficult to obtain without DNP. Our findings open up new strategies for structural studies with DNP NMR spectroscopy on amyloids that can bind the biradical with affinity similar to that shown towards ThT. PMID:27147408

  11. A Novel Variable Field System for Field-Cycled Dynamic Nuclear Polarization Spectroscopy

    PubMed Central

    Shet, Keerthi; Caia, George L.; Kesselring, Eric; Samouilov, Alexandre; Petryakov, Sergey; Lurie, David J.; Zweier, Jay L.

    2014-01-01

    Dynamic nuclear polarization (DNP) is an NMR-based technique which enables detection and spectral characterization of endogenous and exogenous paramagnetic substances measured via transfer of polarization from the saturated unpaired electron spin system to the NMR active nuclei. A variable field system capable of performing DNP spectroscopy with NMR detection at any magnetic field in the range 0 - 0.38 T is described. The system is built around a clinical open-MRI system. To obtain EPR spectra via DNP, partial cancellation of the detection field B0NMR is required to alter the evolution field B0EPR at which the EPR excitation is achieved. The addition of resistive actively shielded field cancellation coils in the gap of the primary magnet provides this field offset in the range of 0–100 mT. A description of the primary magnet, cancellation coils, power supplies, interfacing hardware, RF electronics and console are included. Performance of the instrument has been evaluated by acquiring DNP spectra of phantoms with aqueous nitroxide solutions (TEMPOL) at three NMR detection fields of 97 G, 200 G and 587 G corresponding to 413 kHz, 851.6 kHz and 2.5 MHz respectively and fixed EPR evolution field of 100 G corresponding to an irradiation frequency of 282.3 MHz. This variable field DNP system offers great flexibility for the performance of DNP spectroscopy with independent optimum choice of EPR excitation and NMR detection fields. PMID:20570197

  12. Solid-State NMR/Dynamic Nuclear Polarization of Polypeptides in Planar Supported Lipid Bilayers.

    PubMed

    Salnikov, Evgeniy S; Sarrouj, Hiba; Reiter, Christian; Aisenbrey, Christopher; Purea, Armin; Aussenac, Fabien; Ouari, Olivier; Tordo, Paul; Fedotenko, Illya; Engelke, Frank; Bechinger, Burkhard

    2015-11-19

    Dynamic nuclear polarization has been developed to overcome the limitations of the inherently low signal intensity of NMR spectroscopy. This technique promises to be particularly useful for solid-state NMR spectroscopy where the signals are broadened over a larger frequency range and most investigations rely on recording low gamma nuclei. To extend the range of possible investigations, a triple-resonance flat-coil solid-state NMR probe is presented with microwave irradiation capacities allowing the investigation of static samples at temperatures of 100 K, including supported lipid bilayers. The probe performance allows for two-dimensional separated local field experiments with high-power Lee-Goldberg decoupling and cross-polarization under simultaneous irradiation from a gyrotron microwave generator. Efficient cooling of the sample turned out to be essential for best enhancements and line shape and necessitated the development of a dedicated cooling chamber. Furthermore, a new membrane-anchored biradical is presented, and the geometry of supported membranes was optimized not only for good membrane alignment, handling, stability, and filling factor of the coil but also for heat and microwave dissipation. Enhancement factors of 17-fold were obtained, and a two-dimensional PISEMA spectrum of a transmembrane helical peptide was obtained in less than 2 h. PMID:26487390

  13. Dynamic nuclear polarization-enhanced solid-state NMR spectroscopy of GNNQQNY nanocrystals and amyloid fibrils

    PubMed Central

    Debelouchina, Galia T.; Bayro, Marvin J.; van der Wel, Patrick C. A.; Caporini, Marc A.; Barnes, Alexander B.; Rosay, Melanie; Maas, Werner E.; Griffin, Robert G.

    2015-01-01

    Dynamic nuclear polarization (DNP) utilizes the inherently larger polarization of electrons to enhance the sensitivity of conventional solid-state NMR experiments at low temperature. Recent advances in instrumentation development and sample preparation have transformed this field and have opened up new opportunities for its application to biological systems. Here, we present DNP-enhanced 13C–13C and 15N–13C correlation experiments on GNNQQNY nanocrystals and amyloid fibrils acquired at 9.4 T and 100 K and demonstrate that DNP can be used to obtain assignments and site-specific structural information very efficiently. We investigate the influence of temperature on the resolution, molecular conformation, structural integrity and dynamics in these two systems. In addition, we assess the low-temperature performance of two commonly used solid-state NMR experiments, proton-driven spin diffusion (PDSD) and transferred echo double resonance (TEDOR), and discuss their potential as tools for measurement of structurally relevant distances at low temperature in combination with DNP. PMID:20454733

  14. An Alderman-Grant resonator for S-Band Dynamic Nuclear Polarization

    NASA Astrophysics Data System (ADS)

    Neudert, Oliver; Raich, Hans-Peter; Mattea, Carlos; Stapf, Siegfried; Münnemann, Kerstin

    2014-05-01

    An Alderman-Grant resonator with resonance at 2 GHz (S-Band) was simulated, developed and constructed for Dynamic Nuclear Polarization (DNP) experiments at 73 mT. The resonator fits into magnet bores with a minimum diameter of 20 mm and is compatible with standard 3 mm NMR tubes. The compact resonator design achieves good separation of electric and magnetic fields and therefore can be used with comparatively large sample volumes with only small sample heating effects comparable to those obtained with optimized X- and W-Band DNP setups. The saturation efficiency and sample heating effects were investigated for Overhauser DNP experiments of aqueous solutions of TEMPOL radical, showing relative saturation better than 0.9 and sample heating not exceeding a few Kelvin even at high microwave power and long irradiation time. An application is demonstrated, combining the DNP setup with a commercial fast field cycling NMR relaxometer. Using this resonator design at low microwave frequencies can provide DNP polarization for a class of low-field and time-domain NMR experiments and therefore may enable new applications that benefit from increased sensitivity.

  15. Inductively coupled NMR probe for versatile dynamic nuclear polarization operation at 7 T: Observation of 61 ± 2% 1H polarization at 4 K

    NASA Astrophysics Data System (ADS)

    Siaw, Ting Ann; Walker, Shamon A.; Armstrong, Brandon D.; Han, Song-I.

    2012-08-01

    We have performed dynamic nuclear polarization (DNP) experiments at liquid helium temperatures using a low-power (<70 mW) solid-state diode microwave source at 200 GHz—the electron paramagnetic resonance frequency of stable radicals at 7 T. We employed a home-built Alderman-Grant probe for the detection of 1H NMR signal at 300 MHz, as such coils are well suited for higher frequency NMR detection. The Alderman-Grant coil is inductively coupled to the rest of the radiofrequency (rf) circuit, whose design allows probe components to be placed away from the sample area, and also enables easy switching of coils with different diameters and resonance frequencies. We have tested our DNP instrument on a frozen nitroxide model system consisting of 4-Amino TEMPO dissolved in a glycerol:water mixture. The largest nuclear spin polarization observed was 61 ± 2% with a sample containing 20 mM 4-Amino TEMPO dissolved in deuterated glycerol (d-glycerol):D2O:H2O (50:40:10), amounting to record polarization measured to date at an easily amenable temperature of 4 K.

  16. Polar studies of the sphericity degree of V/HTR nuclear fuel particles

    SciTech Connect

    Robert-Inacio, F. . E-mail: frederique.robert@isen.fr; Boschet, C.; Charollais, F.

    2006-06-15

    Advanced nuclear power reactor designs such as (Very) High Temperature Reactors (V/HTR) employ TRISO fuel particles that typically have a sub-millimetre U-based fuel kernel coated with three isotropic ceramic layers-a layer of silicon carbide sandwiched between pyrocarbon layers of different density. Evaluation of the ceramic layer thickness and of the degree of sphericity of these typical nuclear fuel particles is required at each step of the fabrication, in order to estimate future fuel performance under irradiation conditions. This study is based on the image processing of polished cross-sections, realized near the equatorial plane. From these 2D images, some measurements are carried out, giving an estimation of the diameter values for a sample of particles at each step of the coating process. These values are then statistically extended to the third dimension in order to obtain the thickness of each layer and the degree of sphericity of each particle. A representation of diameter and layer thickness in polar coordinates enables one to identify steps for which the coating process is defective or deviating from nominal objectives.

  17. The effect of motion on dynamic nuclear polarization: A new theoretical development

    SciTech Connect

    Coffino, A.R.

    1989-01-01

    Dynamic Nuclear Polarization (DNP) is a magnetic resonance technique which uses two different radiation sources: a radiofrequency field and microwave field to radiate nuclei and electrons, respectively. The DNP experiment probes the nature of the interaction between nuclei and electrons. The maximum of the resonance signal from the nucleus is plotted as a function of microwave frequency for the case of the microwaves on and off. The DNP signal is the ratio of these two signals and is termed the enhancement of the nuclear signal. This thesis considers the theory of the DNP signal based on the density matrix formulation of the Stochastic Liouville Equation, which incorporates the spin-spin interactions, spin-field interactions and a stochastic dynamics process which modulates these interactions. The case of one electron coupled to one spin one-half nucleus is considered. Such a formulation has never been developed. The thesis demonstrates that previous partial theories have attempted to incorporate dynamics have been incorrect. This theoretical development demonstrates, for the first time, how dynamics affects the DNP lineshapes. This theory predicts that DNP spectra change smoothly from the no motion to the fast motion region, and reproduces the known analytic answers in both the no-motion and the fast-motion limit. The most important observation of the results is that a DNP signal for a motional rate in the intermediate motional region looks like a superposition of a no-motion and fast-motion signal.

  18. Dissolution Dynamic Nuclear Polarization Instrumentation for Real-time Enzymatic Reaction Rate Measurements by NMR.

    PubMed

    Balzan, Riccardo; Fernandes, Laetitia; Comment, Arnaud; Pidial, Laetitia; Tavitian, Bertrand; Vasos, Paul R

    2016-01-01

    The main limitation of NMR-based investigations is low sensitivity. This prompts for long acquisition times, thus preventing real-time NMR measurements of metabolic transformations. Hyperpolarization via dissolution DNP circumvents part of the sensitivity issues thanks to the large out-of-equilibrium nuclear magnetization stemming from the electron-to-nucleus spin polarization transfer. The high NMR signal obtained can be used to monitor chemical reactions in real time. The downside of hyperpolarized NMR resides in the limited time window available for signal acquisition, which is usually on the order of the nuclear spin longitudinal relaxation time constant, T1, or, in favorable cases, on the order of the relaxation time constant associated with the singlet-state of coupled nuclei, TLLS. Cellular uptake of endogenous molecules and metabolic rates can provide essential information on tumor development and drug response. Numerous previous hyperpolarized NMR studies have demonstrated the relevancy of pyruvate as a metabolic substrate for monitoring enzymatic activity in vivo. This work provides a detailed description of the experimental setup and methods required for the study of enzymatic reactions, in particular the pyruvate-to-lactate conversion rate in presence of lactate dehydrogenase (LDH), by hyperpolarized NMR. PMID:26967906

  19. Operational Characteristics of a 14-W 140-GHz Gyrotron for Dynamic Nuclear Polarization

    PubMed Central

    Joye, Colin D.; Griffin, Robert G.; Hornstein, Melissa K.; Hu, Kan-Nian; Kreischer, Kenneth E.; Rosay, Melanie; Shapiro, Michael A.; Sirigiri, Jagadishwar R.; Temkin, Richard J.; Woskov, Paul P.

    2006-01-01

    The operating characteristics of a 140-GHz 14-W long pulse gyrotron are presented. The device is being used in dynamic nuclear polarization enhanced nuclear magnetic resonance (DNP/NMR) spectroscopy experiments. The gyrotron yields 14 W peak power at 139.65 GHz from the TE(0,3) operating mode using a 12.3-kV 25-mA electron beam. Additionally, up to 12 W peak has been observed in the TE(2,3) mode at 136.90 GHz. A series of mode converters transform the TE(0,3) operating mode to the TE(1,1) mode. Experimental results are compared with nonlinear simulations and show reasonable agreement. The millimeter-wave output beam was imaged in a single shot using a pyroelectric camera. The mode patterns matched reasonably well to theory for both the TE(0,1) mode and the TE(1,1) mode. Repeatable mode patterns were obtained at intervals ranging from 0.8 s apart to 11 min apart at the output of the final mode converter. PMID:17431442

  20. Operational Characteristics of a 14-W 140-GHz Gyrotron for Dynamic Nuclear Polarization.

    PubMed

    Joye, Colin D; Griffin, Robert G; Hornstein, Melissa K; Hu, Kan-Nian; Kreischer, Kenneth E; Rosay, Melanie; Shapiro, Michael A; Sirigiri, Jagadishwar R; Temkin, Richard J; Woskov, Paul P

    2006-06-01

    The operating characteristics of a 140-GHz 14-W long pulse gyrotron are presented. The device is being used in dynamic nuclear polarization enhanced nuclear magnetic resonance (DNP/NMR) spectroscopy experiments. The gyrotron yields 14 W peak power at 139.65 GHz from the TE(0,3) operating mode using a 12.3-kV 25-mA electron beam. Additionally, up to 12 W peak has been observed in the TE(2,3) mode at 136.90 GHz. A series of mode converters transform the TE(0,3) operating mode to the TE(1,1) mode. Experimental results are compared with nonlinear simulations and show reasonable agreement. The millimeter-wave output beam was imaged in a single shot using a pyroelectric camera. The mode patterns matched reasonably well to theory for both the TE(0,1) mode and the TE(1,1) mode. Repeatable mode patterns were obtained at intervals ranging from 0.8 s apart to 11 min apart at the output of the final mode converter. PMID:17431442

  1. In situ temperature jump high-frequency dynamic nuclear polarization experiments: enhanced sensitivity in liquid-state NMR spectroscopy.

    PubMed

    Joo, Chan-Gyu; Hu, Kan-Nian; Bryant, Jeffrey A; Griffin, Robert G

    2006-07-26

    We describe an experiment, in situ temperature jump dynamic nuclear polarization (TJ-DNP), that is demonstrated to enhance sensitivity in liquid-state NMR experiments of low-gamma spins--13C, 15N, etc. The approach consists of polarizing a sample at low temperature using high-frequency (140 GHz) microwaves and a biradical polarizing agent and then melting it rapidly with a pulse of 10.6 microm infrared radiation, followed by observation of the NMR signal in the presence of decoupling. In the absence of polarization losses due to relaxation, the enhancement should be epsilon+ = epsilon(T(obs)/T(mu)(wave)), where epsilon+ is the observed enhancement, epsilon is the enhancement obtained at the temperature where the polarization process occurs, and T(mu)(wave) and T(obs) are the polarization and observation temperatures, respectively. In a single experimental cycle, we observe room-temperature enhancements, epsilon(dagger), of 13C signals in the range 120-400 when using a 140 GHz gyrotron microwave source, T(mu)(wave) = 90 K, and T(obs) = 300 K. In addition, we demonstrate that the experiment can be recycled to perform signal averaging that is customary in contemporary NMR spectroscopy. Presently, the experiment is applicable to samples that can be repeatedly frozen and thawed. TJ-DNP could also serve as the initial polarization step in experiments designed for rapid acquisition of multidimensional spectra. PMID:16848479

  2. Neutron Transfer Reactions: Surrogates for Neutron Capture for Basic and Applied Nuclear Science

    SciTech Connect

    Cizewski, J. A.; Peters, W. A.; Allen, J.; Hatarik, R.; Matthews, C.; O'Malley, P.; Jones, K. L.; Kozub, R. L.; Howard, J.; Patterson, N.; Paulauskas, S. V.; Rogers, J.; Sissom, D. J.; Pain, S. D.; Adekola, A.; Bardayan, D. W.; Blackmon, J. C.; Liang, F.; Nesaraja, C. D.; Pittman, S. T.

    2009-03-10

    Neutron capture reactions on unstable nuclei are important for both basic and applied nuclear science. A program has been developed at the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory to study single-neutron transfer (d,p) reactions with rare isotope beams to provide information on neutron-induced reactions on unstable nuclei. Results from (d,p) studies on {sup 130,132}Sn, {sup 134}Te and {sup 75}As are discussed.

  3. Neutron transfer reactions: Surrogates for neutron capture for basic and applied nuclear science

    SciTech Connect

    Cizewski, J. A.; Jones, K. L.; Kozub, R. L.; Pain, Steven D; Peters, W. A.; Adekola, Aderemi S; Allen, J.; Bardayan, Daniel W; Becker, J.; Blackmon, Jeff C; Chae, K. Y.; Chipps, K.; Erikson, Luke; Gaddis, A. L.; Harlin, Christopher W; Hatarik, Robert; Howard, Joshua A; Jandel, M.; Johnson, Micah; Kapler, R.; Krolas, W.; Liang, J Felix; Livesay, Jake; Ma, Zhanwen; Matei, Catalin; Matthews, C.; Moazen, Brian; Nesaraja, Caroline D; O'Malley, Patrick; Patterson, N. P.; Paulauskas, Stanley; Pelham, T.; Pittman, S. T.; Radford, David C; Rogers, J.; Schmitt, Kyle; Shapira, Dan; ShrinerJr., J. F.; Sissom, D. J.; Smith, Michael Scott; Swan, T. P.; Thomas, J. S.; Vieira, D. J.; Wilhelmy, J. B.; Wilson, Gemma L

    2009-04-01

    Neutron capture reactions on unstable nuclei are important for both basic and applied nuclear science. A program has been developed at the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory to study single-neutron transfer (d,p) reactions with rare isotope beams to provide information on neutron-induced reactions on unstable nuclei. Results from (d,p) studies on {sup 130,132}Sn, {sup 134}Te and {sup 75}As are discussed.

  4. Optical detection of anisotropic g-factor and nuclear spin polarization in a single CdTe quantum well

    NASA Astrophysics Data System (ADS)

    Yan, Li-Ping; Kurosawa, Masahiro; Hsu, Wei-Ting; Chang, Wen-Hao; Adachi, Satoru

    2015-03-01

    Longitudinal and in-plane electron g-factors, and a nuclear spin polarization (NSP) have been evaluated precisely in a CdTe/Cd0.85Mg0.15Te single quantum well by using the time-resolved Kerr rotation and double lock-in detection techniques. Resident electron spin polarization (RESP) was formed via the negative trion formation and recombination, and RESP gave rise to NSP in an oblique magnetic field configuration. We observed the effective nuclear field of a few mT which was weak compared with that in III-V semiconductor nanostructures as expected, but the nuclear field can be converted to the maximal NSP of 12% in Faraday geometry.

  5. Microwave field distribution in a magic angle spinning dynamic nuclear polarization NMR probe

    NASA Astrophysics Data System (ADS)

    Nanni, Emilio A.; Barnes, Alexander B.; Matsuki, Yoh; Woskov, Paul P.; Corzilius, Björn; Griffin, Robert G.; Temkin, Richard J.

    2011-05-01

    We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B 1 S) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4 mm diameter sapphire rotor containing the sample. The predicted average B 1 S field is 13 μT/W 1/2, where S denotes the electron spin. For a routinely achievable input power of 5 W the corresponding value is γSB 1 S = 0.84 MHz. The calculations provide insights into the coupling of the microwave power to the sample, including reflections from the RF coil and diffraction of the power transmitted through the coil. The variation of enhancement with rotor wall thickness was also successfully simulated. A second, simplified calculation was performed using a single pass model based on Gaussian beam propagation and Fresnel diffraction. This model provided additional physical insight and was in good agreement with the full HFSS simulation. These calculations indicate approaches to increasing the coupling of the microwave power to the sample, including the use of a converging lens and fine adjustment of the spacing of the windings of the RF coil. The present results should prove useful in optimizing the coupling of microwave power to the sample in future DNP experiments. Finally, the results of the simulation were used to predict the cross effect DNP enhancement ( ɛ) vs. ω1 S/(2 π) for a sample of 13C-urea dissolved in a 60:40 glycerol/water mixture containing the polarizing agent TOTAPOL; very good agreement was obtained between theory and experiment.

  6. Microwave field distribution in a magic angle spinning dynamic nuclear polarization NMR probe.

    PubMed

    Nanni, Emilio A; Barnes, Alexander B; Matsuki, Yoh; Woskov, Paul P; Corzilius, Björn; Griffin, Robert G; Temkin, Richard J

    2011-05-01

    We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B(1S)) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4mm diameter sapphire rotor containing the sample. The predicted average B(1S) field is 13μT/W(1/2), where S denotes the electron spin. For a routinely achievable input power of 5W the corresponding value is γ(S)B(1S)=0.84MHz. The calculations provide insights into the coupling of the microwave power to the sample, including reflections from the RF coil and diffraction of the power transmitted through the coil. The variation of enhancement with rotor wall thickness was also successfully simulated. A second, simplified calculation was performed using a single pass model based on Gaussian beam propagation and Fresnel diffraction. This model provided additional physical insight and was in good agreement with the full HFSS simulation. These calculations indicate approaches to increasing the coupling of the microwave power to the sample, including the use of a converging lens and fine adjustment of the spacing of the windings of the RF coil. The present results should prove useful in optimizing the coupling of microwave power to the sample in future DNP experiments. Finally, the results of the simulation were used to predict the cross effect DNP enhancement (ϵ) vs. ω(1S)/(2π) for a sample of (13)C-urea dissolved in a 60:40 glycerol/water mixture containing the polarizing agent TOTAPOL; very good agreement was obtained between theory and experiment. PMID:21382733

  7. Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids

    PubMed Central

    Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert

    2013-01-01

    We explore the possibility of using dynamic nuclear polarization (DNP) to enhance signals in structural studies of biological solids by solid state NMR without sample spinning. Specifically, we use 2D 13C-13C exchange spectroscopy to probe the peptide backbone torsion angles (ϕ,ψ) in a series of selectively 13C-labeled 40-residue β-amyloid (Aβ1–40) samples, in both fibrillar and non-fibrillar states. Experiments are carried out at 9.39 T and 8 K, using a static double-resonance NMR probe and low-power microwave irradiation at 264 GHz. In frozen solutions of Aβ1–40 fibrils doped with DOTOPA-TEMPO, we observe DNP signal enhancement factors of 16–21. We show that the orientation- and frequency-dependent spin polarization exchange between sequential backbone carbonyl 13C labels can be simulated accurately using a simple expression for the exchange rate, after experimentally determined homogeneous 13C lineshapes are incorporated in the simulations. The experimental 2D 13C-13C exchange spectra place constraints on the ϕ and ψ angles between the two carbonyl labels. Although the data are not sufficient to determine ϕ and ψ uniquely, the data do provide non-trivial constraints that could be included in structure calculations. With DNP at low temperatures, 2D 13C-13C exchange spectra can be obtained from a 3.5 mg sample of Aβ1–40 fibrils in 4 hr or less, despite the broad 13C chemical shift anisotropy line shapes that are observed in static samples. PMID:23562665

  8. Microwave Field Distribution in a Magic Angle Spinning Dynamic Nuclear Polarization NMR Probe

    PubMed Central

    Nanni, Emilio A.; Barnes, Alexander B.; Matsuki, Yoh; Woskov, Paul P.; Corzilius, Björn; Griffin, Robert G.; Temkin, Richard J.

    2011-01-01

    We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B1S) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4 mm diameter sapphire rotor containing the sample. The predicted average B1S field is 13µT/W1/2, where S denotes the electron spin. For a routinely achievable input power of 5 W the corresponding value is γ SB1S = 0.84 MHz. The calculations provide insights into the coupling of the microwave power to the sample, including reflections from the RF coil and diffraction of the power transmitted through the coil. The variation of enhancement with rotor wall thickness was also successfully simulated. A second, simplified calculation was performed using a single pass model based on Gaussian beam propagation and Fresnel diffraction. This model provided additional physical insight and was in good agreement with the full HFSS simulation. These calculations indicate approaches to increasing the coupling of the microwave power to the sample, including the use of a converging lens and fine adjustment of the spacing of the windings of the RF coil. The present results should prove useful in optimizing the coupling of microwave power to the sample in future DNP experiments. Finally, the results of the simulation were used to predict the cross effect DNP enhancement (ε) vs. ω1S/(2π) for a sample of 13C-urea dissolved in a 60:40 glycerol/water mixture containing the polarizing agent TOTAPOL; very good agreement was obtained between theory and experiment. PMID:21382733

  9. Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids

    NASA Astrophysics Data System (ADS)

    Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert

    2013-06-01

    We explore the possibility of using dynamic nuclear polarization (DNP) to enhance signals in structural studies of biological solids by solid state NMR without sample spinning. Specifically, we use 2D 13C-13C exchange spectroscopy to probe the peptide backbone torsion angles (ϕ, ψ) in a series of selectively 13C-labeled 40-residue β-amyloid (Aβ1-40) samples, in both fibrillar and non-fibrillar states. Experiments are carried out at 9.39 T and 8 K, using a static double-resonance NMR probe and low-power microwave irradiation at 264 GHz. In frozen solutions of Aβ1-40 fibrils doped with DOTOPA-TEMPO, we observe DNP signal enhancement factors of 16-21. We show that the orientation- and frequency-dependent spin polarization exchange between sequential backbone carbonyl 13C labels can be simulated accurately using a simple expression for the exchange rate, after experimentally determined homogeneous 13C lineshapes are incorporated in the simulations. The experimental 2D 13C-13C exchange spectra place constraints on the ϕ and ψ angles between the two carbonyl labels. Although the data are not sufficient to determine ϕ and ψ uniquely, the data do provide non-trivial constraints that could be included in structure calculations. With DNP at low temperatures, 2D 13C-13C exchange spectra can be obtained from a 3.5 mg sample of Aβ1-40 fibrils in 4 h or less, despite the broad 13C chemical shift anisotropy line shapes that are observed in static samples.

  10. On The Potential of Dynamic Nuclear Polarization Enhanced Diamonds in Solid-State and Dissolution (13) C NMR Spectroscopy.

    PubMed

    Bretschneider, Christian O; Akbey, Ümit; Aussenac, Fabien; Olsen, Greg L; Feintuch, Akiva; Oschkinat, Hartmut; Frydman, Lucio

    2016-09-01

    Dynamic nuclear polarization (DNP) is a versatile option to improve the sensitivity of NMR and MRI. This versatility has elicited interest for overcoming potential limitations of these techniques, including the achievement of solid-state polarization enhancement at ambient conditions, and the maximization of (13) C signal lifetimes for performing in vivo MRI scans. This study explores whether diamond's (13) C behavior in nano- and micro-particles could be used to achieve these ends. The characteristics of diamond's DNP enhancement were analyzed for different magnetic fields, grain sizes, and sample environments ranging from cryogenic to ambient temperatures, in both solution and solid-state experiments. It was found that (13) C NMR signals could be boosted by orders of magnitude in either low- or room-temperature solid-state DNP experiments by utilizing naturally occurring paramagnetic P1 substitutional nitrogen defects. We attribute this behavior to the unusually long electronic/nuclear spin-lattice relaxation times characteristic of diamond, coupled with a time-independent cross-effect-like polarization transfer mechanism facilitated by a matching of the nitrogen-related hyperfine coupling and the (13) C Zeeman splitting. The efficiency of this solid-state polarization process, however, is harder to exploit in dissolution DNP-enhanced MRI contexts. The prospects for utilizing polarized diamond approaching nanoscale dimensions for both solid and solution applications are briefly discussed. PMID:27416769

  11. Integrated Geophysical Measurements for Bioremediation Monitoring: Combining Spectral Induced Polarization, Nuclear Magnetic Resonance and Magnetic Methods

    SciTech Connect

    Keating, Kristina; Slater, Lee; Ntarlagiannis, Dimitris; Williams, Kenneth H.

    2015-02-24

    This documents contains the final report for the project "Integrated Geophysical Measurements for Bioremediation Monitoring: Combining Spectral Induced Polarization, Nuclear Magnetic Resonance and Magnetic Methods" (DE-SC0007049) Executive Summary: Our research aimed to develop borehole measurement techniques capable of monitoring subsurface processes, such as changes in pore geometry and iron/sulfur geochemistry, associated with remediation of heavy metals and radionuclides. Previous work has demonstrated that geophysical method spectral induced polarization (SIP) can be used to assess subsurface contaminant remediation; however, SIP signals can be generated from multiple sources limiting their interpretation value. Integrating multiple geophysical methods, such as nuclear magnetic resonance (NMR) and magnetic susceptibility (MS), with SIP, could reduce the ambiguity of interpretation that might result from a single method. Our research efforts entails combining measurements from these methods, each sensitive to different mineral forms and/or mineral-fluid interfaces, providing better constraints on changes in subsurface biogeochemical processes and pore geometries significantly improving our understanding of processes impacting contaminant remediation. The Rifle Integrated Field Research Challenge (IFRC) site was used as a test location for our measurements. The Rifle IFRC site is located at a former uranium ore-processing facility in Rifle, Colorado. Leachate from spent mill tailings has resulted in residual uranium contamination of both groundwater and sediments within the local aquifer. Studies at the site include an ongoing acetate amendment strategy, native microbial populations are stimulated by introduction of carbon intended to alter redox conditions and immobilize uranium. To test the geophysical methods in the field, NMR and MS logging measurements were collected before, during, and after acetate amendment. Next, laboratory NMR, MS, and SIP measurements

  12. Development and performance of a 129-GHz dynamic nuclear polarizer in an ultra-wide bore superconducting magnet

    PubMed Central

    Lumata, Lloyd L.; Martin, Richard; Jindal, Ashish K.; Kovacs, Zoltan; Conradi, Mark S.

    2014-01-01

    Objective We sought to build a dynamic nuclear polarization system for operation at 4.6 T (129 GHz) and evaluate its efficiency in terms of 13C polarization levels using free radicals that span a range of ESR linewidths. Materials and methods A liquid helium cryostat was placed in a 4.6 T superconducting magnet with a 150-mm warm bore diameter. A 129-GHz microwave source was used to irradiate 13C enriched samples. Temperatures close to 1 K were achieved using a vacuum pump with a 453-m3/h roots blower. A hyperpolarized 13C nuclear magnetic resonance (NMR) signal was detected using a saddle coil and a Varian VNMRS console operating at 49.208 MHz. Samples doped with free radicals BDPA (1,3-bisdipheny-lene-2-phenylallyl), trityl OX063 (tris{8-carboxyl-2,2,6,6-benzo(1,2-d:4,5-d)-bis(1,3)dithiole-4-yl}methyl sodium salt), galvinoxyl ((2,6-di-tert-butyl-α-(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-p-tolyloxy), 2,2-diphenylpicrylhydrazyl (DPPH) and 4-oxo-TEMPO (4-Oxo-2,2,6,6-tetramethyl-1-piperidinyloxy) were assayed. Microwave dynamic nuclear polarization (DNP) spectra and solid-state 13C polarization levels for these samples were determined. Results 13C polarization levels close to 50 % were achieved for [1-13C]pyruvic acid at 1.15 K using the narrow electron spin resonance (ESR) linewidth free radicals trityl OX063 and BDPA, while 10–20 % 13C polarizations were achieved using galvinoxyl, DPPH and 4-oxo-TEMPO. Conclusion At this field strength free radicals with smaller ESR linewidths are still superior for DNP of 13C as opposed to those with linewidths that exceed that of the 1H Larmor frequency. PMID:25120071

  13. A Spectrometer for Dynamic Nuclear Polarization and Electron Paramagnetic Resonance at High Frequencies

    NASA Astrophysics Data System (ADS)

    Becerra, L. R.; Gerfen, G. J.; Bellew, B. F.; Bryant, J. A.; Hall, D. A.; Inati, S. J.; Weber, R. T.; Un, S.; Prisner, T. F.; McDermott, A. E.; Fishbein, K. W.; Kreischer, K. E.; Temkin, R. J.; Singel, D. J.; Griffin, R. G.

    A high-frequency dynamic nuclear polarization (DNP)/electron paramagnetic resonance spectrometer operating at 211 MHz for 1H and 140 GHz for g= 2 paramagnetic centers (5 T static field) is described. The salient feature of the instrument is a cyclotron-resonance maser (gyrotron) which generates high-frequency, high-power microwave radiation. This gyrotron, which under conventional operation produces millisecond pulses at kilowatt powers, has been adapted to operate at ˜100 W for 1 to 20 s pulses and in the continuous wave mode at the 10 W power level. Experiments combining DNP with magic-angle spinning (MAS) nuclear magnetic resonance were performed on samples consisting of 2% by weight of the free radical BDPA doped into polystyrene. Room-temperature DNP enhancement factors of 10 for 1H and 40 for 13C were obtained in the NMR-MAS spectra. Static DNP NMR has also been performed on samples containing nitroxides dissolved in water:glycerol solvent mixtures. Enhancements of approximately 200 have been obtained for low-temperature (14 K) 1H NMR. A pulsed/CW EPR spectrometer operating at 140 GHz has been developed in conjunction with the DNP spectrometer. Microwave sources include Gunn-diode oscillators which provide low-power (20 mW) radiation, and the gyrotron, which has been used to deliver higher power levels in pulsed experiments. Results using this spectrometer are presented for continuous-wave and echo-detected EPR, electron spin-echo-envelope modulation (ESEEM), and Fourier-transform EPR.

  14. Causation's nuclear future: applying proportional liability to the Price-Anderson Act.

    PubMed

    O'Connell, William D

    2014-11-01

    For more than a quarter century, public discourse has pushed the nuclear-power industry in the direction of heavier regulation and greater scrutiny, effectively halting construction of new reactors. By focusing on contemporary fear of significant accidents, such discourse begs the question of what the nation's court system would actually do should a major nuclear incident cause radiation-induced cancers. Congress's attempt to answer that question is the Price-Anderson Act, a broad statute addressing claims by the victims of a major nuclear accident. Lower courts interpreting the Act have repeatedly encountered a major stumbling block: it declares that judges must apply the antediluvian preponderance-of-the-evidence logic of state tort law, even though radiation science insists that the causes of radiation-induced cancers are more complex. After a major nuclear accident, the Act's paradoxically outdated rules for adjudicating "causation" would make post-incident compensation unworkable. This Note urges that nuclear-power-plant liability should not turn on eighteenth-century tort law. Drawing on modern scientific conclusions regarding the invariably "statistical" nature of cancer, this Note suggests a unitary federal standard for the Price-Anderson Act--that a defendant be deemed to have "caused" a plaintiff's injury in direct proportion to the increased risk of harm the defendant has imposed. This "proportional liability" rule would not only fairly evaluate the costs borne by injured plaintiffs and protect a reawakening nuclear industry from the prospect of bank-breaking litigation, but would prove workable with only minor changes to the Price-Anderson Act's standards of "injury" and "fault." PMID:25507406

  15. Causation's nuclear future: applying proportional liability to the Price-Anderson Act.

    PubMed

    O'Connell, William D

    2014-11-01

    For more than a quarter century, public discourse has pushed the nuclear-power industry in the direction of heavier regulation and greater scrutiny, effectively halting construction of new reactors. By focusing on contemporary fear of significant accidents, such discourse begs the question of what the nation's court system would actually do should a major nuclear incident cause radiation-induced cancers. Congress's attempt to answer that question is the Price-Anderson Act, a broad statute addressing claims by the victims of a major nuclear accident. Lower courts interpreting the Act have repeatedly encountered a major stumbling block: it declares that judges must apply the antediluvian preponderance-of-the-evidence logic of state tort law, even though radiation science insists that the causes of radiation-induced cancers are more complex. After a major nuclear accident, the Act's paradoxically outdated rules for adjudicating "causation" would make post-incident compensation unworkable. This Note urges that nuclear-power-plant liability should not turn on eighteenth-century tort law. Drawing on modern scientific conclusions regarding the invariably "statistical" nature of cancer, this Note suggests a unitary federal standard for the Price-Anderson Act--that a defendant be deemed to have "caused" a plaintiff's injury in direct proportion to the increased risk of harm the defendant has imposed. This "proportional liability" rule would not only fairly evaluate the costs borne by injured plaintiffs and protect a reawakening nuclear industry from the prospect of bank-breaking litigation, but would prove workable with only minor changes to the Price-Anderson Act's standards of "injury" and "fault." PMID:25423683

  16. 7Li relaxation time measurements at very low magnetic field by 1H dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Zeghib, Nadir; Grucker, Daniel

    2001-09-01

    Dynamic nuclear polarization (DNP) of water protons was used to measure the relaxation time of lithium at very low magnetic field as a demonstration of the use of DNP for nuclei less abundant than water protons. Lithium (Li+) was chosen because it is an efficient treatment for manic-depressive illness, with an unknown action mechanism. After having recalled the theoretical basis of a three-spin system comprising two nuclei - the water proton of the solvent, the dissolved Li+ ion and the free electron of a free radical - we have developed a transient solution in order to optimize potential biological applications of Li DNP. The three-spin model has allowed computation of all the parameters of the system - the longitudinal relaxation rate per unit of free radical concentration, the dipolar and scalar part of the coupling between the nuclei and the electron, and the maximum signal enhancement achievable for both proton and lithium spins. All these measurements have been obtained solely through the detection of the proton resonance.

  17. High-frequency dynamic nuclear polarization in MAS spectra of membrane and soluble proteins.

    PubMed

    Rosay, Melanie; Lansing, Jonathan C; Haddad, Kristin C; Bachovchin, William W; Herzfeld, Judith; Temkin, Richard J; Griffin, Robert G

    2003-11-12

    One of the principal promises of solid-state NMR (SSNMR) magic angle spinning (MAS) experiments has been the possibility of determining the structures of molecules in states that are not accessible via X-ray or solution NMR experiments-e.g., membrane or amyloid proteins. However, the low sensitivity of SSNMR often restricts structural studies to small-model compounds and precludes many higher-dimensional solid-state MAS experiments on such systems. To address the sensitivity problem, we have developed experiments that utilize dynamic nuclear polarization (DNP) to enhance sensitivity. In this communication, we report the successful application of MAS DNP to samples of cryoprotected soluble and membrane proteins. In particular, we have observed DNP signal enhancements of up to 50 in 15N MAS spectra of bacteriorhodopsin (bR) and alpha-lytic protease (alpha-LP). The spectra were recorded at approximately 90 K where MAS is experimentally straightforward, and the results suggest that the described protocol will be widely applicable. PMID:14599177

  18. Dynamic nuclear polarization-magnetic resonance imaging at low ESR irradiation frequency for ascorbyl free radicals

    NASA Astrophysics Data System (ADS)

    Ito, Shinji; Hyodo, Fuminori

    2016-02-01

    Highly water-soluble ubiquinone-0 (CoQ0) reacts with ascorbate monoanion (Asc) to mediate the production of ascorbyl free radicals (AFR). Using aqueous reaction mixture of CoQ0 and Asc, we obtained positively enhanced dynamic nuclear polarization (DNP)-magnetic resonance (MR) images of the AFR at low frequency (ranging from 515 to 530 MHz) of electron spin resonance (ESR) irradiation. The shape of the determined DNP spectrum was similar to ESR absorption spectra with doublet spectral peaks. The relative locational relationship of spectral peaks in the DNP spectra between the AFR (520 and 525 MHz), 14N-labeled carbamoyl-PROXYL (14N-CmP) (526.5 MHz), and Oxo63 (522 MHz) was different from that in the X-band ESR spectra, but were similar to that in the 300-MHz ESR spectra. The ratio of DNP enhancement to radical concentration for the AFR was higher than those for 14N-CmP, Oxo63, and flavin semiquinone radicals. The spectroscopic DNP properties observed for the AFR were essentially the same as those for AFR mediated by pyrroloquinoline quinone. Moreover, we made a success of in vivo DNP-MR imaging of the CoQ0-mediated AFR which was administered by the subcutaneous and oral injections as an imaging probe.

  19. Amplifying Dynamic Nuclear Polarization of Frozen Solutions by Incorporating Dielectric Particles

    PubMed Central

    2014-01-01

    There is currently great interest in understanding the limits on NMR signal enhancements provided by dynamic nuclear polarization (DNP), and in particular if the theoretical maximum enhancements can be achieved. We show that over a 2-fold improvement in cross-effect DNP enhancements can be achieved in MAS experiments on frozen solutions by simply incorporating solid particles into the sample. At 9.4 T and ∼105 K, enhancements up to εH = 515 are obtained in this way, corresponding to 78% of the theoretical maximum. We also underline that degassing of the sample is important to achieve highest enhancements. We link the amplification effect to the dielectric properties of the solid material, which probably gives rise to scattering, diffraction, and amplification of the microwave field in the sample. This is substantiated by simulations of microwave propagation. A reduction in sample heating at a given microwave power also likely occurs due to reduced dielectric loss. Simulations indicate that the microwave field (and thus the DNP enhancement) is inhomogeneous in the sample, and we deduce that in these experiments between 5 and 10% of the solution actually yields the theoretical maximum signal enhancement of 658. The effect is demonstrated for a variety of particles added to both aqueous and organic biradical solutions. PMID:25285480

  20. Cryogenic sample exchange NMR probe for magic angle spinning dynamic nuclear polarization

    PubMed Central

    Barnes, Alexander B.; Mak-Jurkauskas, Melody L.; Matsuki, Yoh; Bajaj, Vikram S.; van der Wel, Patrick C. A.; DeRocher, Ronald; Bryant, Jeffrey; Sirigiri, Jagadishwar R.; Temkin, Richard J.; Lugtenburg, Johan; Herzfeld, Judith; Griffin, Robert G.

    2009-01-01

    We describe a cryogenic sample exchange system that dramatically improves the efficiency of magic angle spinning (MAS) dynamic nuclear polarization (DNP) experiments by reducing the time required to change samples and by improving long-term instrument stability. Changing samples in conventional cryogenic MAS DNP/NMR experiments involves warming the probe to room temperature, detaching all cryogenic, RF, and microwave connections, removing the probe from the magnet, replacing the sample, and reversing all the previous steps, with the entire cycle requiring a few hours. The sample exchange system described here — which relies on an eject pipe attached to the front of the MAS stator and a vacuum jacketed dewar with a bellowed hole — circumvents these procedures. To demonstrate the excellent sensitivity, resolution, and stability achieved with this quadruple resonance sample exchange probe, we have performed high precision distance measurements on the active site of the membrane protein bacteriorhodopsin. We also include a spectrum of the tripeptide N-f-MLF-OH at 100 K which shows 30 Hz linewidths. PMID:19356957

  1. Frequency swept microwaves for hyperfine decoupling and time domain dynamic nuclear polarization.

    PubMed

    Hoff, Daniel E M; Albert, Brice J; Saliba, Edward P; Scott, Faith J; Choi, Eric J; Mardini, Michael; Barnes, Alexander B

    2015-11-01

    Hyperfine decoupling and pulsed dynamic nuclear polarization (DNP) are promising techniques to improve high field DNP NMR. We explore experimental and theoretical considerations to implement them with magic angle spinning (MAS). Microwave field simulations using the high frequency structural simulator (HFSS) software suite are performed to characterize the inhomogeneous phase independent microwave field throughout a 198GHz MAS DNP probe. Our calculations show that a microwave power input of 17W is required to generate an average EPR nutation frequency of 0.84MHz. We also present a detailed calculation of microwave heating from the HFSS parameters and find that 7.1% of the incident microwave power contributes to dielectric sample heating. Voltage tunable gyrotron oscillators are proposed as a class of frequency agile microwave sources to generate microwave frequency sweeps required for the frequency modulated cross effect, electron spin inversions, and hyperfine decoupling. Electron spin inversions of stable organic radicals are simulated with SPINEVOLUTION using the inhomogeneous microwave fields calculated by HFSS. We calculate an electron spin inversion efficiency of 56% at a spinning frequency of 5kHz. Finally, we demonstrate gyrotron acceleration potentials required to generate swept microwave frequency profiles for the frequency modulated cross effect and electron spin inversions. PMID:26482131

  2. Structure of Colloidal Quantum Dots from Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy.

    PubMed

    Piveteau, Laura; Ong, Ta-Chung; Rossini, Aaron J; Emsley, Lyndon; Copéret, Christophe; Kovalenko, Maksym V

    2015-11-01

    Understanding the chemistry of colloidal quantum dots (QDs) is primarily hampered by the lack of analytical methods to selectively and discriminately probe the QD core, QD surface and capping ligands. Here, we present a general concept for studying a broad range of QDs such as CdSe, CdTe, InP, PbSe, PbTe, CsPbBr3, etc., capped with both organic and inorganic surface capping ligands, through dynamic nuclear polarization (DNP) surface enhanced NMR spectroscopy. DNP can enhance NMR signals by factors of 10-100, thereby reducing the measurement times by 2-4 orders of magnitude. 1D DNP enhanced spectra acquired in this way are shown to clearly distinguish QD surface atoms from those of the QD core, and environmental effects such as oxidation. Furthermore, 2D NMR correlation experiments, which were previously inconceivable for QD surfaces, are demonstrated to be readily performed with DNP and provide the bonding motifs between the QD surfaces and the capping ligands. PMID:26473384

  3. Implementation and characterization of flow injection in dissolution dynamic nuclear polarization NMR spectroscopy.

    PubMed

    Chen, Hsueh-Ying; Hilty, Christian

    2015-08-24

    The use of dissolution dynamic nuclear polarization (D-DNP) offers substantially increased signals in liquid-state NMR spectroscopy. A challenge in realizing this potential lies in the transfer of the hyperpolarized sample to the NMR detector without loss of hyperpolarization. Here, the use of a flow injection method using high-pressure liquid leads to improved performance compared to the more common gas-driven injection, by suppressing residual fluid motions during the NMR experiment while still achieving a short injection time. Apparent diffusion coefficients are determined from pulsed field gradient echo measurements, and are shown to fall below 1.5 times the value of a static sample within 0.8 s. Due to the single-scan nature of D-DNP, pulsed field gradients are often the only choice for coherence selection or encoding, but their application requires stationary fluid. Sample delivery driven by a high-pressure liquid will improve the applicability of these types of D-DNP advanced experiments. PMID:26139513

  4. Dynamic nuclear polarization-magnetic resonance imaging at low ESR irradiation frequency for ascorbyl free radicals.

    PubMed

    Ito, Shinji; Hyodo, Fuminori

    2016-01-01

    Highly water-soluble ubiquinone-0 (CoQ0) reacts with ascorbate monoanion (Asc) to mediate the production of ascorbyl free radicals (AFR). Using aqueous reaction mixture of CoQ0 and Asc, we obtained positively enhanced dynamic nuclear polarization (DNP)-magnetic resonance (MR) images of the AFR at low frequency (ranging from 515 to 530 MHz) of electron spin resonance (ESR) irradiation. The shape of the determined DNP spectrum was similar to ESR absorption spectra with doublet spectral peaks. The relative locational relationship of spectral peaks in the DNP spectra between the AFR (520 and 525 MHz), (14)N-labeled carbamoyl-PROXYL ((14)N-CmP) (526.5 MHz), and Oxo63 (522 MHz) was different from that in the X-band ESR spectra, but were similar to that in the 300-MHz ESR spectra. The ratio of DNP enhancement to radical concentration for the AFR was higher than those for (14)N-CmP, Oxo63, and flavin semiquinone radicals. The spectroscopic DNP properties observed for the AFR were essentially the same as those for AFR mediated by pyrroloquinoline quinone. Moreover, we made a success of in vivo DNP-MR imaging of the CoQ0-mediated AFR which was administered by the subcutaneous and oral injections as an imaging probe. PMID:26892591

  5. Dynamic nuclear polarization-magnetic resonance imaging at low ESR irradiation frequency for ascorbyl free radicals

    PubMed Central

    Ito, Shinji; Hyodo, Fuminori

    2016-01-01

    Highly water-soluble ubiquinone-0 (CoQ0) reacts with ascorbate monoanion (Asc) to mediate the production of ascorbyl free radicals (AFR). Using aqueous reaction mixture of CoQ0 and Asc, we obtained positively enhanced dynamic nuclear polarization (DNP)-magnetic resonance (MR) images of the AFR at low frequency (ranging from 515 to 530 MHz) of electron spin resonance (ESR) irradiation. The shape of the determined DNP spectrum was similar to ESR absorption spectra with doublet spectral peaks. The relative locational relationship of spectral peaks in the DNP spectra between the AFR (520 and 525 MHz), 14N-labeled carbamoyl-PROXYL (14N-CmP) (526.5 MHz), and Oxo63 (522 MHz) was different from that in the X-band ESR spectra, but were similar to that in the 300-MHz ESR spectra. The ratio of DNP enhancement to radical concentration for the AFR was higher than those for 14N-CmP, Oxo63, and flavin semiquinone radicals. The spectroscopic DNP properties observed for the AFR were essentially the same as those for AFR mediated by pyrroloquinoline quinone. Moreover, we made a success of in vivo DNP-MR imaging of the CoQ0-mediated AFR which was administered by the subcutaneous and oral injections as an imaging probe. PMID:26892591

  6. Linearly polarized photons from Compton backscattering of laser light for nuclear resonance fluorescence experiments

    NASA Astrophysics Data System (ADS)

    Ohgaki, H.; Noguchi, T.; Sugiyama, S.; Yamazaki, T.; Mikado, T.; Chiwaki, M.; Yamada, K.; Suzuki, R.; Sei, N.

    1994-12-01

    Elastically scattered photons from 208Pb(γ pol, γ) have been measured with completely polarized photons. The polarized photons (laser Compton photons) can be generated by Compton backscattering of laser light. The energy of the polarized LCPs ranges from 1 to 10 MeV by using a Q-switched Nd:YAG laser and the storage ring TERAS at Electrotechnical Laboratory. We can rotate the polarization axis of the LCPs by using the laser polarization controller to diminish the systematic error in the measurement system. Parities of J = 1 levels in 208Pb, Ex = 5.514 and 4.841 MeV, were clearly determined to be negative.

  7. Fast characterization of functionalized silica materials by silicon-29 surface-enhanced NMR spectroscopy using dynamic nuclear polarization.

    PubMed

    Lelli, Moreno; Gajan, David; Lesage, Anne; Caporini, Marc A; Vitzthum, Veronika; Miéville, Pascal; Héroguel, Florent; Rascón, Fernando; Roussey, Arthur; Thieuleux, Chloé; Boualleg, Malika; Veyre, Laurent; Bodenhausen, Geoffrey; Copéret, Christophe; Emsley, Lyndon

    2011-02-23

    We demonstrate fast characterization of the distribution of surface bonding modes and interactions in a series of functionalized materials via surface-enhanced nuclear magnetic resonance spectroscopy using dynamic nuclear polarization (DNP). Surface-enhanced silicon-29 DNP NMR spectra were obtained by using incipient wetness impregnation of the sample with a solution containing a polarizing radical (TOTAPOL). We identify and compare the bonding topology of functional groups in materials obtained via a sol-gel process and in materials prepared by post-grafting reactions. Furthermore, the remarkable gain in time provided by surface-enhanced silicon-29 DNP NMR spectroscopy (typically on the order of a factor 400) allows the facile acquisition of two-dimensional correlation spectra. PMID:21280606

  8. Protonation of carbon single-walled nanotubes studied using 13C and 1H-13C cross polarization nuclear magnetic resonance and Raman spectroscopies.

    PubMed

    Engtrakul, Chaiwat; Davis, Mark F; Gennett, Thomas; Dillon, Anne C; Jones, Kim M; Heben, Michael J

    2005-12-14

    The reversible protonation of carbon single-walled nanotubes (SWNTs) in sulfuric acid and Nafion was investigated using solid-state nuclear magnetic resonance (NMR) and Raman spectroscopies. Magic-angle spinning (MAS) was used to obtain high-resolution 13C and 1H-13C cross polarization (CP) NMR spectra. The 13C NMR chemical shifts are reported for bulk SWNTs, H2SO4-treated SWNTs, SWNT-Nafion polymer composites, SWNT-AQ55 polymer composites, and SWNTs in contact with water. Protonation occurs without irreversible oxidation of the nanotube substrate via a charge-transfer process. This is the first report of a chemically induced change in a SWNT 13C resonance brought about by a reversible interaction with an acidic proton, providing additional evidence that carbon nanotubes behave as weak bases. Cross polarization was found to be a powerful technique for providing an additional contrast mechanism for studying nanotubes in contact with other chemical species. The CP studies confirmed polarization transfer from nearby protons to nanotube carbon atoms. The CP technique was also applied to investigate water adsorbed on carbon nanotube surfaces. Finally, the degree of bundling of the SWNTs in Nafion films was probed with the 1H-13C CP-MAS technique. PMID:16332107

  9. Applying programmatic risk assessment to nuclear materials stabilization R and D planning

    SciTech Connect

    Brown-Van Hoozer, S.A.; Kenley, C.R.

    1997-10-01

    A systems engineering approach to programmatic risk assessment, derived from the aerospace industry, was applied to various stabilization technologies to assess their relative maturity and availability for use in stabilizing nuclear materials. The assessment provided valuable information for trading off available technologies and identified the at-risk technologies that will require close tracking by the Department of Energy (DOE) to mitigate programmatic risks. This paper presents the programmatic risk assessment methodology developed for the 1995 R and D Plan and updated for the 1996 R and D Plan. Results of the 1996 assessment also are presented (DOE/ID-10561, 1996).

  10. Comparative studies of Coulomb barrier heights for nuclear models applied to sub-barrier fusion

    NASA Astrophysics Data System (ADS)

    Qu, W. W.; Zhang, G. L.; Zhang, H. Q.; Wolski, R.

    2014-12-01

    Coulomb barrier heights provided by different nuclear interaction models including the Bass model, the proximity potential model, and the double folding model have been applied for experimental data of fusion in terms of a recently proposed energy scaling approach. The results show that the proximity potential description of the barrier heights seems to be closest to the values required by the systematics. It is suggested that the proximity potential model is the most suitable model to calculate the barrier height. However, the double folding model gives the lowest barrier heights.

  11. Low-temperature dynamic nuclear polarization with helium-cooled samples and nitrogen-driven magic-angle spinning

    NASA Astrophysics Data System (ADS)

    Thurber, Kent; Tycko, Robert

    2016-03-01

    We describe novel instrumentation for low-temperature solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS), focusing on aspects of this instrumentation that have not been described in detail in previous publications. We characterize the performance of an extended interaction oscillator (EIO) microwave source, operating near 264 GHz with 1.5 W output power, which we use in conjunction with a quasi-optical microwave polarizing system and a MAS NMR probe that employs liquid helium for sample cooling and nitrogen gas for sample spinning. Enhancement factors for cross-polarized 13C NMR signals in the 100-200 range are demonstrated with DNP at 25 K. The dependences of signal amplitudes on sample temperature, as well as microwave power, polarization, and frequency, are presented. We show that sample temperatures below 30 K can be achieved with helium consumption rates below 1.3 l/h. To illustrate potential applications of this instrumentation in structural studies of biochemical systems, we compare results from low-temperature DNP experiments on a calmodulin-binding peptide in its free and bound states.

  12. Low-temperature dynamic nuclear polarization with helium-cooled samples and nitrogen-driven magic-angle spinning.

    PubMed

    Thurber, Kent; Tycko, Robert

    2016-03-01

    We describe novel instrumentation for low-temperature solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS), focusing on aspects of this instrumentation that have not been described in detail in previous publications. We characterize the performance of an extended interaction oscillator (EIO) microwave source, operating near 264 GHz with 1.5 W output power, which we use in conjunction with a quasi-optical microwave polarizing system and a MAS NMR probe that employs liquid helium for sample cooling and nitrogen gas for sample spinning. Enhancement factors for cross-polarized (13)C NMR signals in the 100-200 range are demonstrated with DNP at 25K. The dependences of signal amplitudes on sample temperature, as well as microwave power, polarization, and frequency, are presented. We show that sample temperatures below 30K can be achieved with helium consumption rates below 1.3 l/h. To illustrate potential applications of this instrumentation in structural studies of biochemical systems, we compare results from low-temperature DNP experiments on a calmodulin-binding peptide in its free and bound states. PMID:26920835

  13. Non-destructive research methods applied on materials for the new generation of nuclear reactors

    NASA Astrophysics Data System (ADS)

    Bartošová, I.; Slugeň, V.; Veterníková, J.; Sojak, S.; Petriska, M.; Bouhaddane, A.

    2014-06-01

    The paper is aimed on non-destructive experimental techniques applied on materials for the new generation of nuclear reactors (GEN IV). With the development of these reactors, also materials have to be developed in order to guarantee high standard properties needed for construction. These properties are high temperature resistance, radiation resistance and resistance to other negative effects. Nevertheless the changes in their mechanical properties should be only minimal. Materials, that fulfil these requirements, are analysed in this work. The ferritic-martensitic (FM) steels and ODS steels are studied in details. Microstructural defects, which can occur in structural materials and can be also accumulated during irradiation due to neutron flux or alpha, beta and gamma radiation, were analysed using different spectroscopic methods as positron annihilation spectroscopy and Barkhausen noise, which were applied for measurements of three different FM steels (T91, P91 and E97) as well as one ODS steel (ODS Eurofer).

  14. Dynamic nuclear polarization-enhanced 1H–13C double resonance NMR in static samples below 20 K

    PubMed Central

    Potapov, Alexey; Thurber, Kent R.; Yau, Wai-Ming; Tycko, Robert

    2012-01-01

    We demonstrate the feasibility of one-dimensional and two-dimensional 1H–13C double resonance NMR experiments with dynamic nuclear polarization (DNP) at 9.4 T and temperatures below 20 K, including both 1H–13C cross-polarization and 1H decoupling, and discuss the effects of polarizing agent type, polarizing agent concentration, temperature, and solvent deuteration. We describe a two-channel low-temperature DNP/NMR probe, capable of carrying the radio-frequency power load required for 1H–13C cross-polarization and high-power proton decoupling. Experiments at 8 K and 16 K reveal a significant T2 relaxation of 13C, induced by electron spin flips. Carr–Purcell experiments and numerical simulations of Carr–Purcell dephasing curves allow us to determine the effective correlation time of electron flips under our experimental conditions. The dependence of the DNP signal enhancement on electron spin concentration shows a maximum near 80 mM. Although no significant difference in the absolute DNP enhancements for triradical (DOTOPA-TEMPO) and biradical (TOTAPOL) dopants was found, the triradical produced greater DNP build-up rates, which are advantageous for DNP experiments. Additionally the feasibility of structural measurements on 13C-labeled biomolecules was demonstrated with a two-dimensional 13C–13C exchange spectrum of selectively 13C-labeled β-amyloid fibrils. PMID:22743540

  15. Dynamic nuclear polarization-enhanced 1H-13C double resonance NMR in static samples below 20 K

    NASA Astrophysics Data System (ADS)

    Potapov, Alexey; Thurber, Kent R.; Yau, Wai-Ming; Tycko, Robert

    2012-08-01

    We demonstrate the feasibility of one-dimensional and two-dimensional 1H-13C double resonance NMR experiments with dynamic nuclear polarization (DNP) at 9.4 T and temperatures below 20 K, including both 1H-13C cross-polarization and 1H decoupling, and discuss the effects of polarizing agent type, polarizing agent concentration, temperature, and solvent deuteration. We describe a two-channel low-temperature DNP/NMR probe, capable of carrying the radio-frequency power load required for 1H-13C cross-polarization and high-power proton decoupling. Experiments at 8 K and 16 K reveal a significant T2 relaxation of 13C, induced by electron spin flips. Carr-Purcell experiments and numerical simulations of Carr-Purcell dephasing curves allow us to determine the effective correlation time of electron flips under our experimental conditions. The dependence of the DNP signal enhancement on electron spin concentration shows a maximum near 80 mM. Although no significant difference in the absolute DNP enhancements for triradical (DOTOPA-TEMPO) and biradical (TOTAPOL) dopants was found, the triradical produced greater DNP build-up rates, which are advantageous for DNP experiments. Additionally the feasibility of structural measurements on 13C-labeled biomolecules was demonstrated with a two-dimensional 13C-13C exchange spectrum of selectively 13C-labeled β-amyloid fibrils.

  16. Characterization of organic contaminants in porous media using nuclear magnetic resonance and spectral induced polarization measurements.

    NASA Astrophysics Data System (ADS)

    Rupert, Y. K.

    2015-12-01

    The remediation and monitoring of soils and groundwater contaminated with organic compounds is an important goal of many environmental restoration efforts. This laboratory research focuses on combining two innovative geophysical methods: nuclear magnetic resonance (NMR) and spectral induced polarization (SIP) to assess their suitability to characterize and quantify organic contaminants in porous media. Toluene, a light non-aqueous phase liquid (LNAPL), and ethoxy-nonafluorobutane, an engineered dense non-aqueous phase liquid (DNAPL), have been selected as representative organic contaminants. Low-field NMR relaxation time (T2) measurements and diffusion-relaxation (D-T2) correlation measurements, as well as low frequency SIP measurements (<10 kHz) are performed to quantify the amount of these two organic compounds in the presence of water in three types of porous media (sands, clay, and various sand-clay mixtures). The T2, D-T2, and SIP measurements are made on water, toluene, and the synthetic DNAPL in each porous media to understand the effect of different porous media on the NMR and SIP responses in each fluid. We then plan to make measurements on water-organic mixtures with varied concentrations of organic compounds in each porous medium to resolve the NMR and SIP response of the organic contaminants from that of water and to quantify the amount of organic contaminants. Building a relationship between SIP and NMR signatures from organic contaminants not only provides a fundamental yet important petrophysical relationship, but also builds a framework for continued investigation into how these two methods synergize. This will also provide spatially dense information about organic contaminated natural sediments at scales that will improve the quantitative characterization and remediation of contaminated sites.The remediation and monitoring of soils and groundwater contaminated with organic compounds is an important goal of many environmental restoration efforts

  17. Avertable dose intervention applied in emergency response dose evaluation system for nuclear emergency preparedness in Taiwan

    NASA Astrophysics Data System (ADS)

    Lu, Chung-hsin; Teng, Jen-hsin; Yang, Yung-muh; Chang, Bor-jing

    2010-06-01

    In Taiwan the new guides for the nuclear emergency public protective action were laid down by the Atomic Energy Council (AEC) of Executive Yuan, Taiwan, ROC on July 15th, 2005. The main modifications of the guides are that the avertable dose is applied as the intervention levels and suggests the public protective actions. The emergency response dose evaluation system named RPDOSE, which was developed in 2005, was employed in this work to enhance the capability of the avertable dose evaluation for the villages in the emergency planning zone (EPZ). The period of the long-term weather forecasting data was extended from 4 to 8 days to satisfy the requirement of avertable dose computing. According to the intervention levels, the RPDOSE system is used to calculate the avertable dose and suggest appropriate public protective actions such as sheltering, evacuation or iodine prophylaxis as well as the proposed acting times for each village in the EPZ. This system was employed and examined in the annual nuclear emergency exercise of 2008 in the Maanshan nuclear power plant.

  18. Characterizing petrophysical properties of carbonate rocks using nuclear magnetic resonance and spectral induced polarization

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Zhang, Chi; Rankey, Eugene

    2016-04-01

    Unlike sandstones, with well-characterized correlations between porosity and permeability, carbonate rocks are well known for their highly complex petrophysical behaviors due to their intrinsically heterogeneous pore shape, pore size, and pore distributions and connectivity. The characterization of petrophysical properties of carbonate rocks, including rock properties and rock-fluid interactions, remains big challenges. This laboratory study focuses on integrating two geophysical methods: nuclear magnetic resonance (NMR) and spectral induced polarization (SIP) to determine porosity, pore size distribution, and permeability of carbonate rocks. NMR measures the relaxation of hydrogen nuclei at pore scale. Samples with different pore structures saturated by fluids have molecular relaxation responses to the external magnetic field which could generate various NMR signals. Permeability estimation from NMR in siliciclastic rocks is routine, however, is problematic in carbonates. SIP determines complex resistivity of a sample across a wide range of frequency and is sensitive to variations in the properties of solid-fluid and fluid-fluid interfaces in porous media. Previous studies investigated the relationships between permeability and parameters derived from SIP data, but are restricted to narrow lithology range. Our study used carbonate core samples from three depositional environments: tidal zone, shallow marine, and platform/reef margin of an atoll. Samples were fully saturated by water for T2 relaxation measurements and complex conductivity measurements at low frequencies. We compare the pore volume to surface area ratio measured from NMR and SIP and assess the applicability of established petrophysical models to estimate permeability from NMR and SIP data. We hope to build a relationship between NMR signals, SIP responses and petrophysical properties in carbonate rocks. The results could also provide new data and help further understand the unique and complex pore

  19. Intermolecular structure determination of amyloid fibrils with magic-angle spinning and dynamic nuclear polarization NMR

    PubMed Central

    Bayro, Marvin J.; Debelouchina, Galia T.; Eddy, Matthew T.; Birkett, Neil R.; MacPhee, Catherine E.; Rosay, Melanie; Maas, Werner E.; Dobson, Christopher M.

    2011-01-01

    We describe magic-angle spinning NMR experiments designed to elucidate the interstrand architecture of amyloid fibrils. Three methods are introduced for this purpose, two being based on the analysis of long-range 13C-13C correlation spectra and a third based on the identification of intermolecular interactions in 13C-15N spectra. We show, in studies of fibrils formed by the 86-residue SH3 domain of PI3 kinase (PI3-SH3), that efficient 13C-13C correlation spectra display a resonance degeneracy that establishes a parallel, in-register alignment of the proteins in the amyloid fibrils. In addition, this degeneracy can be circumvented to yield direct intermolecular constraints. The 13C-13C experiments are corroborated by 15N-13C correlation spectrum obtained from a mixed [15N,12C]/[14N,13C] sample which directly quantifies interstrand distances. Furthermore, when the spectra are recorded with signal enhancement provided by dynamic nuclear polarization (DNP) at 100 K, we demonstrate a dramatic increase (from 23 to 52) in the number of intermolecular 15N-13C constraints present in the spectra. The increase in the information content is due to the enhanced signal intensities and to the fact that dynamic processes, leading to spectral intensity losses, are quenched at low temperatures. Thus, acquisition of low temperature spectra addresses a problem that is frequently encountered in MAS spectra of proteins. In total the experiments provide 111 intermolecular 13C-13C and 15N-13C constraints that establish that the PI3-SH3 protein strands are aligned in a parallel, in-register arrangement within the amyloid fibril. PMID:21774549

  20. ⁵⁷Fe polarization-dependent synchrotron Mössbauer spectroscopy using a diamond phase plate and an iron borate nuclear Bragg monochromator.

    PubMed

    Mitsui, Takaya; Imai, Yasuhiko; Masuda, Ryo; Seto, Makoto; Mibu, Ko

    2015-03-01

    Energy-domain (57)Fe polarization-dependent synchrotron radiation Mössbauer spectroscopy was developed by using a diamond X-ray phase plate and an iron borate nuclear Bragg monochromator. The former controls the polarization of the incident synchrotron radiation X-rays and the latter filters the (57)Fe-Mössbauer radiation with a narrow bandwidth of ∼3.4 Γ0 (Γ0 ≃ 4.7 neV: natural linewidth of the (57)Fe nucleus) from the broadband synchrotron radiation. The developed nuclear diffraction optics allowed (57)Fe-Mössbauer studies to be performed with various polarization states, i.e. linear polarization, circular polarization and non-polarization. In this paper, the spectrometer system, beam characterization, performance-test experiments and a grazing-incidence Mössbauer measurement of an isotope-enriched ((57)Fe: 95%) iron thin film are described. PMID:25723944

  1. Very Long Baseline Interferometry Applied to Polar Motion, Relativity and Geodesy. Ph.D. Thesis - Maryland Univ.

    NASA Technical Reports Server (NTRS)

    Ma, C.

    1978-01-01

    The causes and effects of diurnal polar motion are described. An algorithm is developed for modeling the effects on very long baseline interferometry observables. Five years of radio-frequency very long baseline interferometry data from stations in Massachusetts, California, and Sweden are analyzed for diurnal polar motion. It is found that the effect is larger than predicted by McClure. Corrections to the standard nutation series caused by the deformability of the earth have a significant effect on the estimated diurnal polar motion scaling factor and the post-fit residual scatter. Simulations of high precision very long baseline interferometry experiments taking into account both measurement uncertainty and modeled errors are described.

  2. Applying the polarity rapid assessment method to characterize nitrosamine precursors and to understand their removal by drinking water treatment processes.

    PubMed

    Liao, Xiaobin; Bei, Er; Li, Shixiang; Ouyang, Yueying; Wang, Jun; Chen, Chao; Zhang, Xiaojian; Krasner, Stuart W; Suffet, I H Mel

    2015-12-15

    Some N-nitrosamines (NAs) have been identified as emerging disinfection by-products during water treatment. Thus, it is essential to understand the characteristics of the NA precursors. In this study, the polarity rapid assessment method (PRAM) and the classical resin fractionation method were studied as methods to fractionate the NA precursors during drinking water treatment. The results showed that PRAM has much higher selectivity for NA precursors than the resin approach. The normalized N-nitrosodimethylamine formation potential (NDMA FP) and N-nitrosodiethylamine (NDEA) FP of four resin fractions was at the same level as the average yield of the bulk organic matter whereas that of the cationic fraction by PRAM showed 50 times the average. Thus, the cationic fraction was shown to be the most important NDMA precursor contributor. The PRAM method also helped understand which portions of the NA precursor were removed by different water treatment processes. Activated carbon (AC) adsorption removed over 90% of the non-polar PRAM fraction (that sorbs onto the C18 solid phase extraction [SPE] cartridge) of NDMA and NDEA precursors. Bio-treatment removed 80-90% of the cationic fraction of PRAM (that is retained on the cation exchange SPE cartridge) and 40-60% of the non-cationic fractions. Ozonation removed 50-60% of the non-polar PRAM fraction of NA precursors and transformed part of them into the polar fraction. Coagulation and sedimentation had very limited removal of various PRAM fractions of NA precursors. PMID:26433007

  3. Synthesis and evaluation of nitroxide-based oligoradicals for low-temperature dynamic nuclear polarization in solid state NMR

    NASA Astrophysics Data System (ADS)

    Yau, Wai-Ming; Thurber, Kent R.; Tycko, Robert

    2014-07-01

    We describe the synthesis of new nitroxide-based biradical, triradical, and tetraradical compounds and the evaluation of their performance as paramagnetic dopants in dynamic nuclear polarization (DNP) experiments in solid state nuclear magnetic resonance (NMR) spectroscopy with magic-angle spinning (MAS). Under our experimental conditions, which include temperatures in the 25-30 K range, a 9.4 T magnetic field, MAS frequencies of 6.2-6.8 kHz, and microwave irradiation at 264.0 GHz from a 800 mW extended interaction oscillator source, the most effective compounds are triradicals that are related to the previously-described compound DOTOPA-TEMPO (see Thurber et al., 2010), but have improved solubility in glycerol/water solvent near neutral pH. Using these compounds at 30 mM total nitroxide concentration, we observe DNP enhancement factors of 92-128 for cross-polarized 13C NMR signals from 15N,13C-labeled melittin in partially protonated glycerol/water, and build-up times of 2.6-3.8 s for 1H spin polarizations. Net sensitivity enhancements with biradical and tetraradical dopants, taking into account absolute 13C NMR signal amplitudes and build-up times, are approximately 2-4 times lower than with the best triradicals.

  4. Dynamic Nuclear Polarization NMR Enables the Analysis of Sn-Beta Zeolite Prepared with Natural Abundance 119Sn Precursors

    PubMed Central

    2015-01-01

    The catalytic activity of tin-containing zeolites, such as Sn-Beta, is critically dependent on the successful incorporation of the tin metal center into the zeolite framework. However, synchrotron-based techniques or solid-state nuclear magnetic resonance (ssNMR) of samples enriched with 119Sn isotopes are the only reliable methods to verify framework incorporation. This work demonstrates, for the first time, the use of dynamic nuclear polarization (DNP) NMR for characterizing zeolites containing ∼2 wt % of natural abundance Sn without the need for 119Sn isotopic enrichment. The biradicals TOTAPOL, bTbK, bCTbK, and SPIROPOL functioned effectively as polarizing sources, and the solvent enabled proper transfer of spin polarization from the radical’s unpaired electrons to the target nuclei. Using bCTbK led to an enhancement (ε) of 75, allowing the characterization of natural-abundance 119Sn-Beta with excellent signal-to-noise ratios in <24 h. Without DNP, no 119Sn resonances were detected after 10 days of continuous analysis. PMID:24697321

  5. High-field dissolution dynamic nuclear polarization of [1-(13)C]pyruvic acid.

    PubMed

    Yoshihara, Hikari A I; Can, Emine; Karlsson, Magnus; Lerche, Mathilde H; Schwitter, Juerg; Comment, Arnaud

    2016-05-14

    [1-(13)C]pyruvate is the most widely used hyperpolarized metabolic magnetic resonance imaging agent. Using a custom-built 7.0 T polarizer operating at 1.0 K and trityl radical-doped [1-(13)C]pyruvic acid, unextrapolated solution-state (13)C polarization greater than 60% was measured after dissolution and rapid transfer to a spectrometer magnet, demonstrating the signal enhancement attainable using optimized hardware. Slower rates of polarization under these conditions can be largely overcome with higher radical concentrations. PMID:27093499

  6. Dynamics of cross polarization in solid state nuclear magnetic resonance experiments of amorphous and heterogeneous natural organic substances.

    PubMed

    Conte, Pellegrino; Berns, Anne E

    2008-09-01

    Nuclear magnetic resonance (NMR) experiments on carbon-13 in the solid state were done with cross polarization (CP) and magic angle spinning (MAS) in order to overcome the low NMR sensitivity of (13)C and the chemical shift anisotropy, respectively. In the present research, CPMAS (13)C-NMR spectra were collected by modulating the contact time needed for cross polarization (variable contact times experiments, VCT) on two different humic acids (a soil-HA and a coal-HA). VCT data were fitted by a model containing either a monotonic or a non-monotonic cross polarization term. The non-monotonic model, which fitted the experimental results better than the monotonic one, provided two cross-polarization rates, thereby suggesting that two different mechanisms for the energy transfer from protons to carbons arise in amorphous and heterogeneous humic substances. The first mechanism was a fast proton-to-carbon energy transfer due to protons directly bound to carbons. The second mechanism was related to a slow transfer mediated by local segmental motions. Different domains in the humic acids were identified. Soil-HA was made of rigid domains, containing mainly aromatic and carboxylic moieties, and fast moving domains, containing alkyl, C-O and C-O groups. Coal-HA showed a rigid aromatic domain that was differentiated from a very mobile domain made of alkyl and COOH groups. PMID:18781033

  7. Monitoring microbial growth and activity using spectral induced polarization and low-field nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Zhang, Chi; Keating, Kristina; Revil, Andre

    2015-04-01

    Microbes and microbial activities in the Earth's subsurface play a significant role in shaping subsurface environments and are involved in environmental applications such as remediation of contaminants in groundwater and oil fields biodegradation. Stimulated microbial growth in such applications could cause wide variety of changes of physical/chemical properties in the subsurface. It is critical to monitor and determine the fate and transportation of microorganisms in the subsurface during such applications. Recent geophysical studies demonstrate the potential of two innovative techniques, spectral induced polarization (SIP) and low-field nuclear magnetic resonance (NMR), for monitoring microbial growth and activities in porous media. The SIP measures complex dielectric properties of porous media at low frequencies of exciting electric field, and NMR studies the porous structure of geologic media and characterizes fluids subsurface. In this laboratory study, we examined both SIP and NMR responses from bacterial growth suspension as well as suspension mixed with silica sands. We focus on the direct contribution of microbes to the SIP and NMR signals in the absence of biofilm formation or biomineralization. We used Zymomonas mobilis and Shewanella oneidensis (MR-1) for SIP and NMR measurements, respectively. The SIP measurements were collected over the frequency range of 0.1 - 1 kHz on Z. mobilis growth suspension and suspension saturated sands at different cell densities. SIP data show two distinct peaks in imaginary conductivity spectra, and both imaginary and real conductivities increased as microbial density increased. NMR data were collected using both CPMG pulse sequence and D-T2 mapping to determine the T2-distribution and diffusion properties on S. oneidensis suspension, pellets (live and dead), and suspension mixed with silica sands. NMR data show a decrease in the T2-distribution in S. oneidensis suspension saturated sands as microbial density increase. A

  8. Proceedings of the LAMPF workshop on physics with polarized nuclear targets

    SciTech Connect

    Burleson, G.; Gibbs, W.; Hoffmann, G.; Jarmer, J.J.; Tanaka, N.

    1986-08-01

    Topics of discussion included static and dynamic methods for polarizing nuclei, proton and pion nucleus scattering experiments, and possible future experiments at LAMPF. Separate abstracts were prepared for 11 papers in this report. (DWL)

  9. Development of Neutron Polarization Measurement System for Studying NN interaction in Nuclear Medium

    NASA Astrophysics Data System (ADS)

    Yasuda, J.; Wakasa, T.; Dozono, M.; Fukunaga, T.; Gotanda, S.; Hatanaka, K.; Kanaya, Y.; Maeda, Y.; Maeda, Y.; Miki, K.; Nishio, Y.; Noro, T.; Ohnaka, K.; Sakaguchi, S.; Sakemi, Y.; Sekiguchi, K.; Tamii, A.; Taguchi, T.; Wada, Y.

    2016-02-01

    We have developed the neutron polarization measurement system to perform the first polarization-transfer measurement for the exclusive (p,np) reaction. For the neutron polarization measurement, we have reconstructed the neutron polarimeter NPOL3. The NPOL3 system has been calibrated by using the polarized neutron from the 2H(p→,n→) reaction, and the resulting effective analyzing power is Ay:eff = 0.127. For the exclusive measurement, the Large Acceptance Spectrometer (LAS) has been used for the recoil proton detection. The energy resolution of 6 MeV is achieved for separation energy, which is sufficient to separate the 1s and 1p orbits for light nuclei.

  10. Two-dimensional (13)C-(13)C correlation spectroscopy with magic angle spinning and dynamic nuclear polarization.

    PubMed

    Rosay, Melanie; Weis, Volker; Kreischer, Kenneth E; Temkin, Richard J; Griffin, Robert G

    2002-04-01

    The sensitivity of solid-state NMR experiments can be enhanced with dynamic nuclear polarization (DNP), a technique that transfers the high Boltzmann polarization of unpaired electrons to nuclei. Signal enhancements of up to 23 have been obtained for magic angle spinning (MAS) experiments at 5 T and 85-90 K using a custom-designed high-power gyrotron. The extended stability of MAS/DNP experiments at low temperature is demonstrated with (1)H-driven (13)C spin-diffusion experiments on the amino acid proline. These (13)C-(13)C chemical shift correlation spectra are the first two-dimensional MAS/DNP experiments performed at high field (>1.4 T). PMID:11916398

  11. Quantum Nuclear Dynamics Pumped and Probed by Ultrafast Polarization Controlled Steering of a Coherent Electronic State in LiH.

    PubMed

    Nikodem, Astrid; Levine, R D; Remacle, F

    2016-05-19

    The quantum wave packet dynamics following a coherent electronic excitation of LiH by an ultrashort, polarized, strong one-cycle infrared optical pulse is computed on several electronic states using a grid method. The coupling to the strong field of the pump and the probe pulses is included in the Hamiltonian used to solve the time-dependent Schrodinger equation. The polarization of the pump pulse allows us to control the localization in time and in space of the nonequilibrium coherent electronic motion and the subsequent nuclear dynamics. We show that transient absorption, resulting from the interaction of the total molecular dipole with the electric fields of the pump and the probe, is a very versatile probe of the different time scales of the vibronic dynamics. It allows probing both the ultrashort, femtosecond time scale of the electronic coherences as well as the longer dozens of femtoseconds time scales of the nuclear motion on the excited electronic states. The ultrafast beatings of the electronic coherences in space and in time are shown to be modulated by the different periods of the nuclear motion. PMID:26928262

  12. Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves

    SciTech Connect

    Thurber, Kent R. Tycko, Robert

    2014-05-14

    We report solid state {sup 13}C and {sup 1}H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, {sup 1}H and cross-polarized {sup 13}C NMR signals from {sup 15}N,{sup 13}C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T{sub 1e} is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations.

  13. Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves

    PubMed Central

    Thurber, Kent R.; Tycko, Robert

    2014-01-01

    We report solid state 13C and 1H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, 1H and cross-polarized 13C NMR signals from 15N,13C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T1e is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations. PMID:24832263

  14. Comparative study of nuclear effects in polarized electron scattering from 3 He

    SciTech Connect

    Ethier, J. J.; Melnitchouk, W.

    2013-11-01

    We present a detailed analysis of nuclear effects in inclusive electron scattering from polarized 3He nuclei for polarization asymmetries, structure functions and their moments, both in the nucleon resonance and deep-inelastic regions. We compare the results of calculations within the weak binding approximation at finite Q2 with the effective polarization ansatz often used in experimental data analyses, and explore the impact of Δ components in the nuclear wave function and nucleon off-shell corrections on extractions of the free neutron structure. Using the same framework we also make predictions for the Q2 dependence of quasielastic scattering from polarized 3He, data on which can be used to constrain the spin-dependent nuclear smearing functions in 3He.

  15. Polarized Raman investigations of oriented animal muscle fibers affected by storage time applying a 671 nm diode laser

    NASA Astrophysics Data System (ADS)

    Al Ebrahim, Halah; Sowoidnich, Kay; Schmidt, Heinar; Kronfeldt, Heinz-Detlef

    2011-06-01

    Due to its analytical ability and sensitivity to molecular vibrations, Raman spectroscopy provides valuable information of the secondary structure of proteins. Moreover, polarized Raman spectroscopy is shown to be a useful instrument to investigate the structural changes resulting from the aging and spoilage process of meat. In this work, polarized Raman spectra were measured on oriented cuts of pork and turkey. Fresh meat slices were stored at 5 °C and measured for a consecutive time period of 10 days. A 671 nm microsystem diode laser was used as excitation light source. The laser power at the sample was 50 mW and the integration time of each Raman spectrum was set to 5 seconds. Measurements were performed with a laser beam orientation perpendicular to the long axis of the muscle fibers. In that arrangement, the fibers were aligned either parallel or perpendicular to the polarization direction of the laser source. By using the statistical method of principal components analysis (PCA), a clear separation of the meat samples can be found for fresh meat according to the orientation (parallel or perpendicular) using the first two principal components. During the storage period, this separation subsequently vanishes due to the aging process and due to an increase of the microbial spoilage of the meat surface. For the latter effect, a time-dependent distinction of the Raman spectra is presented as well. Furthermore, specific changes of conformation-sensitive Raman bands were recognized, notably a decrease of the intensities of α-helical protein conformation.

  16. 187Re - 187Os Nuclear Geochronometry: A New Dating Method Applied to Old Ores

    NASA Astrophysics Data System (ADS)

    Roller, Goetz

    2015-04-01

    187Re - 187Os nuclear geochronometry is a newly developed dating method especially (but not only) for PGE hosting magmatic ore deposits. It combines ideas of nuclear astrophysics with geochronology. For this, the concept of sudden nucleosynthesis [1-3] is used to calculate so-called nucleogeochronometric Rhenium-Osmium two-point-isochrone (TPI) ages. Here, the method is applied to the Sudbury Igneous Complex (SIC) and the Stillwater Complex (SC), using a set of two nuclear geochronometers. They are named the BARBERTON ( Re/Os = 0.849, 187Os/186Os = 10.04 ± 0.015 [4]) and the IVREA (Re/Os = 0.951, 187Os/186Os = 1.9360 ± 0.0015 [5]) nuclear geochronometer. Calculated TPI ages are consistent with results from Sm-Nd geochronology, a previously published Re-Os Molybdenum age of 2740 ± 80 Ma for the G-chromitite of the SC [6] and a Re-Os isochrone age of 1689 ± 160 Ma for the Strathcona ores of the SIC [7]. This leads to an alternative explanation of the peculiar and enigmatic 187Os/186Osi isotopic signatures reported from both ore deposits. For example, for a TPI age of 2717 ± 100 Ma the Ultramafic Series of the SC contains both extremely low (subchrondritic) 187Os/186Osi ratios (187Os/186Osi = 0.125 ± 0.067) and extremely radiogenic isotopic signatures (187Os/186Osi = 6.55 ± 1.7, [6]) in mineral separates (chromites) and whole rock samples, respectively. Within the Strathcona ores of the SIC, even more pronounced radiogenic 187Os/186Os initial ratios can be calculated for TPI ages between 1586 ± 63 Ma (187Os/186Osi = 8.998 ± 0.045) and 1733 ± 84 Ma (187Os/186Osi = 8.901 ± 0.059). These results are in line with the recalculated Re-Os isochrone age of 1689 ± 160 Ma (187Os/186Osi = 8.8 ± 2.3 [7]). In the light of nuclear geochronometry, the occurrence of such peculiar isotopic 187Os/186Osi signatures within one and the same lithological horizon are plausible if explained by mingling of the two nucleogeochronometric (BARBERTON and IVREA) reservoirs containing

  17. Enhancement of the Two-Dimensional Conduction Electron Zeeman Energy Near v=1 by Optical Dynamic Nuclear Polarization

    SciTech Connect

    Bowers, C.R.; Reno, J.L.; Simmons, J.A.; Vitkalov, S.A.

    1998-11-06

    Enhancement of the Zeeman energy of 2D conduction electrons near v = 1 by optical dynamic nuclear polarization (lINP), as observed by the Overhauser shift of the transport detected electron spin resonance, is measured quantitatively for the first time in GaAs/AIGaAs mukiquantum wells. The NMR signal enhancement is obtained under similar conditions in the same sample, allowing the hyperke coupling constant of 3.7T between between the nuclei and 2D conduction electrons to be measured for the first time. The potential to suppress the Zeeman energy by optical DNP is discussed in the context of its potential influence on Skyrmion formation.

  18. Nuclear recoil and vacuum-polarization effects on the binding energies of supercritical H-like ions

    NASA Astrophysics Data System (ADS)

    Aleksandrov, Ivan A.; Plunien, Günter; Shabaev, Vladimir M.

    2016-01-01

    The Dirac Hamiltonian including nuclear recoil and vacuum-polarization operators is considered in a supercritical regime Z> 137. It is found that the nuclear recoil operator derived within the Breit approximation "regularizes" the Hamiltonian for the point-nucleus model and allows the ground state level to go continuously down and reach the negative energy continuum at a critical value Zcr ≈ 145. If the Hamiltonian contains both the recoil operator and the Uehling potential, the 1s level reaches the negative energy continuum at Zcr ≈ 144. The corresponding calculations for the excited states have been also performed. This study shows that, in contrast to previous investigations, a point-like nucleus can have effectively the charge Z> 137.

  19. The Stewardship Science Academic Alliance: A Model of Education for Fundamental and Applied Low-energy Nuclear Science

    NASA Astrophysics Data System (ADS)

    Cizewski, J. A.

    2014-06-01

    The Stewardship Science Academic Alliances (SSAA) were inaugurated in 2002 by the National Nuclear Security Administration of the U. S. Department of Energy. The purpose is to enhance connections between NNSA laboratories and the activities of university scientists and their students in research areas important to NNSA, including low-energy nuclear science. This paper highlights some of the ways that the SSAA fosters education and training of graduate students and postdoctoral scholars in low-energy nuclear science, preparing them for careers in fundamental and applied research and development.

  20. Applied Nuclear Accountability Systems: A Case Study in the System Architecture and Development of NuMAC

    SciTech Connect

    Campbell, Andrea Beth

    2004-07-01

    This is a case study of the NuMAC nuclear accountability system developed at a private fuel fabrication facility. This paper investigates nuclear material accountability and safeguards by researching expert knowledge applied in the system design and development. Presented is a system developed to detect and deter the theft of weapons grade nuclear material. Examined is the system architecture that includes: issues for the design and development of the system; stakeholder issues; how the system was built and evolved; software design, database design, and development tool considerations; security and computing ethics. (author)

  1. The Stewardship Science Academic Alliance: A Model of Education for Fundamental and Applied Low-energy Nuclear Science

    SciTech Connect

    Cizewski, J.A.

    2014-06-15

    The Stewardship Science Academic Alliances (SSAA) were inaugurated in 2002 by the National Nuclear Security Administration of the U. S. Department of Energy. The purpose is to enhance connections between NNSA laboratories and the activities of university scientists and their students in research areas important to NNSA, including low-energy nuclear science. This paper highlights some of the ways that the SSAA fosters education and training of graduate students and postdoctoral scholars in low-energy nuclear science, preparing them for careers in fundamental and applied research and development.

  2. IAEA advisory group meeting on basic and applied problems of nuclear level densities

    SciTech Connect

    Bhat, M.R.

    1983-06-01

    Separate entries were made in the data base for 17 of the 19 papers included. Two papers were previously included in the data base. Workshop reports are included on (1) nuclear level density theories and nuclear model reaction cross-section calculations and (2) extraction of nuclear level density information from experimental data. (WHK)

  3. Applied nuclear data research and development. Semiannual progress report, April 1-September 30, 1983

    SciTech Connect

    Arthur, E.D.

    1984-06-01

    This progress report describes the activities of the Los Alamos Nuclear Data Group for April 1, 1983 through September 30, 1983. Topics covered include theory and evaluation of nuclear cross sections; nuclear cross-section processing and testing; neutron activation; fission products, and actinides; and core neutronics code development in support of LMFBR carbide core assessment. (GHT)

  4. Hybrid Technique in SCALE for Fission Source Convergence Applied to Used Nuclear Fuel Analysis

    SciTech Connect

    Ibrahim, Ahmad M; Peplow, Douglas E.; Bekar, Kursat B; Celik, Cihangir; Scaglione, John M; Ilas, Dan; Wagner, John C

    2013-01-01

    The new hybrid SOURCE ConveRgence accelERator (SOURCERER) sequence in SCALE deterministically computes a fission distribution and uses it as the starting source in a Monte Carlo eigenvalue criticality calculation. In addition to taking the guesswork out of defining an appropriate, problem-dependent starting source, the more accurate starting source provided by the deterministic calculation decreases the probability of producing inaccurate tally estimates associated with undersampling problems caused by inadequate source convergence. Furthermore, SOURCERER can increase the efficiency of the overall simulation by decreasing the number of cycles that has to be skipped before the keff accumulation. SOURCERER was applied to a representative example for a used nuclear fuel cask utilized at the Maine Yankee storage site {Scaglione and Ilas}. Because of the time constraints of the Used Fuel Research, Development, and Demonstration project, it was found that using more than 30,000 neutrons per cycle will lead to inaccurate Monte Carlo calculation of keff due to the inevitable decrease in the number of skipped and active cycles used with this problem. For a fixed uncertainty objective and by using 30,000 neutron per cycle, the use of SOURCERER increased the efficiency of the keff calculation by 60%compared to a Monte Carlo calculation that used a starting source distributed uniformly in fissionable regions, even with the inclusion of the extra computational time required by the deterministic calculation. Additionally, the use of SOURCERER increased the reliability of keff calculation using any number of skipped cycles below 350.

  5. Impact of Ho(3+)-doping on (13)C dynamic nuclear polarization using trityl OX063 free radical.

    PubMed

    Kiswandhi, Andhika; Niedbalski, Peter; Parish, Christopher; Kaur, Pavanjeet; Martins, André; Fidelino, Leila; Khemtong, Chalermchai; Song, Likai; Sherry, A Dean; Lumata, Lloyd

    2016-08-21

    We have investigated the effects of Ho-DOTA doping on the dynamic nuclear polarization (DNP) of [1-(13)C] sodium acetate using trityl OX063 free radical at 3.35 T and 1.2 K. Our results indicate that addition of 2 mM Ho-DOTA on 3 M [1-(13)C] sodium acetate sample in 1 : 1 v/v glycerol : water with 15 mM trityl OX063 improves the DNP-enhanced (13)C solid-state nuclear polarization by a factor of around 2.7-fold. Similar to the Gd(3+) doping effect on (13)C DNP, the locations of the positive and negative (13)C maximum polarization peaks in the (13)C microwave DNP sweep are shifted towards each other with the addition of Ho-DOTA on the DNP sample. W-band electron spin resonance (ESR) studies have revealed that while the shape and linewidth of the trityl OX063 ESR spectrum was not affected by Ho(3+)-doping, the electron spin-lattice relaxation time T1 of trityl OX063 was prominently reduced at cryogenic temperatures. The reduction of trityl OX063 electron T1 by Ho-doping is linked to the (13)C DNP improvement in light of the thermodynamic picture of DNP. Moreover, the presence of Ho-DOTA in the dissolution liquid at room temperature has negligible reduction effect on liquid-state (13)C T1, in contrast to Gd(3+)-doping which drastically reduces the (13)C T1. The results here suggest that Ho(3+)-doping is advantageous over Gd(3+) in terms of preservation of hyperpolarized state-an important aspect to consider for in vitro and in vivo NMR or imaging (MRI) experiments where a considerable preparation time is needed to administer the hyperpolarized (13)C liquid. PMID:27424954

  6. Applying the data fusion method to evaluation of the performance of two control signals in monitoring polarization mode dispersion effects in fiber optic links

    NASA Astrophysics Data System (ADS)

    Dashtbani Moghari, M.; Rezaei, P.; Habibalahi, A.

    2015-02-01

    With increasing distance and bit rate in fiber optic links the effects of polarization mode dispersion (PMD) have been highlighted. Since PMD has a statistical nature, using a control signal that can provide accurate information to dynamically tune a PMD compensator is of great importance. In this paper, we apply the data fusion method with the aim of introducing a method that can be used to evaluate more accurately the performance of control signals before applying them in a PMD compensation system. Firstly, the minimum and average degree of polarization (DOP_min and DOP_ave respectively) as control signals in monitoring differential group delay (DGD) for a system including all-order PMD are calculated. Then, features including the amounts of sensitivity and ambiguity in DGD monitoring are calculated for NRZ data format as DGD to bit time (DGD/T) varies. It is shown that each of the control signals mentioned has both positive and negative features for efficient DGD monitoring. Therefore, in order to evaluate features concurrently and increase reliability, we employ data fusion to fuse features of each control signal, which makes evaluating and predicting the performance of control signals possible, before applying them in a real PMD compensation system. Finally, the reliability of the results obtained from data fusion is tested in a typical PMD compensator.

  7. Near-unity nuclear polarization with an open-source 129Xe hyperpolarizer for NMR and MRI

    PubMed Central

    Nikolaou, Panayiotis; Coffey, Aaron M.; Walkup, Laura L.; Gust, Brogan M.; Whiting, Nicholas; Newton, Hayley; Barcus, Scott; Muradyan, Iga; Dabaghyan, Mikayel; Moroz, Gregory D.; Rosen, Matthew S.; Patz, Samuel; Barlow, Michael J.; Chekmenev, Eduard Y.; Goodson, Boyd M.

    2013-01-01

    The exquisite NMR spectral sensitivity and negligible reactivity of hyperpolarized xenon-129 (HP129Xe) make it attractive for a number of magnetic resonance applications; moreover, HP129Xe embodies an alternative to rare and nonrenewable 3He. However, the ability to reliably and inexpensively produce large quantities of HP129Xe with sufficiently high 129Xe nuclear spin polarization (PXe) remains a significant challenge—particularly at high Xe densities. We present results from our “open-source” large-scale (∼1 L/h) 129Xe polarizer for clinical, preclinical, and materials NMR and MRI research. Automated and composed mostly of off-the-shelf components, this “hyperpolarizer” is designed to be readily implementable in other laboratories. The device runs with high resonant photon flux (up to 200 W at the Rb D1 line) in the xenon-rich regime (up to 1,800 torr Xe in 500 cc) in either single-batch or stopped-flow mode, negating in part the usual requirement of Xe cryocollection. Excellent agreement is observed among four independent methods used to measure spin polarization. In-cell PXe values of ∼90%, ∼57%, ∼50%, and ∼30% have been measured for Xe loadings of ∼300, ∼500, ∼760, and ∼1,570 torr, respectively. PXe values of ∼41% and ∼28% (with ∼760 and ∼1,545 torr Xe loadings) have been measured after transfer to Tedlar bags and transport to a clinical 3 T scanner for MR imaging, including demonstration of lung MRI with a healthy human subject. Long “in-bag” 129Xe polarization decay times have been measured (T1 ∼38 min and ∼5.9 h at ∼1.5 mT and 3 T, respectively)—more than sufficient for a variety of applications. PMID:23946420

  8. A combination of dynamic light scattering and polarized resonance Raman scattering applied in the study of Arenicola Marina extracellular hemoglobin

    NASA Astrophysics Data System (ADS)

    Jernshøj, K. D.; Hassing, S.; Olsen, L. F.

    2013-08-01

    Arenicola Marina extracellular hemoglobin (Hbl Hb) is considered to be a promising candidate as a blood substitute. To entangle some of the properties of extracellular giant hexagonal bilayer hemoglobin (Hbl Hb) of Arenicola Marina, we combined polarized resonance Raman scattering (532 nm excitation) with dynamic light scattering (DLS) (632.8 nm). An analysis of the depolarization ratio of selected a2g skeletal modes of the heme in native Hbl Hb and porcine Hb, shows that the distortion of the heme group away from its ideal fourfold symmetry is much smaller for heme groups bound in the Hbl Hb than for heme groups bound in porcine Hb. Using DLS, the average hydrodynamic diameter (⟨dh⟩) of Hbl Hb was measured at pH = 5, 7, 8, 9, and 10. At pH = 5 to 7, the Hbl Hb was found in its native form with ⟨dh⟩ equal to 24.2 nm, while at pH = 8 and 9, a dissociation process starts to take place resulting in ⟨dh⟩ = 9 nm. At pH = 10, only large aggregates of fragmented Hbl Hb with ⟨dh⟩ larger than 1000 nm was detected, however, a comparison of the DLS results with the polarized resonance Raman scattering (RRS) revealed that the coupling between the fragments did not involve direct interaction between the heme groups, but also that the local heme environment seems to be comparable in the aggregates and in the native Hbl Hb. By comparing the unpolarized RRS results obtained for erythrocytes (RBC) with those for Hbl Hb, led us to the important conclusion that Hbl Hb is much easier photolyzed than porcine RBC.

  9. Spin-polarized /sup 3/He nuclear targets and metastable /sup 4/He atoms by optical pumping with a tunable, Nd:YAP laser

    SciTech Connect

    Bohler, C.L.; Schearer, L.D.; Leduc, M.; Nacher, P.J.; Zachorowski, L.; Milner, R.G.; McKeown, R.D.; Woodward, C.E.

    1988-04-15

    Several Nd:YAP lasers were constructed which could be broadly tuned in the 1083-nm region which includes the helium 2/sup 3/S-2/sup 3/P transition, using a Lyot filter and thin, uncoated etalons within the laser cavity. 1 W of power could be extracted at 1083 nm through a 1% transmitting output coupler. This laser beam was used to optically pump metastable /sup 4/He and /sup 3/He 2/sup 3/S helium atoms in a weak discharge cell, spin polarizing the metastable ensemble. In a /sup 3/He cell the polarization is transferred to the nuclear spin system. A /sup 3/He target cell at 0.3 Torr was polarized to 52% in a few minutes. We describe the application of this system to the design of polarized targets for experiments in nuclear physics.

  10. Inhomogeneous nuclear spin polarization induced by helicity-modulated optical excitation of fluorine-bound electron spins in ZnSe

    NASA Astrophysics Data System (ADS)

    Heisterkamp, F.; Greilich, A.; Zhukov, E. A.; Kirstein, E.; Kazimierczuk, T.; Korenev, V. L.; Yugova, I. A.; Yakovlev, D. R.; Pawlis, A.; Bayer, M.

    2015-12-01

    Optically induced nuclear spin polarization in a fluorine-doped ZnSe epilayer is studied by time-resolved Kerr rotation using resonant excitation of donor-bound excitons. Excitation with helicity-modulated laser pulses results in a transverse nuclear spin polarization, which is detected as a change of the Larmor precession frequency of the donor-bound electron spins. The frequency shift in dependence on the transverse magnetic field exhibits a pronounced dispersion-like shape with resonances at the fields of nuclear magnetic resonance of the constituent zinc and selenium isotopes. It is studied as a function of external parameters, particularly of constant and radio frequency external magnetic fields. The width of the resonance and its shape indicate a strong spatial inhomogeneity of the nuclear spin polarization in the vicinity of a fluorine donor. A mechanism of optically induced nuclear spin polarization is suggested based on the concept of resonant nuclear spin cooling driven by the inhomogeneous Knight field of the donor-bound electron.

  11. NMR Investigation of Optical Polarization of Nuclear Spins in GaAs

    NASA Astrophysics Data System (ADS)

    Paravastu, Anant; Hayes, Sophia; Schwickert, Birgit; Reimer, Jeffrey; Dinh, Long; Balooch, Mehdi

    2003-03-01

    Light-induced nuclear spin alignments have been measured in GaAs as a function of photon energy, irradiation time, and sample temperature using NMR spectroscopy at 9.4 Tesla and 10 to 50 K. Significant optical enhancements were observed at a range of photon energies, starting just below the band gap and persisting through 100 meV above the gap. Irradiation above the band gap resulted in thermally activated NMR signal enhancements while sub band gap irradiation did not. Short and long irradiation time dependencies revealed insights into the nature of cross relaxation between electronic nuclear spins, contradicting mechanisms based on either localized electron-nuclear contact at defect sites or cross relaxation between nuclei and free electrons. We propose that the presence of a mobile or delocalized enabling electronic species characterized by a long electron-nuclear correlation time, such as an exciton, is necessary in any mechanism which explains the data.

  12. Applied nuclear science research and development progress report, June 1, 1985-November 30, 1985

    SciTech Connect

    Arthur, E.D.; Mutschlecner, A.D.

    1986-04-01

    This six month progress report reviews activities in nuclear reaction research. Specific content includes theory and evaluation of nuclear cross sections for neutron, proton, and deuteron reactions for a number of isotopes; the processing and testing of nuclear cross section data; studies of neutron activation, fission products and actinides; and short notes on applications. Data are included in graphic and tabular form and include experimental, evaluated, and theoretical calculations and spectra. 136 refs., 81 figs., 17 tabs. (DWL)

  13. Polarized Solid Targets:. Recent Progress and Future Prospects

    NASA Astrophysics Data System (ADS)

    Keith, C. D.

    2011-01-01

    Polarized targets, both solid and gas, are in ever-increasing demand for nuclear scattering experiments. On top of this, the technology for producing these targets is now being applied in other fields, such as materials science and medical research. In this article the author will review recent advances that have been made in the arena of solid polarized targets.

  14. Characterization of a nuclear compartment shared by nuclear bodies applying ectopic protein expression and correlative light and electron microscopy

    SciTech Connect

    Richter, Karsten; Reichenzeller, Michaela; Goerisch, Sabine M.; Schmidt, Ute; Scheuermann, Markus O.; Herrmann, Harald; Lichter, Peter . E-mail: m.macleod@dkfz.de

    2005-02-01

    To investigate the accessibility of interphase nuclei for nuclear body-sized particles, we analyzed in cultured cells from human origin by correlative fluorescence and electron microscopy (EM) the bundle-formation of Xenopus-vimentin targeted to the nucleus via a nuclear localization signal (NLS). Moreover, we investigated the spatial relationship of speckles, Cajal bodies, and crystalline particles formed by Mx1 fused to yellow fluorescent protein (YFP), with respect to these bundle arrays. At 37 deg C, the nucleus-targeted, temperature-sensitive Xenopus vimentin was deposited in focal accumulations. Upon shift to 28 deg C, polymerization was induced and filament arrays became visible. Within 2 h after temperature shift, arrays were found to be composed of filaments loosely embedded in the nucleoplasm. The filaments were restricted to limited areas of the nucleus between focal accumulations. Upon incubation at 28 deg C for several hours, NLS vimentin filaments formed bundles looping throughout the nuclei. Speckles and Cajal bodies frequently localized in direct neighborhood to vimentin bundles. Similarly, small crystalline particles formed by YFP-tagged Mx1 also located next to vimentin bundles. Taking into account that nuclear targeted vimentin locates in the interchromosomal domain (ICD), we conclude that nuclear body-sized particles share a common nuclear space which is controlled by higher order chromatin organization.

  15. Photochemically Induced Dynamic Nuclear Polarization Observed by Solid-State NMR in a Uniformly (13)C-Isotope-Labeled Photosynthetic Reaction Center.

    PubMed

    Paul, Shubhajit; Bode, Bela E; Matysik, Jörg; Alia, A

    2015-10-29

    A sample of solubilized and quinone-depleted reaction centers from the purple bacterium Rhodobacter (R.) sphaeroides wild type has been prepared entirely (13)C and (15)N isotope labeled at all positions of the protein as well as of the cofactors. In this sample, the occurrence of the solid-state photo-CIDNP (photochemically induced dynamic nuclear polarization) effect has been probed by (13)C solid-state magic-angle spinning NMR under illumination. Under continuous illumination, signal intensities are modified by the three-spin mixing (TSM) mechanism. Time-resolved illumination experiments reveal the occurrence of light-induced nuclear polarization on the time scale of hundreds of microseconds, initially dominated by the transient polarization of the singlet branch of the radical-pair mechanism. A first kinetic analysis shows that the lifetime of the polarization from the singlet branch, indicated by the enhanced absorptive intensities of the signals from aliphatic carbons, is significantly extended. Upon arrival of the polarization from the triplet decay branch, emissive polarization caused by the TSM mechanism is observed. Also, this arrival is significantly delayed. The decay of TSM polarization occurs in two steps, assigned to intra- and intermolecular spin diffusion. PMID:26110356

  16. Force acting on a dielectric particle in a concentration gradient by ionic concentration polarization under an externally applied DC electric field.

    PubMed

    Kang, Kwan Hyoung; Li, Dongqing

    2005-06-15

    There is a concentration-polarization (CP) force acting on a particle submerged in an electrolyte solution with a concentration (conductivity) gradient under an externally applied DC electric field. This force originates from the two mechanisms: (i) gradient of electrohydrodynamic pressure around the particle developed by the Coulombic force acting on induced free charges by the concentration polarization, and (ii) dielectric force due to nonuniform electric field induced by the conductivity gradient. A perturbation analysis is performed for the electric field, the concentration field, and the hydrodynamic field, under the assumptions of creeping flow and small concentration gradient. The leading order component of this force acting on a dielectric spherical particle is obtained by integrating the Maxwell and the hydrodynamic stress tensors. The analytical results are validated by comparing the surface pressure and the skin friction to those of a numerical analysis. The CP force is proportional to square of the applied electric field, effective for electrically neutral particles, and always directs towards the region of higher ionic concentration. The magnitude of the CP force is compared to that of the electrophoretic and the conventional dielectrophoretic forces. PMID:15897097

  17. Nuclear reactor power as applied to a space-based radar mission

    NASA Technical Reports Server (NTRS)

    Jaffe, L.; Beatty, R.; Bhandari, P.; Chow, E.; Deininger, W.; Ewell, R.; Fujita, T.; Grossman, M.; Bloomfield, H.; Heller, J.

    1988-01-01

    A space-based radar mission and spacecraft are examined to determine system requirements for a 300 kWe space nuclear reactor power system. The spacecraft configuration and its orbit, launch vehicle, and propulsion are described. Mission profiles are addressed, and storage in assembly orbit is considered. Dynamics and attitude control and the problems of nuclear and thermal radiation are examined.

  18. Nuclear Receptor Nr4a2 Promotes Alternative Polarization of Macrophages and Confers Protection in Sepsis*♦

    PubMed Central

    Mahajan, Sahil; Saini, Ankita; Chandra, Vemika; Nanduri, Ravikanth; Kalra, Rashi; Bhagyaraj, Ella; Khatri, Neeraj; Gupta, Pawan

    2015-01-01

    The orphan nuclear receptor Nr4a2 is known to modulate both inflammatory and metabolic processes, but the mechanism by which it regulates innate inflammatory homeostasis has not been adequately addressed. This study shows that exposure to ligands for Toll-like receptors (TLRs) robustly induces Nr4a2 and that this induction is tightly regulated by the PI3K-Akt signaling axis. Interestingly, exogenous expression of Nr4a2 in macrophages leads to their alternative phenotype with induction of genes that are prototypical M2 markers. Moreover, Nr4a2 transcriptionally activates arginase 1 expression by directly binding to its promoter. Adoptive transfer experiments revealed that increased survival of animals in endotoxin-induced sepsis is Nr4a2-dependent. Thus our data identify a previously unknown role for Nr4a2 in the regulation of macrophage polarization. PMID:25953901

  19. Dynamic nuclear polarization enhanced nuclear magnetic resonance and electron spin resonance studies of hydration and local water dynamics in micelle and vesicle assemblies.

    PubMed

    McCarney, Evan R; Armstrong, Brandon D; Kausik, Ravinath; Han, Songi

    2008-09-16

    We present a unique analysis tool for the selective detection of local water inside soft molecular assemblies (hydrophobic cores, vesicular bilayers, and micellar structures) suspended in bulk water. Through the use of dynamic nuclear polarization (DNP), the (1)H NMR signal of water is amplified, as it interacts with stable radicals that possess approximately 658 times higher spin polarization. We utilized stable nitroxide radicals covalently attached along the hydrophobic tail of stearic acid molecules that incorporate themselves into surfactant-based micelle or vesicle structures. Here, we present a study of local water content and fluid viscosity inside oleate micelles and vesicles and Triton X-100 micelles to serve as model systems for soft molecular assemblies. This approach is unique because the amplification of the NMR signal is performed in bulk solution and under ambient conditions with site-specific spin labels that only detect the water that is directly interacting with the localized spin labels. Continuous wave (cw) electron spin resonance (ESR) analysis provides rotational dynamics of the spin-labeled molecular chain segments and local polarity parameters that can be related to hydration properties, whereas we show that DNP-enhanced (1)H NMR analysis of fluid samples directly provides translational water dynamics and permeability of the local environment probed by the spin label. Our technique therefore has the potential to become a powerful analysis tool, complementary to cw ESR, to study hydration characteristics of surfactant assemblies, lipid bilayers, or protein aggregates, where water dynamics is a key parameter of their structure and function. In this study, we find that there is significant penetration of water inside the oleate micelles with a higher average local water viscosity (approximately 1.8 cP) than in bulk water, and Triton X-100 micelles and oleate vesicle bilayers mostly exclude water while allowing for considerable surfactant chain

  20. An ancient role for nuclear beta-catenin in the evolution of axial polarity and germ layer segregation

    NASA Technical Reports Server (NTRS)

    Wikramanayake, Athula H.; Hong, Melanie; Lee, Patricia N.; Pang, Kevin; Byrum, Christine A.; Bince, Joanna M.; Xu, Ronghui; Martindale, Mark Q.

    2003-01-01

    The human oncogene beta-catenin is a bifunctional protein with critical roles in both cell adhesion and transcriptional regulation in the Wnt pathway. Wnt/beta-catenin signalling has been implicated in developmental processes as diverse as elaboration of embryonic polarity, formation of germ layers, neural patterning, spindle orientation and gap junction communication, but the ancestral function of beta-catenin remains unclear. In many animal embryos, activation of beta-catenin signalling occurs in blastomeres that mark the site of gastrulation and endomesoderm formation, raising the possibility that asymmetric activation of beta-catenin signalling specified embryonic polarity and segregated germ layers in the common ancestor of bilaterally symmetrical animals. To test whether nuclear translocation of beta-catenin is involved in axial identity and/or germ layer formation in 'pre-bilaterians', we examined the in vivo distribution, stability and function of beta-catenin protein in embryos of the sea anemone Nematostella vectensis (Cnidaria, Anthozoa). Here we show that N. vectensis beta-catenin is differentially stabilized along the oral-aboral axis, translocated into nuclei in cells at the site of gastrulation and used to specify entoderm, indicating an evolutionarily ancient role for this protein in early pattern formation.

  1. Dynamic nuclear polarization study of inhibitor binding to the M2(18-60) proton transporter from influenza A.

    PubMed

    Andreas, Loren B; Barnes, Alexander B; Corzilius, Björn; Chou, James J; Miller, Eric A; Caporini, Marc; Rosay, Melanie; Griffin, Robert G

    2013-04-23

    We demonstrate the use of dynamic nuclear polarization (DNP) to elucidate ligand binding to a membrane protein using dipolar recoupling magic angle spinning (MAS) NMR. In particular, we detect drug binding in the proton transporter M2(18-60) from influenza A using recoupling experiments at room temperature and with cryogenic DNP. The results indicate that the pore binding site of rimantadine is correlated with previously reported widespread chemical shift changes, suggesting functional binding in the pore. Futhermore, the (15)N-labeled ammonium of rimantadine was observed near A30 (13)Cβ and G34 (13)Cα, suggesting a possible hydrogen bond to A30 carbonyl. Cryogenic DNP was required to observe the weaker external binding site(s) in a ZF-TEDOR spectrum. This approach is generally applicable, particularly for weakly bound ligands, in which case the application of MAS NMR dipolar recoupling requires the low temperatures to quench dynamic exchange processes. For the fully protonated samples investigated, we observed DNP signal enhancements of ~10 at 400 MHz using only 4-6 mM of the polarizing agent TOTAPOL. At 600 MHz and with DNP, we measured a distance between the drug and the protein to a precision of 0.2 Å. PMID:23480101

  2. Dynamic Nuclear Polarization Study of Inhibitor Binding to the M218–60 Proton Transporter from Influenza A

    PubMed Central

    Andreas, Loren B.; Barnes, Alexander B.; Corzilius, Björn; Chou, James J.; Miller, Eric A.; Caporini, Marc; Rosay, Melanie; Griffin, Robert G

    2013-01-01

    We demonstrate the use of dynamic nuclear polarization (DNP) to elucidate ligand binding to a membrane protein using dipolar recoupling magic angle spinning (MAS) NMR. In particular, we detect drug binding in the proton transporter M218–60 from influenza A using recoupling experiments at room temperature and with cryogenic DNP. The results indicate that the pore binding site of rimantadine is correlated with previously reported widespread chemical shift changes, suggesting functional binding in the pore. Futhermore, the 15N labeled ammonium of rimantadine was observed near A30 13Cβ and G34 13Cα suggesting a possible hydrogen bond to A30 Carbonyl. Cryogenic DNP was required to observe the weaker external binding site(s) in a ZF-TEDOR spectrum. This approach is generally applicable, particularly for weakly bound ligands, in which case the application of MAS NMR dipolar recoupling requires the low temperatures to quench dynamic exchange processes. For the fully protonated samples investigated, we observed DNP signal enhancements of ~10 at 400 MHz using only 4–6 mM of the polarizing agent TOTAPOL. At 600 MHz and with DNP, we measured a distance between the drug and the protein to a precision of 0.2 Å. PMID:23480101

  3. A study of C-13-enriched chemical vapor deposited diamond film by means of C-13 nuclear magnetic resonance, electron paramagnetic resonance, and dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    Lock, Herman; Wind, Robert A.; Maciel, Gary E.; Johnson, Curtis E.

    1993-09-01

    The results are presented of a study, based on EPR and various NMR techniques, of the effect on the nature of CVD diamond films of the addition of O2 to the methane-hydrogen mixture used to produce the film. The addition of oxygen to the feed gas results in a reduction of the number of unpaired electron spins, roughly from 10 exp 18 spins/g up to 10 exp 17 spins/g. There is a small aromatic signal in the dynamic nuclear polarization (DNP)-cross polarization (CP)-magic angle spinning (MAS) C-13 spectrum and a small peak at 28 ppm in the 14 T DP-MAS C-13 spectrum for only the diamond film sample grown without O2 present in the feed gas. The combination of DNP and CP at 1.4 T enables one to obtain a useful DNP-CP-MAS C-13 spectrum, ostensibly probing only the surface and intergrain boundary regions, in a matter of hours.

  4. Required Assets for a Nuclear Energy Applied R&D Program

    SciTech Connect

    Harold F. McFarlane; Craig L. Jacobson

    2009-03-01

    This report is one of a set of three documents that have collectively identified and recommended research and development capabilities that will be required to advance nuclear energy in the next 20 to 50 years. The first report, Nuclear Energy for the Future: Required Research and Development Capabilities—An Industry Perspective, was produced by Battelle Memorial Institute at the request of the Assistant Secretary of Nuclear Energy. That report, drawn from input by industry, academia, and Department of Energy laboratories, can be found in Appendix 5.1. This Idaho National Laboratory report maps the nuclear-specific capabilities from the Battelle report onto facility requirements, identifying options from the set of national laboratory, university, industry, and international facilities. It also identifies significant gaps in the required facility capabilities. The third document, Executive Recommendations for Nuclear R&D Capabilities, is a letter report containing a set of recommendations made by a team of senior executives representing nuclear vendors, utilities, academia, and the national laboratories (at Battelle’s request). That third report can be found in Appendix 5.2. The three reports should be considered as set in order to have a more complete picture. The basis of this report was drawn from three sources: previous Department of Energy reports, workshops and committee meetings, and expert opinion. The facilities discussed were winnowed from several hundred facilities that had previously been catalogued and several additional facilities that had been overlooked in past exercises. The scope of this report is limited to commercial nuclear energy and those things the federal government, or more specifically the Office of Nuclear Energy, should do to support its expanded deployment in order to increase energy security and reduce carbon emissions. In the context of this report, capabilities mean innovative, well-structured research and development programs

  5. Angular distribution of products of ternary nuclear fission induced by cold polarized neutrons

    NASA Astrophysics Data System (ADS)

    Bunakov, V. E.; Kadmensky, S. G.; Kadmensky, S. S.

    2008-11-01

    Within quantum fission theory, angular distributions of products originating from the ternary fission of nuclei that is induced by polarized cold and thermal neutrons are investigated on the basis of a nonevaporative mechanism of third-particle emission and a consistent description of fission-channel coupling. It is shown that the inclusion of Coriolis interaction both in the region of the discrete and in the region of the continuous spectrum of states of the system undergoing fission leads to T-odd correlations in the aforementioned angular distributions. The properties of the TRI and ROT effects discovered recently, which are due to the interference between the fission amplitudes of neutron resonances, are explored. The results obtained here are compared with their counterparts from classic calculations based on the trajectory method.

  6. Angular distribution of products of ternary nuclear fission induced by cold polarized neutrons

    SciTech Connect

    Bunakov, V. E. Kadmensky, S. G. Kadmensky, S. S.

    2008-11-15

    Within quantum fission theory, angular distributions of products originating from the ternary fission of nuclei that is induced by polarized cold and thermal neutrons are investigated on the basis of a non-evaporative mechanism of third-particle emission and a consistent description of fission-channel coupling. It is shown that the inclusion of Coriolis interaction both in the region of the discrete and in the region of the continuous spectrum of states of the system undergoing fission leads to T-odd correlations in the aforementioned angular distributions. The properties of the TRI and ROT effects discovered recently, which are due to the interference between the fission amplitudes of neutron resonances, are explored. The results obtained here are compared with their counterparts from classic calculations based on the trajectory method.

  7. Vanishing electron g factor and long-lived nuclear spin polarization in weakly strained nanohole-filled GaAs/AlGaAs quantum dots

    NASA Astrophysics Data System (ADS)

    Ulhaq, A.; Duan, Q.; Zallo, E.; Ding, F.; Schmidt, O. G.; Tartakovskii, A. I.; Skolnick, M. S.; Chekhovich, E. A.

    2016-04-01

    GaAs/AlGaAs quantum dots grown by in situ droplet etching and nanohole in-filling offer a combination of strong charge confinement, optical efficiency, and high spatial symmetry advantageous for polarization entanglement and spin-photon interface. Here, we study experimentally electron and nuclear spin properties of such dots. We find nearly vanishing electron g factors (ge<0.05 ), providing a potential route for electrically driven spin control schemes. Optical manipulation of the nuclear spin environment is demonstrated with nuclear spin polarization up to 65 % achieved. Nuclear magnetic resonance spectroscopy reveals two distinct types of quantum dots: with tensile and with compressive strain along the growth axis. In both types of dots, the magnitude of strain ɛb<0.02 % is nearly three orders of magnitude smaller than in self-assembled dots: On the one hand, this provides a route for eliminating a major source of electron spin decoherence arising from nuclear quadrupolar interactions, and on the other hand such strain is sufficient to suppress nuclear spin diffusion leading to a stable nuclear spin bath with nuclear spin lifetimes exceeding 500 s. The spin properties revealed in this work make this new type of quantum dot an attractive alternative to self-assembled dots for the applications in quantum information technologies.

  8. Distortion-free {sup 13}C NMR spectroscopy in coal: {sup 1}H rotating-frame dynamic nuclear polarization and {sup 1}H-{sup 13}C cross-polarization

    SciTech Connect

    Wind, R.A.

    1993-12-31

    A {sup 1}H-{sup 13}C cross-polarization (CP) experiment is described in which the {sup 1}H magnetization, used in CP, is obtained via dynamic nuclear polarization (DNP) in the proton rotating frame (RF DNP). This experiment can be carried out in coal and other solids containing unpaired electrons. In this so-called RF DNP-CP experiment, interplay effects between the {sup 1}H-{sup 13}C polarization-transfer times and the {sup 1}H rotating-frame relaxation time are avoided; thus {sup 13}C spectral distortions due to these effects are prevented. Moreover, multiple-contact RF DNP-CP experiments are possible, and these experiments reduce the measuring time of a {sup 13}C spectrum. An application of the RF DNP-CP technique in a low-volatile bituminous coal is given. 25 refs., 3 figs.

  9. Technical Review of the Domestic Nuclear Detection Office Transformational and Applied Research Directorate’s Research and Development Program

    SciTech Connect

    Lavietes, Anthony; Trebes, James; Borchers, Robert; Dahlburg, Jill; Donnelly, John; Isles, Adam; Johnson, Neil; Knoll, Glenn; Kouzes, Richard T.; Lanza, Richard; Lieberman, Jodi; Lund, James; Prussin, Stanley G.; Russo, Jeanette; Slakey, Francis

    2013-01-01

    At the request of the Domestic Nuclear Detection Office (DNDO), a Review Committee comprised of representatives from the American Physical Society (APS) Panel on Public Affairs (POPA) and the Institute of Electrical and Electronics Engineers (IEEE) Nuclear and Plasma Sciences Society (NPSS) performed a technical review of the DNDO Transformational and Applied Research Directorate (TARD) research and development program. TARD’s principal objective is to address gaps in the Global Nuclear Detection Architecture (GNDA) through improvements in the performance, cost, and operational burden of detectors and systems. The charge to the Review Committee was to investigate the existing TARD research and development plan and portfolio, recommend changes to the existing plan, and recommend possible new R&D areas and opportunities. The Review Committee has several recommendations.

  10. The Path to Sustainable Nuclear Energy. Basic and Applied Research Opportunities for Advanced Fuel Cycles

    SciTech Connect

    Finck, P.; Edelstein, N.; Allen, T.; Burns, C.; Chadwick, M.; Corradini, M.; Dixon, D.; Goff, M.; Laidler, J.; McCarthy, K.; Moyer, B.; Nash, K.; Navrotsky, A.; Oblozinsky, P.; Pasamehmetoglu, K.; Peterson, P.; Sackett, J.; Sickafus, K. E.; Tulenko, J.; Weber, W.; Morss, L.; Henry, G.

    2005-09-01

    The objective of this report is to identify new basic science that will be the foundation for advances in nuclear fuel-cycle technology in the near term, and for changing the nature of fuel cycles and of the nuclear energy industry in the long term. The goals are to enhance the development of nuclear energy, to maximize energy production in nuclear reactor parks, and to minimize radioactive wastes, other environmental impacts, and proliferation risks. The limitations of the once-through fuel cycle can be overcome by adopting a closed fuel cycle, in which the irradiated fuel is reprocessed and its components are separated into streams that are recycled into a reactor or disposed of in appropriate waste forms. The recycled fuel is irradiated in a reactor, where certain constituents are partially transmuted into heavier isotopes via neutron capture or into lighter isotopes via fission. Fast reactors are required to complete the transmutation of long-lived isotopes. Closed fuel cycles are encompassed by the Department of Energy?s Advanced Fuel Cycle Initiative (AFCI), to which basic scientific research can contribute. Two nuclear reactor system architectures can meet the AFCI objectives: a ?single-tier? system or a ?dual-tier? system. Both begin with light water reactors and incorporate fast reactors. The ?dual-tier? systems transmute some plutonium and neptunium in light water reactors and all remaining transuranic elements (TRUs) in a closed-cycle fast reactor. Basic science initiatives are needed in two broad areas: ? Near-term impacts that can enhance the development of either ?single-tier? or ?dual-tier? AFCI systems, primarily within the next 20 years, through basic research. Examples: Dissolution of spent fuel, separations of elements for TRU recycling and transmutation Design, synthesis, and testing of inert matrix nuclear fuels and non-oxide fuels Invention and development of accurate on-line monitoring systems for chemical and nuclear species in the nuclear

  11. Defence sugarcane glycoproteins disorganize microtubules and prevent nuclear polarization and germination of Sporisorium scitamineum teliospores.

    PubMed

    Sánchez-Elordi, Elena; Baluška, František; Echevarría, Clara; Vicente, Carlos; Legaz, M Estrella

    2016-08-01

    Microtubules (MTs) are involved in the germination of Sporisorium scitamineum teliospores. Resistant varieties of sugar cane plants produce defence glycoproteins that prevent the infection of the plants by the filamentous fungi Sporisorium scitamineum. Here, we show that a fraction of these glycoproteins prevents the correct arrangement of MTs and causes nuclear fragmentation defects. As a result, nuclei cannot correctly migrate through the growing hyphae, causing germinative failure. Arginase activity contained in defence glycoproteins is already described for preventing fungal germination. Now, its enzymatically active form is presented as a link between the defensive capacity of glycoproteins and the MT disorganization in fungal cells. Active arginase is produced in healthy and resistant plants; conversely, it is not detected in the juice from susceptible varieties, which explains why MT depolarization, nuclear disorganization as well as germination of teliospores are not significantly affected by glycoproteins from non-resistant plants. Our results also suggest that susceptible plants try to increase their levels of arginase after detecting the presence of the pathogen. However, this signal comes "too late" and such defensive mechanism fails. PMID:27372179

  12. Palmer Quest: A Feasible Nuclear Fission "Vision Mission" to the Mars Polar Caps

    NASA Technical Reports Server (NTRS)

    Carsey, F. D.; Beegle, L. W.; Nakagawa, R.; Elliott, J. O.; Matthews, J. B.; Coleman, M. L.; Hecht, M. H.; Ivaniov, A. B.; Head, J. W.; Milkovich, S.

    2005-01-01

    We are engaged in a NASA Vision Mission study, called Palmer Quest after the American Antarctic explorer Nathaniel Palmer, to assess the presence of life and evaluate the habitability of the basal domain of the Mars polar caps. We address this goal through four objectives: 1. Determine the presence of amino acids, nutrients, and geochemical heterogeneity in the ice sheet. 2. Quantify and characterize the provenance of the amino acids in Mars ice. 3. Assess the stratification of outcropped units for indications of habitable zones. 4. Determine the accumulation of ice, mineralogic material, and amino acids in Mars ice caps over the present epoch. Because of the defined scientific goal for the vision mission, the Palmer Quest focus is astrobiological; however, the results of the study make us optimistic that aggressive multi-platform in-situ missions that address a wide range of objectives, such as climate change, can be supported by variations of the approach used on this mission. Mission Overview: The Palmer Quest baseline

  13. 10 CFR Appendix E to Part 73 - Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 2 2012-01-01 2012-01-01 false Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1 E Appendix E to Part 73 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS Pt. 73, App. E Appendix E to Part 73—Levels of Physical Protection To Be Applied in...

  14. Dual functions for the Schizosaccharomyces pombe inositol kinase Ipk1 in nuclear mRNA export and polarized cell growth.

    PubMed

    Sarmah, Bhaskarjyoti; Wente, Susan R

    2009-02-01

    The inositol 1,3,4,5,6-pentakisphosphate (IP(5)) 2-kinase (Ipk1) catalyzes the production of inositol hexakisphosphate (IP(6)) in eukaryotic cells. Previous studies have shown that IP(6) is required for efficient nuclear mRNA export in the budding yeast Saccharomyces cerevisiae. Here, we report the first functional analysis of ipk1(+) in Schizosaccharomyces pombe. S. pombe Ipk1 (SpIpk1) is unique among Ipk1 orthologues in that it harbors a novel amino (N)-terminal domain with coiled-coil structural motifs similar to those of BAR (Bin-amphiphysin-Rvs) domain proteins. Mutants with ipk1(+) deleted (ipk1Delta) had mRNA export defects as well as pleiotropic defects in polarized growth, cell morphology, endocytosis, and cell separation. The SpIpk1 catalytic carboxy-terminal domain was required to rescue these defects, and the mRNA export block was genetically linked to SpDbp5 function and, likely, IP(6) production. However, the overexpression of the N-terminal domain alone also inhibited these functions in wild-type cells. This revealed a distinct noncatalytic function for the N-terminal domain. To test for connections with other inositol polyphosphates, we also analyzed whether the loss of asp1(+) function, encoding an IP(6) kinase downstream of Ipk1, had an effect on ipk1Delta cells. The asp1Delta mutant alone did not block mRNA export, and its cell morphology, polarized growth, and endocytosis defects were less severe than those of ipk1Delta cells. Moreover, ipk1Delta asp1Delta double mutants had altered inositol polyphosphate levels distinct from those of the ipk1Delta mutant. This suggested novel roles for asp1(+) upstream of ipk1(+). We propose that IP(6) production is a key signaling linchpin for regulating multiple essential cellular processes. PMID:19047361

  15. Site-specific hydration dynamics in the nonpolar core of a molten globule by dynamic nuclear polarization of water.

    PubMed

    Armstrong, Brandon D; Choi, Jennifer; López, Carlos; Wesener, Darryl A; Hubbell, Wayne; Cavagnero, Silvia; Han, Songi

    2011-04-20

    Water-protein interactions play a direct role in protein folding. The chain collapse that accompanies protein folding involves extrusion of water from the nonpolar core. For many proteins, including apomyoglobin (apoMb), hydrophobic interactions drive an initial collapse to an intermediate state before folding to the final structure. However, the debate continues as to whether the core of the collapsed intermediate state is hydrated and, if so, what the dynamic nature of this water is. A key challenge is that protein hydration dynamics is significantly heterogeneous, yet suitable experimental techniques for measuring hydration dynamics with site-specificity are lacking. Here, we introduce Overhauser dynamic nuclear polarization at 0.35 T via site-specific nitroxide spin labels as a unique tool to probe internal and surface protein hydration dynamics with site-specific resolution in the molten globular, native, and unfolded protein states. The (1)H NMR signal enhancement of water carries information about the local dynamics of the solvent within ∼10 Å of a spin label. EPR is used synergistically to gain insights on local polarity and mobility of the spin-labeled protein. Several buried and solvent-exposed sites of apoMb are examined, each bearing a covalently bound nitroxide spin label. We find that the nonpoloar core of the apoMb molten globule is hydrated with water bearing significant translational dynamics, only 4-6-fold slower than that of bulk water. The hydration dynamics of the native state is heterogeneous, while the acid-unfolded state bears fast-diffusing hydration water. This study provides a high-resolution glimpse at the folding-dependent nature of protein hydration dynamics. PMID:21443207

  16. Kinetic evidence for the formation of discrete 1,4-dehydrobenzene intermediates. Trapping by inter- and intramolecular hydrogen atom transfer and observation of high-temperature CIDNP (chemically induced dynamic nuclear polarization). [Chemically induced dynamic nuclear polarization

    SciTech Connect

    Lockhart, T.P.; Comita, P.B.; Bergman, R.G.

    1981-07-15

    Upon being heated, alkyl-substituted cis-1,2-diethynyl olefins undergo cyclization to yield reactive 1,4-dehydrobenzenes; the products isolated may be derived from either unimolecular or bimolecular reactions of the intermediate. (Z)-4,5-Diethynyl-4-octene (4) undergoes rearrangement to yield 2,3-di-n-propyl-1,4-dehydrobenzene (17). Solution pyrolysis of 4 in inert aromatic solvents produces three unimolecular products, (Z)-dodeca-4,8-diyn-6-ene (7), benzocycloctene (9), and o-allyl-n-propylbenzene (10), in high yield. When 1,4-cyclohexadiene is added to the pyrolysis solution as a trapping agent high yields of the reduced product o-di-n-propylbenzene (12) are obtained. The kinetics of solution pyrolysis of 4 in the presence and absence of trapping agent pyl-1,4-dehydrobenzene is a discrete intermediate on the pathway leading to products. When the reaction was run in the heated probe of an NMR spectrometer, chemically induced dynamic nuclear polarization was observed in 10. This observation, along with kinetic and chemical trapping evidence, indicates the presence of two additional intermediates, formed from 17 by sequential intramolecular (1,5) hydrogen transfer, on the pathway to products. The observation of CIDNP, coupled with the reactivity exhibited by 17 and the other two intermediates, implicates a biradical description of these molecules.

  17. ON THE ANODIC POLARIZATION BEHAVIOR OF CARBON STEEL IN HANFORD NUCLEAR WASTES

    SciTech Connect

    BOOMER, K.D.

    2007-01-31

    The effect of the important chemical constituents in the Hanford nuclear waste simulant on the anodic behavior of carbon steel was studied. Specifically, the effect of pH, nitrite concentration, nitrite/nitrate concentration ratios, total organic carbon and the chloride concentration on the open circuit potential, pitting potential and repassivation potential was evaluated. It was found that pH adjusting, although capable of returning the tank chemistry back to specification, did not significantly reduce the corrosivity of the stimulant compared to the present condition. Nitrite was found to be a potent inhibitor for carbon steel. A critical concentration of approximately 1.2M appeared to be beneficial to increase the difference of repassivation potential and open circuit potential considerably and thus prevent pitting corrosion from occurring. No further benefit was gained when increasing nitrite concentration to a higher level. The organic compounds were found to be weak inhibitors in the absence of nitrite and the change of chloride from 0.05M to 0.2M did not alter the anodic behavior dramatically.

  18. Monitoring of the Polar Stratospheric Clouds formation and evolution in Antarctica in August 2007 during IPY with the MATCH method applied to lidar data

    NASA Astrophysics Data System (ADS)

    Montoux, Nadege; David, Christine; Klekociuk, Andrew; Pitts, Michael; di Liberto, Luca; Snels, Marcel; Jumelet, Julien; Bekki, Slimane; Larsen, Niels

    2010-05-01

    The project ORACLE-O3 ("Ozone layer and UV RAdiation in a changing CLimate Evaluated during IPY") is one of the coordinated international proposals selected for the International Polar Year (IPY). As part of this global project, LOLITA-PSC ("Lagrangian Observations with Lidar Investigations and Trajectories in Antarctica and Arctic, of PSC") is devoted to Polar Stratospheric Clouds (PSC) studies. Indeed, understanding the formation and evolution of PSC is an important issue to quantify the impact of climate changes on their frequency of formation and, further, on chlorine activation and subsequent ozone depletion. In this framework, three lidar stations performed PSC observations in Antarctica during the 2006, 2007, and 2008 winters: Davis (68.58°S, 77.97°E), McMurdo (77.86°S, 166.48°E) and Dumont D'Urville (66.67°S, 140.01°E). The data are completed with the lidar data from CALIOP ("Cloud-Aerosol Lidar with Orthogonal Polarization") onboard the CALIPSO ("Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation") satellite. Lagrangian trajectory calculations are used to identify air masses with PSCs sounded by several ground-based lidar stations with the same method, called MATCH, applied for the first time in Arctic to study the ozone depletion with radiosoundings. The evolution of the optical properties of the PSCs and thus the type of PSCs formed (supercooled ternary solution, nitric acid trihydrate particles or ice particles) could thus be linked to the thermodynamical evolution of the air mass deduced from the trajectories. A modeling with the microphysical model of the Danish Meteorological Institute allows assessing our ability to predict PSCs for various environmental conditions. Indeed, from pressure and temperature evolution, the model allows retrieving the types of particles formed as well as their mean radii, their concentrations and could also simulate the lidar signals. In a first step, a case in August 2007 around 17-18 km, involving

  19. A peripheral component interconnect express-based scalable and highly integrated pulsed spectrometer for solution state dynamic nuclear polarization

    NASA Astrophysics Data System (ADS)

    He, Yugui; Feng, Jiwen; Zhang, Zhi; Wang, Chao; Wang, Dong; Chen, Fang; Liu, Maili; Liu, Chaoyang

    2015-08-01

    High sensitivity, high data rates, fast pulses, and accurate synchronization all represent challenges for modern nuclear magnetic resonance spectrometers, which make any expansion or adaptation of these devices to new techniques and experiments difficult. Here, we present a Peripheral Component Interconnect Express (PCIe)-based highly integrated distributed digital architecture pulsed spectrometer that is implemented with electron and nucleus double resonances and is scalable specifically for broad dynamic nuclear polarization (DNP) enhancement applications, including DNP-magnetic resonance spectroscopy/imaging (DNP-MRS/MRI). The distributed modularized architecture can implement more transceiver channels flexibly to meet a variety of MRS/MRI instrumentation needs. The proposed PCIe bus with high data rates can significantly improve data transmission efficiency and communication reliability and allow precise control of pulse sequences. An external high speed double data rate memory chip is used to store acquired data and pulse sequence elements, which greatly accelerates the execution of the pulse sequence, reduces the TR (time of repetition) interval, and improves the accuracy of TR in imaging sequences. Using clock phase-shift technology, we can produce digital pulses accurately with high timing resolution of 1 ns and narrow widths of 4 ns to control the microwave pulses required by pulsed DNP and ensure overall system synchronization. The proposed spectrometer is proved to be both feasible and reliable by observation of a maximum signal enhancement factor of approximately -170 for 1H, and a high quality water image was successfully obtained by DNP-enhanced spin-echo 1H MRI at 0.35 T.

  20. A peripheral component interconnect express-based scalable and highly integrated pulsed spectrometer for solution state dynamic nuclear polarization

    SciTech Connect

    He, Yugui; Liu, Chaoyang; Feng, Jiwen; Wang, Dong; Chen, Fang; Liu, Maili; Zhang, Zhi; Wang, Chao

    2015-08-15

    High sensitivity, high data rates, fast pulses, and accurate synchronization all represent challenges for modern nuclear magnetic resonance spectrometers, which make any expansion or adaptation of these devices to new techniques and experiments difficult. Here, we present a Peripheral Component Interconnect Express (PCIe)-based highly integrated distributed digital architecture pulsed spectrometer that is implemented with electron and nucleus double resonances and is scalable specifically for broad dynamic nuclear polarization (DNP) enhancement applications, including DNP-magnetic resonance spectroscopy/imaging (DNP-MRS/MRI). The distributed modularized architecture can implement more transceiver channels flexibly to meet a variety of MRS/MRI instrumentation needs. The proposed PCIe bus with high data rates can significantly improve data transmission efficiency and communication reliability and allow precise control of pulse sequences. An external high speed double data rate memory chip is used to store acquired data and pulse sequence elements, which greatly accelerates the execution of the pulse sequence, reduces the TR (time of repetition) interval, and improves the accuracy of TR in imaging sequences. Using clock phase-shift technology, we can produce digital pulses accurately with high timing resolution of 1 ns and narrow widths of 4 ns to control the microwave pulses required by pulsed DNP and ensure overall system synchronization. The proposed spectrometer is proved to be both feasible and reliable by observation of a maximum signal enhancement factor of approximately −170 for {sup 1}H, and a high quality water image was successfully obtained by DNP-enhanced spin-echo {sup 1}H MRI at 0.35 T.

  1. Physics with Polarized Nuclei.

    ERIC Educational Resources Information Center

    Thompson, William J.; Clegg, Thomas B.

    1979-01-01

    Discusses recent advances in polarization techniques, specifically those dealing with polarization of atomic nuclei, and how polarized beams and targets are produced. These techniques have greatly increased the scope of possible studies, and provided the tools for testing fundamental symmetries and the spin dependence of nuclear forces. (GA)

  2. Optimization of dynamic nuclear polarization experiments in aqueous solution at 15 MHz/9.7 GHz: a comparative study with DNP at 140 MHz/94 GHz.

    PubMed

    Türke, Maria-Teresa; Tkach, Igor; Reese, Marcel; Höfer, Peter; Bennati, Marina

    2010-06-14

    Dynamic nuclear polarization is emerging as a potential tool to increase the sensitivity of NMR aiming at the detection of macromolecules in liquid solution. One possibility for such an experimental design is to perform the polarization step between electrons and nuclei at low magnetic fields and then transfer the sample to a higher field for NMR detection. In this case, an independent optimization of the polarizer and detection set ups is required. In the present paper we describe the optimization of a polarizer set up at 15 MHz (1)H NMR/9.7 GHz EPR frequencies based on commercial hardware. The sample consists of the nitroxide radical TEMPONE-D,(15)N in water, for which the dimensions were systematically decreased to fit the homogeneous B(1) region of a dielectric ENDOR resonator. With an available B(1) microwave field up to 13 G we observe a maximum DNP enhancement of -170 at room temperature by irradiating on either one of the EPR lines. The DNP enhancement was saturated at all polarizer concentrations. Pulsed ELDOR experiments revealed that the saturation level of the two hyperfine lines is such that the DNP enhancements are well consistent with the coupling factors derived from NMRD data. By raising the polarizing field and frequencies 10-fold, i.e. to 140 MHz (1)H/94 GHz EPR, we reach an enhancement of -43 at microwave field strengths (B(1) approximately 5 G). The results are discussed in view of an application for a DNP spectrometer. PMID:20454734

  3. Dynamic Nuclear Polarization enhanced NMR at 187 GHz/284 MHz using an Extended Interaction Klystron amplifier

    NASA Astrophysics Data System (ADS)

    Kemp, Thomas F.; Dannatt, Hugh R. W.; Barrow, Nathan S.; Watts, Anthony; Brown, Steven P.; Newton, Mark E.; Dupree, Ray

    2016-04-01

    A Dynamic Nuclear Polarisation (DNP) enhanced solid-state Magic Angle Spinning (MAS) NMR spectrometer which uses a 187 GHz (corresponding to 1H NMR frequency of 284 MHz) Extended Interaction Klystron (EIK) amplifier as the microwave source is briefly described. Its performance is demonstrated for a biomolecule (bacteriorhodopsin), a pharmaceutical, and surface functionalised silica. The EIK is very compact and easily incorporated into an existing spectrometer. The bandwidth of the amplifier is sufficient that it obviates the need for a sweepable magnetic field, once set, for all commonly used radicals. The variable power (CW or pulsed) output from the EIK is transmitted to the DNP-NMR probe using a quasi-optic system with a high power isolator and a corrugated waveguide which feeds the microwaves into the DNP-NMR probe. Curved mirrors inside the probe project the microwaves down the axis of the MAS rotor, giving a very efficient system such that maximum DNP enhancement is achieved with less than 3 W output from the microwave source. The DNP-NMR probe operates with a sample temperature down to 90 K whilst spinning at 8 kHz. Significant enhancements, in excess of 100 for bacteriorhodopsin in purple membrane (bR in PM), are shown along with spectra which are enhanced by ≈25 with respect to room temperature, for both the pharmaceutical furosemide and surface functionalised silica. These enhancements allow hitherto prohibitively time consuming experiments to be undertaken. The power at which the DNP enhancement in bR in PM saturates does not change significantly between 90 K and 170 K even though the enhancement drops by a factor of ≈11. As the DNP build up time decreases by a factor 3 over this temperature range, the reduction in T1n is presumably a significant contribution to the drop in enhancement.

  4. Dynamic Nuclear Polarization enhanced NMR at 187 GHz/284 MHz using an Extended Interaction Klystron amplifier.

    PubMed

    Kemp, Thomas F; Dannatt, Hugh R W; Barrow, Nathan S; Watts, Anthony; Brown, Steven P; Newton, Mark E; Dupree, Ray

    2016-04-01

    A Dynamic Nuclear Polarisation (DNP) enhanced solid-state Magic Angle Spinning (MAS) NMR spectrometer which uses a 187 GHz (corresponding to (1)H NMR frequency of 284 MHz) Extended Interaction Klystron (EIK) amplifier as the microwave source is briefly described. Its performance is demonstrated for a biomolecule (bacteriorhodopsin), a pharmaceutical, and surface functionalised silica. The EIK is very compact and easily incorporated into an existing spectrometer. The bandwidth of the amplifier is sufficient that it obviates the need for a sweepable magnetic field, once set, for all commonly used radicals. The variable power (CW or pulsed) output from the EIK is transmitted to the DNP-NMR probe using a quasi-optic system with a high power isolator and a corrugated waveguide which feeds the microwaves into the DNP-NMR probe. Curved mirrors inside the probe project the microwaves down the axis of the MAS rotor, giving a very efficient system such that maximum DNP enhancement is achieved with less than 3 W output from the microwave source. The DNP-NMR probe operates with a sample temperature down to 90K whilst spinning at 8 kHz. Significant enhancements, in excess of 100 for bacteriorhodopsin in purple membrane (bR in PM), are shown along with spectra which are enhanced by ≈25 with respect to room temperature, for both the pharmaceutical furosemide and surface functionalised silica. These enhancements allow hitherto prohibitively time consuming experiments to be undertaken. The power at which the DNP enhancement in bR in PM saturates does not change significantly between 90K and 170 K even though the enhancement drops by a factor of ≈11. As the DNP build up time decreases by a factor 3 over this temperature range, the reduction in T1n is presumably a significant contribution to the drop in enhancement. PMID:26867091

  5. Functional and shunt states of bacteriorhodopsin resolved by 250 GHz dynamic nuclear polarization-enhanced solid-state NMR.

    PubMed

    Bajaj, Vikram S; Mak-Jurkauskas, Melody L; Belenky, Marina; Herzfeld, Judith; Griffin, Robert G

    2009-06-01

    Observation and structural studies of reaction intermediates of proteins are challenging because of the mixtures of states usually present at low concentrations. Here, we use a 250 GHz gyrotron (cyclotron resonance maser) and cryogenic temperatures to perform high-frequency dynamic nuclear polarization (DNP) NMR experiments that enhance sensitivity in magic-angle spinning NMR spectra of cryo-trapped photocycle intermediates of bacteriorhodopsin (bR) by a factor of approximately 90. Multidimensional spectroscopy of U-(13)C,(15)N-labeled samples resolved coexisting states and allowed chemical shift assignments in the retinylidene chromophore for several intermediates not observed previously. The correlation spectra reveal unexpected heterogeneity in dark-adapted bR, distortion in the K state, and, most importantly, 4 discrete L substates. Thermal relaxation of the mixture of L's showed that 3 of these substates revert to bR(568) and that only the 1 substate with both the strongest counterion and a fully relaxed 13-cis bond is functional. These definitive observations of functional and shunt states in the bR photocycle provide a preview of the mechanistic insights that will be accessible in membrane proteins via sensitivity-enhanced DNP NMR. These observations would have not been possible absent the signal enhancement available from DNP. PMID:19474298

  6. Applying Human Factors Evaluation and Design Guidance to a Nuclear Power Plant Digital Control System

    SciTech Connect

    Thomas Ulrich; Ronald Boring; William Phoenix; Emily Dehority; Tim Whiting; Jonathan Morrell; Rhett Backstrom

    2012-08-01

    The United States (U.S.) nuclear industry, like similar process control industries, has moved toward upgrading its control rooms. The upgraded control rooms typically feature digital control system (DCS) displays embedded in the panels. These displays gather information from the system and represent that information on a single display surface. In this manner, the DCS combines many previously separate analog indicators and controls into a single digital display, whereby the operators can toggle between multiple windows to monitor and control different aspects of the plant. The design of the DCS depends on the function of the system it monitors, but revolves around presenting the information most germane to an operator at any point in time. DCSs require a carefully designed human system interface. This report centers on redesigning existing DCS displays for an example chemical volume control system (CVCS) at a U.S. nuclear power plant. The crucial nature of the CVCS, which controls coolant levels and boration in the primary system, requires a thorough human factors evaluation of its supporting DCS. The initial digital controls being developed for the DCSs tend to directly mimic the former analog controls. There are, however, unique operator interactions with a digital vs. analog interface, and the differences have not always been carefully factored in the translation of an analog interface to a replacement DCS. To ensure safety, efficiency, and usability of the emerging DCSs, a human factors usability evaluation was conducted on a CVCS DCS currently being used and refined at an existing U.S. nuclear power plant. Subject matter experts from process control engineering, software development, and human factors evaluated the DCS displays to document potential usability issues and propose design recommendations. The evaluation yielded 167 potential usability issues with the DCS. These issues should not be considered operator performance problems but rather opportunities

  7. Medical Image Processing Server applied to Quality Control of Nuclear Medicine.

    NASA Astrophysics Data System (ADS)

    Vergara, C.; Graffigna, J. P.; Marino, E.; Omati, S.; Holleywell, P.

    2016-04-01

    This paper is framed within the area of medical image processing and aims to present the process of installation, configuration and implementation of a processing server of medical images (MIPS) in the Fundación Escuela de Medicina Nuclear located in Mendoza, Argentina (FUESMEN). It has been developed in the Gabinete de Tecnologia Médica (GA.TE.ME), Facultad de Ingeniería-Universidad Nacional de San Juan. MIPS is a software that using the DICOM standard, can receive medical imaging studies of different modalities or viewing stations, then it executes algorithms and finally returns the results to other devices. To achieve the objectives previously mentioned, preliminary tests were conducted in the laboratory. More over, tools were remotely installed in clinical enviroment. The appropiate protocols for setting up and using them in different services were established once defined those suitable algorithms. Finally, it’s important to focus on the implementation and training that is provided in FUESMEN, using nuclear medicine quality control processes. Results on implementation are exposed in this work.

  8. Construction and 13C NMR signal-amplification efficiency of a dynamic nuclear polarizer at 6.4 T and 1.4 K

    NASA Astrophysics Data System (ADS)

    Kiswandhi, Andhika; Niedbalski, Peter; Parish, Christopher; Ferguson, Sarah; Taylor, David; McDonald, George; Lumata, Lloyd

    Dissolution dynamic nuclear polarization (DNP) is a rapidly emerging technique in biomedical and metabolic imaging since it amplifies the liquid-state nuclear magnetic resonance (NMR) and imaging (MRI) signals by >10,000-fold. Originally used in nuclear scattering experiments, DNP works by creating a non-Boltzmann nuclear spin distribution by transferring the high electron (γ = 28,000 MHz/T) thermal polarization to the nuclear spins via microwave irradiation of the sample at high magnetic field and low temperature. A dissolution device is used to rapidly dissolve the frozen sample and consequently produces an injectable ``hyperpolarized'' liquid at physiologically-tolerable temperature. Here we report the construction and performance evaluation of a dissolution DNP hyperpolarizer at 6.4 T and 1.4 K using a continuous-flow cryostat. The solid and liquid-state 13C NMR signal enhancement levels of 13C acetate samples doped with trityl OX063 and 4-oxo-TEMPO free radicals will be discussed and compared with the results from the 3.35 T commercial hyperpolarizer. This work is supported by US Dept of Defense Award No. W81XWH-14-1-0048 and Robert A. Welch Foundation Grant No. AT-1877.

  9. Risk-based analysis methods applied to nuclear power plant technical specifications

    SciTech Connect

    Wagner, D.P.; Minton, L.A.; Gaertner, J.P.

    1989-03-01

    A computer-aided methodology and practical applications of risk-based evaluation of technical specifications are described. The methodology, developed for use by the utility industry, is a part of the overall process of improving nuclear power plant technical specifications. The SOCRATES computer program uses the results of a probabilistic risk assessment or a system-level risk analysis to calculate changes in risk due to changes in the surveillance test interval and/or the allowed outage time stated in the technical specification. The computer program can accommodate various testing strategies (such as staggered or simultaneous testing) to allow modeling of component testing as it is carried out at the plant. The methods and computer program are an integral part of a larger decision process aimed at determining benefits from technical specification changes. These benefits can include cost savings to the utilities by reducing forced shutdowns and decreasing labor requirements for test and maintenance activities, with no adverse impacts on risk. The methodology and the SOCRATES computer program have been used extensively toe valuate several actual technical specifications in case studies demonstrating the methods. Summaries of these applications demonstrate the types of results achieved and the usefulness of the risk-based evaluation in improving the technical specifications.

  10. Applying the results of probablistic safety analysis of nuclear power plants: a survey of experience

    SciTech Connect

    Andrews, W.B.; Herttrich, M.; Koeberlein, K.; Schwager

    1985-01-01

    To date, discussions of the many different types of potential applications of PRA/PSA results and insights to safety-decision-making have been mainly theoretical. Various safety goals have been proposed as decision criteria. However, the discussion on the role of PRA/PSA and Safety Goals in safety-decision-making, especially in licensing, is controversial. A Working Group of the OECD Nuclear Energy Agency is completing a compilation and evaluation of real examples of past and present practical experience with the application of probabilistic methods in reactor safety decision-making, with the idea of developing a common understanding in this area. More than fifty different cases where PRA has influenced decision-making have been surveyed. These include, for example, regulatory changes, fixing of licensing requirements, plant specific modifications of design of operation, prioritization of safety issues and emergency planning. This feedback of experience - both positive and negative - with PRA/PSA applications is considered to provide guidance on how probabilistic approaches can be introduced into current safety practices, and on desirable future developments in probabilistic methods and specific PSA/PRA studies. Generic insights from the survey are given.

  11. A versatile and modular quasi optics-based 200GHz dual dynamic nuclear polarization and electron paramagnetic resonance instrument.

    PubMed

    Siaw, Ting Ann; Leavesley, Alisa; Lund, Alicia; Kaminker, Ilia; Han, Songi

    2016-03-01

    Solid-state dynamic nuclear polarization (DNP) at higher magnetic fields (>3T) and cryogenic temperatures (∼ 2-90K) has gained enormous interest and seen major technological advances as an NMR signal enhancing technique. Still, the current state of the art DNP operation is not at a state at which sample and freezing conditions can be rationally chosen and the DNP performance predicted a priori, but relies on purely empirical approaches. An important step towards rational optimization of DNP conditions is to have access to DNP instrumental capabilities to diagnose DNP performance and elucidate DNP mechanisms. The desired diagnoses include the measurement of the "DNP power curve", i.e. the microwave (MW) power dependence of DNP enhancement, the "DNP spectrum", i.e. the MW frequency dependence of DNP enhancement, the electron paramagnetic resonance (EPR) spectrum, and the saturation and spectral diffusion properties of the EPR spectrum upon prolonged MW irradiation typical of continuous wave (CW) DNP, as well as various electron and nuclear spin relaxation parameters. Even basic measurements of these DNP parameters require versatile instrumentation at high magnetic fields not commercially available to date. In this article, we describe the detailed design of such a DNP instrument, powered by a solid-state MW source that is tunable between 193 and 201 GHz and outputs up to 140 mW of MW power. The quality and pathway of the transmitted and reflected MWs is controlled by a quasi-optics (QO) bridge and a corrugated waveguide, where the latter couples the MW from an open-space QO bridge to the sample located inside the superconducting magnet and vice versa. Crucially, the versatility of the solid-state MW source enables the automated acquisition of frequency swept DNP spectra, DNP power curves, the diagnosis of MW power and transmission, and frequency swept continuous wave (CW) and pulsed EPR experiments. The flexibility of the DNP instrument centered around the QO MW

  12. A versatile and modular quasi optics-based 200 GHz dual dynamic nuclear polarization and electron paramagnetic resonance instrument

    NASA Astrophysics Data System (ADS)

    Siaw, Ting Ann; Leavesley, Alisa; Lund, Alicia; Kaminker, Ilia; Han, Songi

    2016-03-01

    Solid-state dynamic nuclear polarization (DNP) at higher magnetic fields (>3 T) and cryogenic temperatures (∼2-90 K) has gained enormous interest and seen major technological advances as an NMR signal enhancing technique. Still, the current state of the art DNP operation is not at a state at which sample and freezing conditions can be rationally chosen and the DNP performance predicted a priori, but relies on purely empirical approaches. An important step towards rational optimization of DNP conditions is to have access to DNP instrumental capabilities to diagnose DNP performance and elucidate DNP mechanisms. The desired diagnoses include the measurement of the "DNP power curve", i.e. the microwave (MW) power dependence of DNP enhancement, the "DNP spectrum", i.e. the MW frequency dependence of DNP enhancement, the electron paramagnetic resonance (EPR) spectrum, and the saturation and spectral diffusion properties of the EPR spectrum upon prolonged MW irradiation typical of continuous wave (CW) DNP, as well as various electron and nuclear spin relaxation parameters. Even basic measurements of these DNP parameters require versatile instrumentation at high magnetic fields not commercially available to date. In this article, we describe the detailed design of such a DNP instrument, powered by a solid-state MW source that is tunable between 193 and 201 GHz and outputs up to 140 mW of MW power. The quality and pathway of the transmitted and reflected MWs is controlled by a quasi-optics (QO) bridge and a corrugated waveguide, where the latter couples the MW from an open-space QO bridge to the sample located inside the superconducting magnet and vice versa. Crucially, the versatility of the solid-state MW source enables the automated acquisition of frequency swept DNP spectra, DNP power curves, the diagnosis of MW power and transmission, and frequency swept continuous wave (CW) and pulsed EPR experiments. The flexibility of the DNP instrument centered around the QO MW

  13. Proceedings of the 2013 International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering - M and C 2013

    SciTech Connect

    2013-07-01

    The Mathematics and Computation Division of the American Nuclear (ANS) and the Idaho Section of the ANS hosted the 2013 International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering (M and C 2013). This proceedings contains over 250 full papers with topics ranging from reactor physics; radiation transport; materials science; nuclear fuels; core performance and optimization; reactor systems and safety; fluid dynamics; medical applications; analytical and numerical methods; algorithms for advanced architectures; and validation verification, and uncertainty quantification.

  14. 10 CFR Appendix E to Part 73 - Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 2 2013-01-01 2013-01-01 false Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1 E Appendix E to Part 73 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS Pt. 73, App. E Appendix E to Part 73—Levels...

  15. 10 CFR Appendix E to Part 73 - Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 2 2014-01-01 2014-01-01 false Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1 E Appendix E to Part 73 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS Pt. 73, App. E Appendix E to Part 73—Levels...

  16. 10 CFR Appendix E to Part 73 - Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 2 2010-01-01 2010-01-01 false Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1 E Appendix E to Part 73 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS Pt. 73, App. E Appendix E to Part 73—Levels...

  17. U(5)-SU(3) nuclear shape transition within the interacting boson model applied to dysprosium isotopes

    NASA Astrophysics Data System (ADS)

    Kotb, M.

    2016-07-01

    In the framework of the interacting boson model (IBM) with intrinsic coherent state, the shape Hamiltonian from spherical vibrator U(5) to axially symmetric prolate deformed rotator SU(3) are examined. The Hamiltonian used is composed of a single boson energy term and quadrupole term. The potential energy surfaces (PES' s) corresponding to the U(5)-SU(3) transition are calculated with variation of a scaling and control parameters. The model is applied to 150-162Dy chain of isotopes. In this chain a change from spherical to well deformed nuclei is observed when moving from the lighter to heavier isotopes. 156Dy is a good candidate for the critical point symmetry X(5). The parameters of the model are determined by using a computer simulated search program in order to minimize the deviation between our calculated and some selected experimental energy levels, B(E2) transition rates and the two neutron separation energies S2n. We have also studied the energy ratios and the B(E2) values for the yrast state of the critical nucleus. The nucleon pair transfer intensities between ground-ground and ground-beta states are examined within IBM and boson intrinsic coherent framework.

  18. Dynamic nuclear polarization NMR enables the analysis of Sn-Beta zeolite prepared with natural abundance ¹¹⁹Sn precursors.

    PubMed

    Gunther, William R; Michaelis, Vladimir K; Caporini, Marc A; Griffin, Robert G; Román-Leshkov, Yuriy

    2014-04-30

    The catalytic activity of tin-containing zeolites, such as Sn-Beta, is critically dependent on the successful incorporation of the tin metal center into the zeolite framework. However, synchrotron-based techniques or solid-state nuclear magnetic resonance (ssNMR) of samples enriched with (119)Sn isotopes are the only reliable methods to verify framework incorporation. This work demonstrates, for the first time, the use of dynamic nuclear polarization (DNP) NMR for characterizing zeolites containing ~2 wt % of natural abundance Sn without the need for (119)Sn isotopic enrichment. The biradicals TOTAPOL, bTbK, bCTbK, and SPIROPOL functioned effectively as polarizing sources, and the solvent enabled proper transfer of spin polarization from the radical's unpaired electrons to the target nuclei. Using bCTbK led to an enhancement (ε) of 75, allowing the characterization of natural-abundance (119)Sn-Beta with excellent signal-to-noise ratios in <24 h. Without DNP, no (119)Sn resonances were detected after 10 days of continuous analysis. PMID:24697321

  19. An overview of research activities on materials for nuclear applications at the INL Safety, Tritium and Applied Research facility

    NASA Astrophysics Data System (ADS)

    Calderoni, P.; Sharpe, J.; Shimada, M.; Denny, B.; Pawelko, B.; Schuetz, S.; Longhurst, G.; Hatano, Y.; Hara, M.; Oya, Y.; Otsuka, T.; Katayama, K.; Konishi, S.; Noborio, K.; Yamamoto, Y.

    2011-10-01

    The Safety, Tritium and Applied Research facility at the Idaho National Laboratory is a US Department of Energy National User Facility engaged in various aspects of materials research for nuclear applications related to fusion and advanced fission systems. Research activities are mainly focused on the interaction of tritium with materials, in particular plasma facing components, liquid breeders, high temperature coolants, fuel cladding, cooling and blanket structures and heat exchangers. Other activities include validation and verification experiments in support of the Fusion Safety Program, such as beryllium dust reactivity and dust transport in vacuum vessels, and support of Advanced Test Reactor irradiation experiments. This paper presents an overview of the programs engaged in the activities, which include the US-Japan TITAN collaboration, the US ITER program, the Next Generation Power Plant program and the tritium production program, and a presentation of ongoing experiments as well as a summary of recent results with emphasis on fusion relevant materials.

  20. An overview of research activities on materials for nuclear applications at the INL Safety, Tritium and Applied Research facility

    SciTech Connect

    P. Calderoni; P. Sharpe; M. Shimada

    2009-09-01

    The Safety, Tritium and Applied Research facility at the Idaho National Laboratory is a US Department of Energy National User Facility engaged in various aspects of materials research for nuclear applications related to fusion and advanced fission systems. Research activities are mainly focused on the interaction of tritium with materials, in particular plasma facing components, liquid breeders, high temperature coolants, fuel cladding, cooling and blanket structures and heat exchangers. Other activities include validation and verification experiments in support of the Fusion Safety Program, such as beryllium dust reactivity and dust transport in vacuum vessels, and support of Advanced Test Reactor irradiation experiments. This paper presents an overview of the programs engaged in the activities, which include the US-Japan TITAN collaboration, the US ITER program, the Next Generation Power Plant program and the tritium production program, and a presentation of ongoing experiments as well as a summary of recent results with emphasis on fusion relevant materials.

  1. Measuring the spin polarization of alkali-metal atoms using nuclear magnetic resonance frequency shifts of noble gases

    NASA Astrophysics Data System (ADS)

    Liu, X. H.; Luo, H.; Qu, T. L.; Yang, K. Y.; Ding, Z. C.

    2015-10-01

    We report a novel method of measuring the spin polarization of alkali-metal atoms by detecting the NMR frequency shifts of noble gases. We calculated the profile of 87Rb D1 line absorption cross sections. We then measured the absorption profile of the sample cell, from which we calculated the 87Rb number densities at different temperatures. Then we measured the frequency shifts resulted from the spin polarization of the 87Rb atoms and calculated its polarization degrees at different temperatures. The behavior of frequency shifts versus temperature in experiment was consistent with theoretical calculation, which may be used as compensative signal for the NMRG closed-loop control system.

  2. Polarization at SLAC

    SciTech Connect

    Woods, M.

    1995-01-01

    A highly polarized electron beam is a key feature. for the Current physics program at SLAC. An electron beam polarization of 80% can now be routinely achieved for typically 5000 hours of machine operation per year. Two main Physics programs utilize the polarized beam. Fixed target experiments in End Station A study the collision of polarized electrons with polarized nuclear targets to elucidate the spin structure of the nucleon and to provide an important test of QCD. Using the SLAC Linear Collider, collisions of polarized electrons with unpolarized positrons allow precise measurements of parity violation in the Z-fermion couplings and provide a very precise measurement of tile weak mixing angle. This paper discusses polarized beam operation at SLAC, and gives an overview of the polarized physics program.

  3. Dynamic nuclear polarization properties of nitroxyl radical in high viscous liquid using Overhauser-enhanced Magnetic Resonance Imaging (OMRI)

    NASA Astrophysics Data System (ADS)

    Kumara Dhas, M.; Utsumi, Hideo; Jawahar, A.; Milton Franklin Benial, A.

    2015-08-01

    The dynamic nuclear polarization (DNP) studies were carried out for 15N labeled carbamoyl-PROXYL in pure water and pure water/glycerol mixtures of different viscosities (1.8 cP, 7 cP and 14 cP). The dependence of DNP parameters was demonstrated over a range of agent concentration, viscosities, RF power levels and ESR irradiation time. DNP spectra were also recorded for 2 mM concentration of 15N labeled carbamoyl-PROXYL in pure water and pure water/glycerol mixtures of different viscosities. The DNP factors were measured as a function of ESR irradiation time, which increases linearly up to 2 mM agent concentration in pure water and pure water/glycerol mixtures of different viscosities. The DNP factor started declining in the higher concentration region (∼3 mM), which is due to the ESR line width broadening. The water proton spin-lattice relaxation time was measured at very low Zeeman field (14.529 mT). The increased DNP factor (35%) was observed for solvent 2 (η = 1.8 cP) compared with solvent 1 (η = 1 cP). The increase in the DNP factor was brought about by the shortening of water proton spin-lattice relaxation time of solvent 2. The decreased DNP factors (30% and 53%) were observed for solvent 3 (η = 7 cP) and solvent 4 (η = 14 cP) compared with solvent 2, which is mainly due to the low value of coupling parameter in high viscous liquid samples. The longitudinal relaxivity, leakage factor and coupling parameter were estimated. The coupling parameter values reveal that the dipolar interaction as the major mechanism. The longitudinal relaxivity increases with the increasing viscosity of pure water/glycerol mixtures. The leakage factor showed an asymptotic increase with the increasing agent concentration. It is envisaged that the results reported here may provide guidelines for the design of new viscosity prone nitroxyl radicals, suited to the biological applications of DNP.

  4. 10 CFR Appendix E to Part 73 - Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 2 2011-01-01 2011-01-01 false Levels of Physical Protection To Be Applied in... (CONTINUED) PHYSICAL PROTECTION OF PLANTS AND MATERIALS Pt. 73, App. E Appendix E to Part 73—Levels of Physical Protection To Be Applied in International Transport of Nuclear Material 1 1 See appendix C to...

  5. Mechanism of Solid-State Thermolysis of Ammonia Boraine: 15N NMR Study Using Fast Magic-Angle Spinning and Dynamic Nuclear Polarization

    SciTech Connect

    Kobayashi, Takeshi; Gupta, Shalabh; Caporini, Marc A; Pecharsky, Vitalij K; Pruski, Marek

    2014-08-28

    The solid-state thermolysis of ammonia borane (NH3BH3, AB) was explored using state-of-the-art 15N solid-state NMR spectroscopy, including 2D indirectly detected 1H{15N} heteronuclear correlation and dynamic nuclear polarization (DNP)-enhanced 15N{1H} cross-polarization experiments as well as 11B NMR. The complementary use of 15N and 11B NMR experiments, supported by density functional theory calculations of the chemical shift tensors, provided insights into the dehydrogenation mechanism of AB—insights that have not been available by 11B NMR alone. Specifically, highly branched polyaminoborane derivatives were shown to form from AB via oligomerization in the “head-to-tail” manner, which then transform directly into hexagonal boron nitride analog through the dehydrocyclization reaction, bypassing the formation of polyiminoborane.

  6. Microwave frequency modulation for improving polarization transfer in DNP experiments

    NASA Astrophysics Data System (ADS)

    Guy, Mallory; Ramanathan, Chandrasekhar

    Dynamic nuclear polarization (DNP) is a driven process that transfers the inherently high electron polarization to surrounding nuclear spins via microwave irradiation at or near the electron Larmor frequency. In a typical DNP experiment, the amplitude and frequency of the applied microwaves are constant. However, by adding time dependence in the form of frequency modulation, the electron excitation bandwidth is increased, thereby increasing the number of electron spins active in the polarization transfer process and improving overall efficiency. Both triangular and sinusoidal modulation show a 3 fold improvement over monochromatic irradiation. In the present study, we compare the nuclear spin polarization after DNP experiments with no modulation of the applied microwaves, triangular and sinusoidal modulation, and modulation schemes derived from the sample's ESR spectrum. We characterize the polarization as a function of the modulation amplitude and frequency and compare the optimal results from each modulation scheme. Working at a field of 3.34 T and at a temperature of 4 K, we show that by using a modulation scheme tailored to the electronic environment of the sample, polarization transfer is improved over other modulation schemes. Small-scale simulations of the spin system are developed to gain further insight into the dynamics of this driven open system. This understanding could enable the design of modulation schemes to achieve even higher polarization transfer efficiencies. With support from NSF (CHE-1410504) and by NIH (U19-A1091173).

  7. Measurement of analyzing power for proton-carbon elastic scattering in the coulomb-nuclear interference region with a 22-GeV/c polarized proton beam.

    PubMed

    Tojo, J; Alekseev, I; Bai, M; Bassalleck, B; Bunce, G; Deshpande, A; Doskow, J; Eilerts, S; Fields, D E; Goto, Y; Huang, H; Hughes, V; Imai, K; Ishihara, M; Kanavets, V; Kurita, K; Kwiatkowski, K; Lewis, B; Lozowski, W; Makdisi, Y; Meyer, H-O; Morozov, B V; Nakamura, M; Przewoski, B; Rinckel, T; Roser, T; Rusek, A; Saito, N; Smith, B; Svirida, D; Syphers, M; Taketani, A; Thomas, T L; Underwood, D; Wolfe, D; Yamamoto, K; Zhu, L

    2002-07-29

    The analyzing power for proton-carbon elastic scattering in the Coulomb-nuclear interference region of momentum transfer, 9.0x10(-3)<-t<4.1x10(-2) (GeV/c)(2), was measured with a 21.7 GeV/c polarized proton beam at the Alternating Gradient Synchrotron of Brookhaven National Laboratory. The ratio of hadronic spin-flip to nonflip amplitude, r(5), was obtained from the analyzing power to be Rer(5)=0.088+/-0.058 and Imr(5)=-0.161+/-0.226. PMID:12144435

  8. An experimental set-up to apply polarization modulation to infrared reflection absorption spectroscopy for improved in situ studies of atmospheric corrosion processes

    SciTech Connect

    Wiesinger, R.; Schade, U.; Kleber, Ch.; Schreiner, M.

    2014-06-15

    A new set-up for improved monitoring of atmospheric corrosion processes in situ and in real-time is presented. To characterize chemical structures of thin films on metal surfaces surface sensitive analytical techniques are required. One possible technique is Infrared Reflection Absorption Spectroscopy (IRRAS) which has become an established method to investigate surface corrosion films of thicknesses less than 200 nm. However, there are limitations related to the sensitivity of these measurements, in case of investigating ultrathin films or absorption bands of interest, surface species are superimposed by atmospheric background absorption, which changes during in situ measurements in ambient atmospheres. These difficulties of in situ surface reflection measurements can be eliminated by availing the polarization selectivity of adsorbed surface species. At grazing angles of incidence the absorption of p-polarized infrared radiation by thin surface films on metals is enhanced, while the absorption of s-polarized light by this film is nearly zero. This different behavior of the polarization properties leads to strong selection rules at the surface and can therefore be used to identify molecules adsorbed on metal surfaces. Polarization Modulation (PM) of the infrared (IR) light takes advantage of this disparity of polarization on sample surfaces and in combination with IRRAS yielding a very sensitive and surface-selective method for obtaining IR spectra of ultra-thin films on metal surfaces. An already existing in situ IRRAS/Quartz Crystal Microbalance weathering cell was combined with PM and evaluated according to its applicability to study in situ atmospheric corrosion processes. First real-time measurements on silver samples exposed to different atmospheres were performed showing the advantage of PM-IRRAS compared to conventional IRRAS for such investigations.

  9. An experimental set-up to apply polarization modulation to infrared reflection absorption spectroscopy for improved in situ studies of atmospheric corrosion processes.

    PubMed

    Wiesinger, R; Schade, U; Kleber, Ch; Schreiner, M

    2014-06-01

    A new set-up for improved monitoring of atmospheric corrosion processes in situ and in real-time is presented. To characterize chemical structures of thin films on metal surfaces surface sensitive analytical techniques are required. One possible technique is Infrared Reflection Absorption Spectroscopy (IRRAS) which has become an established method to investigate surface corrosion films of thicknesses less than 200 nm. However, there are limitations related to the sensitivity of these measurements, in case of investigating ultrathin films or absorption bands of interest, surface species are superimposed by atmospheric background absorption, which changes during in situ measurements in ambient atmospheres. These difficulties of in situ surface reflection measurements can be eliminated by availing the polarization selectivity of adsorbed surface species. At grazing angles of incidence the absorption of p-polarized infrared radiation by thin surface films on metals is enhanced, while the absorption of s-polarized light by this film is nearly zero. This different behavior of the polarization properties leads to strong selection rules at the surface and can therefore be used to identify molecules adsorbed on metal surfaces. Polarization Modulation (PM) of the infrared (IR) light takes advantage of this disparity of polarization on sample surfaces and in combination with IRRAS yielding a very sensitive and surface-selective method for obtaining IR spectra of ultra-thin films on metal surfaces. An already existing in situ IRRAS/Quartz Crystal Microbalance weathering cell was combined with PM and evaluated according to its applicability to study in situ atmospheric corrosion processes. First real-time measurements on silver samples exposed to different atmospheres were performed showing the advantage of PM-IRRAS compared to conventional IRRAS for such investigations. PMID:24985826

  10. An experimental set-up to apply polarization modulation to infrared reflection absorption spectroscopy for improved in situ studies of atmospheric corrosion processes

    NASA Astrophysics Data System (ADS)

    Wiesinger, R.; Schade, U.; Kleber, Ch.; Schreiner, M.

    2014-06-01

    A new set-up for improved monitoring of atmospheric corrosion processes in situ and in real-time is presented. To characterize chemical structures of thin films on metal surfaces surface sensitive analytical techniques are required. One possible technique is Infrared Reflection Absorption Spectroscopy (IRRAS) which has become an established method to investigate surface corrosion films of thicknesses less than 200 nm. However, there are limitations related to the sensitivity of these measurements, in case of investigating ultrathin films or absorption bands of interest, surface species are superimposed by atmospheric background absorption, which changes during in situ measurements in ambient atmospheres. These difficulties of in situ surface reflection measurements can be eliminated by availing the polarization selectivity of adsorbed surface species. At grazing angles of incidence the absorption of p-polarized infrared radiation by thin surface films on metals is enhanced, while the absorption of s-polarized light by this film is nearly zero. This different behavior of the polarization properties leads to strong selection rules at the surface and can therefore be used to identify molecules adsorbed on metal surfaces. Polarization Modulation (PM) of the infrared (IR) light takes advantage of this disparity of polarization on sample surfaces and in combination with IRRAS yielding a very sensitive and surface-selective method for obtaining IR spectra of ultra-thin films on metal surfaces. An already existing in situ IRRAS/Quartz Crystal Microbalance weathering cell was combined with PM and evaluated according to its applicability to study in situ atmospheric corrosion processes. First real-time measurements on silver samples exposed to different atmospheres were performed showing the advantage of PM-IRRAS compared to conventional IRRAS for such investigations.

  11. NanoSIMS and Micro-Raman Spectroscopy applied to the Analysis of Uranium Oxyfluoride Particles for Nuclear Safeguards

    NASA Astrophysics Data System (ADS)

    Kips, R.; Kristo, M.; Crowhurst, J.; Stefaniak, E.; Hutcheon, I. D.

    2010-12-01

    Environmental swipe sampling is used by safeguards organizations to verify the absence of undeclared nuclear activities. Particulate material collected in environmental swipe samples is typically analyzed for its uranium isotopic composition. At enrichment facilities, these swipe samples often contain UO2F2 particles formed from the hydrolysis of uranium hexafluoride gas. Since UO2F2 particulate material has been found to be unstable with respect to the loss of fluorine (J.A. Carter et al. Task A.200.3 K/NSP-777, 1998) the measurement of the residual amount of fluorine has the potential of placing boundaries on the particle’s age and exposure history. To investigate the decomposition of UO2F2 and its potential applications in nuclear safeguards and nuclear forensics, a suite of micro-analytical tools was applied to a set of lab-synthesized UO2F2 particles. Samples were either stored in an inert atmosphere or exposed to different levels of humidity, temperature and light to identify those environmental conditions that accelerate the decomposition of UO2F2. Given the small size of the particles, secondary ion mass spectrometry with nanometer-scale spatial resolution (NanoSIMS) was used to measure the relative amount of fluorine. The elemental data from the NanoSIMS was complemented with micro-Raman spectroscopy for molecular fingerprinting. These measurements showed that even though the decomposition of UO2F2 generally happens very slowly, subtle differences can be distinguished depending on the environmental conditions to which they were exposed. The exposure to humidity was identified as the main factor accelerating the loss of fluorine in UO2F2 particles. Particles exposed to 30 % relative humidity and higher showed a decrease in the relative amount of fluorine and a shift of the UO22+ symmetric stretching frequency towards lower frequencies. These changes were attributed to an increase in hydration of the UO2F2 particles. This work was performed under the

  12. Measuring the spin polarization of alkali-metal atoms using nuclear magnetic resonance frequency shifts of noble gases

    SciTech Connect

    Liu, X. H.; Luo, H.; Qu, T. L. Yang, K. Y.; Ding, Z. C.

    2015-10-15

    We report a novel method of measuring the spin polarization of alkali-metal atoms by detecting the NMR frequency shifts of noble gases. We calculated the profile of {sup 87}Rb D1 line absorption cross sections. We then measured the absorption profile of the sample cell, from which we calculated the {sup 87}Rb number densities at different temperatures. Then we measured the frequency shifts resulted from the spin polarization of the {sup 87}Rb atoms and calculated its polarization degrees at different temperatures. The behavior of frequency shifts versus temperature in experiment was consistent with theoretical calculation, which may be used as compensative signal for the NMRG closed-loop control system.

  13. Investigation of parameter-free model polarization potentials for electron-molecule scattering calculations including the nuclear motion

    SciTech Connect

    Morrison, M.A.; Saha, B.C.

    1986-10-01

    A correlation-polarization potential originally introduced by O'Connell and Lane (Phys. Rev. A 27, 1893 (1983)) is used in e-H/sub 2/ scattering calculations in which the vibrational motion of the target is taken into account. Eigenphase sums (as a function of internuclear separation) and cross sections for elastic scattering and for rovibrational excitations are compared to their counterparts calculated using the ab initio nonadiabatic model polarization potential of Gibson and Morrison (Phys. Rev. A 29, 2497 (1984)). At low energies, these scattering quantities are found to be quite sensitive to the treatment of polarization. To assess these model potentials, theoretical total, momentum transfer, and rotational- and vibrational-excitation cross sections are compared to experimental data.

  14. Anisotropic nuclear-spin diffusion in double quantum wells

    NASA Astrophysics Data System (ADS)

    Hatano, T.; Kume, W.; Watanabe, S.; Akiba, K.; Nagase, K.; Hirayama, Y.

    2015-03-01

    Nuclear spin diffusion in double quantum wells (QWs) is examined by using dynamic nuclear polarization (DNP) at a Landau level filling factor ν =2 /3 spin phase transition (SPT). The longitudinal resistance increases during the DNP of one of the two QW (the "polarization QW") by means of a large applied current and starts to decrease just after the termination of the DNP. On the other hand, the longitudinal resistance of the other QW (the "detection QW") continuously increases for approximately 2 h after the termination of the DNP of the polarization QW. It is therefore concluded that the nuclear spins diffuse from the polarization QW to the detection QW. The time evolution of the longitudinal resistance of the polarization QW is explained mainly by the nuclear spin diffusion in the in-plane direction. In contrast, that of the detection QW manifests much slower nuclear diffusion in the perpendicular direction through the AlGaAs barrier.

  15. Process dependent nuclear k⊥ broadening effect

    NASA Astrophysics Data System (ADS)

    Schäfer, Andreas; Zhou, Jian

    2013-10-01

    We study the process dependent nuclear k⊥ broadening effect by employing the transverse momentum dependent (TMD) factorization approach in combination with the Mclerran-Venugopalan model. More specifically, we investigate how the parton transverse momentum distributions are affected by the process dependent gauge links in cold nuclear matter. In particular, our analysis also applies to the polarized cases including the nuclear quark Boer-Mulders function and the linearly polarized gluon distribution. Our main focus is on the nuclear TMDs at intermediate or large x.

  16. The role of Pleistocene glaciations in shaping the evolution of polar and brown bears. Evidence from a critical review of mitochondrial and nuclear genome analyses.

    PubMed

    Hassanin, Alexandre

    2015-07-01

    In this report, I review recent molecular studies dealing with the origin and evolution of polar bears (Ursus maritimus), with special emphasis on their relationships with brown bears (U. arctos). On the basis of mitochondrial and nuclear data, different hypotheses have been proposed, including rapid morphological differentiation of U. maritimus, genetic introgression from U. arctos into U. maritimus, or inversely from U. maritimus into U. arctos, involving either male- or female-mediated gene flow. In the light of available molecular and eco-ethological data, I suggest, firstly, that all divergences among major clades of large bears can be linked to glacial periods, secondly, that polar bears diverged from brown bears before 530 thousand years ago (ka), during one of the three glacial marine isotope stages (MIS) 14, 15.2 or 16, and, thirdly, that genetic introgression had occurred from female polar bears into brown bear populations during at least two glacial periods, at 340 ± 10 ka (MIS 10) in western Europe, and at 155 ± 5 ka (MIS 6) on the ABC islands of southeastern Alaska, and probably also in Beringia and Ireland based on ancient DNA sequences. PMID:26026577

  17. Helium-cooling and -spinning dynamic nuclear polarization for sensitivity-enhanced solid-state NMR at 14 T and 30 K.

    PubMed

    Matsuki, Yoh; Ueda, Keisuke; Idehara, Toshitaka; Ikeda, Ryosuke; Ogawa, Isamu; Nakamura, Shinji; Toda, Mitsuru; Anai, Takahiro; Fujiwara, Toshimichi

    2012-12-01

    We describe a (1)H polarization enhancement via dynamic nuclear polarization (DNP) at very low sample temperature T≈30 K under magic-angle spinning (MAS) conditions for sensitivity-enhanced solid-state NMR measurement. Experiments were conducted at a high external field strength of 14.1 T. For MAS DNP experiments at T<90 K, a new probe system using cold helium gas for both sample-cooling and -spinning was developed. The novel system can sustain a low sample temperature between 30 and 90K for a period of time >10 h under MAS at ν(R)≈3 kHz with liquid He consumption of ≈6 L/h. As a microwave source, we employed a high-power, continuously frequency-tunable gyrotron. At T≈34 K, (1)H DNP enhancement factors of 47 and 23 were observed with and without MAS, respectively. On the basis of these observations, a discussion on the total NMR sensitivity that takes into account the effect of sample temperature and external field strength used in DNP experiments is presented. It was determined that the use of low sample temperature and high external field is generally rewarding for the total sensitivity, in spite of the slower polarization buildup at lower temperature and lower DNP efficiency at higher field. These findings highlight the potential of the current continuous-wave DNP technique also at very high field conditions suitable to analyze large and complex systems, such as biological macromolecules. PMID:23079589

  18. H{sub {infinity}} Control Theory Applied to Xenon Control for Load-Following Operation of a Nuclear Reactor

    SciTech Connect

    Chi, Sung Goo; Cho, Nam Zin

    2002-02-15

    A robust controller is designed by applying the H{sub {infinity}} optimal control theory to the xenon control for the load-following operation of a nuclear reactor. The set of reactor model equations for controller design is a stiff system. This singularly perturbed system arises from the interaction of slow dynamics modes (iodine and xenon concentrations) and fast dynamics modes (neutron density, fuel and coolant temperatures). The singular perturbation technique is used to overcome this stiffness problem. The design specifications are incorporated by the frequency weights using the mixed-sensitivity problem approach. The robustness of H{sub {infinity}} control is demonstrated by comparing it with linear quadratic Gaussian (LQG) control in the case of a measurement delay of the power measurement system.Since the gains and phase margins of H{sub {infinity}} control are larger than those of LQG control, the H{sub {infinity}} control is expected to provide excellent stability robustness and performance robustness against external disturbances and noises, model parameter variations, and modeling errors as well as hardware failures. It may also provide a practical design method because the design specifications can be easily implemented by the frequency weights.

  19. Continuous flow Overhauser dynamic nuclear polarization of water in the fringe field of a clinical magnetic resonance imaging system for authentic image contrast

    PubMed Central

    Lingwood, Mark D.; Siaw, Ting Ann; Sailasuta, Napapon; Ross, Brian D.; Bhattacharya, Pratip; Han, Songi

    2016-01-01

    We describe and demonstrate a system to generate hyperpolarized water in the 0.35 T fringe field of a clinical 1.5 T whole-body magnetic resonance imaging (MRI) magnet. Once generated, the hyperpolarized water is quickly and continuously transferred from the 0.35 T fringe to the 1.5 T center field of the same magnet for image acquisition using standard MRI equipment. The hyperpolarization is based on Overhauser dynamic nuclear polarization (DNP), which effectively and quickly transfers the higher spin polarization of free radicals to nuclear spins at ambient temperatures. We visualize the dispersion of hyperpolarized water as it flows through water-saturated systems by utilizing an observed −15 fold DNP signal enhancement with respect to the unenhanced 1H MRI signal of water at 1.5 T. The experimental DNP apparatus presented here is readily portable and can be brought to and used with any conventional unshielded MRI system. A new method of immobilizing radicals to gel beads via polyelectrolyte linker arms is described, which led to superior flow Overhauser DNP performance compared to previously presented gels. We discuss the general applicability of Overhauser DNP hyperpolarization of water and aqueous solutions in the fringe field of commercially available magnets with central fields up to 4.7 Tesla. PMID:20541445

  20. Influence of non-aqueous phase liquid configuration on induced polarization parameters: Conceptual models applied to a time-domain field case study

    NASA Astrophysics Data System (ADS)

    Johansson, Sara; Fiandaca, Gianluca; Dahlin, Torleif

    2015-12-01

    Resistivity and induced polarization (IP) measurements on soil contaminated with non-aqueous phase liquids (NAPLs) show a great variety in results in previous research. Several laboratory studies have suggested that the presence of NAPLs in soil samples generally decrease the magnitude of the IP-effect, while others have indicated the opposite. A number of conceptual models have been proposed suggesting that NAPLs can alter the pore space in different ways, e.g. by coating the grain surfaces and thus inhibiting grain polarization, or by changing the pore throat size and thus affecting the membrane polarization mechanism. The main aim of this paper is to review previously published conceptual models and to introduce some new concepts of possible residual NAPL configurations in the pore space. Time domain induced polarization measurements were performed at a NAPL contaminated field site, and the data were inverted using the Constant Phase Angle (CPA) model and the Cole-Cole model respectively. No significant phase anomalies were observed in the source area of the contamination when the CPA inverted profiles were compared with soil sampling results of free-phase contaminant concentrations. However, relatively strong phase and normalized phase anomalies appeared next to the source area, where residual free-phase presence could be expected according to the chemical data. We conclude that depending on the NAPL configuration, different spectral IP responses can be expected. In previous research, the NAPL configurations in different samples or field sites are often unknown, and this may to some extent explain why different results have been achieved by different authors. In our field case, we believe that the NAPL forms a more or less continuous phase in the pore space of the source zone leading to an absence of IP anomalies. The increase in phase and normalized phase angle observed next to the source zone is interpreted as a degradation zone. The ongoing biodegradation

  1. Response to comment on "Nuclear genomic sequences reveal that polar bears are an old and distinct bear lineage".

    PubMed

    Hailer, Frank; Kutschera, Verena E; Hallström, Björn M; Fain, Steven R; Leonard, Jennifer A; Arnason, Ulfur; Janke, Axel

    2013-03-29

    Nakagome et al. reanalyzed some of our data and assert that we cannot refute the mitochondrial DNA-based scenario for polar bear evolution. Their single-locus test statistic is strongly affected by introgression and incomplete lineage sorting, whereas our multilocus approaches are better suited to recover the true species relationships. Indeed, our sister-lineage model receives high support in a Bayesian model comparison. PMID:23539581

  2. Polarized negative ions

    SciTech Connect

    Haeberli, W.

    1981-04-01

    This paper presents a survey of methods, commonly in use or under development, to produce beams of polarized negative ions for injection into accelerators. A short summary recalls how the hyperfine interaction is used to obtain nuclear polarization in beams of atoms. Atomic-beam sources for light ions are discussed. If the best presently known techniques are incorporated in all stages of the source, polarized H/sup -/ and D/sup -/ beams in excess of 10 ..mu..A can probably be achieved. Production of polarized ions from fast (keV) beams of polarized atoms is treated separately for atoms in the H(25) excited state (Lamb-Shift source) and atoms in the H(1S) ground state. The negative ion beam from Lamb-Shift sources has reached a plateau just above 1 ..mu..A, but this beam current is adequate for many applications and the somewhat lower beam current is compensated by other desirable characteristics. Sources using fast polarized ground state atoms are in a stage of intense development. The next sections summarize production of polarized heavy ions by the atomic beam method, which is well established, and by optical pumping, which has recently been demonstrated to yield very large nuclear polarization. A short discussion of proposed ion sources for polarized /sup 3/He/sup -/ ions is followed by some concluding remarks.

  3. Climate Drives Polar Bear Origins

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In their provocative analysis of northern bears (“Nuclear genomic sequences reveal that polar bears are an old and distinct bear lineage,” Reports, 20 April, p. 344), F. Hailer et al. use independent nuclear loci to show that polar bears originated during the middle Pleistocene, rather than during t...

  4. Level crossing analysis of chemically induced dynamic nuclear polarization: Towards a common description of liquid-state and solid-state cases

    NASA Astrophysics Data System (ADS)

    Sosnovsky, Denis V.; Jeschke, Gunnar; Matysik, Jörg; Vieth, Hans-Martin; Ivanov, Konstantin L.

    2016-04-01

    Chemically Induced Dynamic Nuclear Polarization (CIDNP) is an efficient method of creating non-equilibrium polarization of nuclear spins by using chemical reactions, which have radical pairs as intermediates. The CIDNP effect originates from (i) electron spin-selective recombination of radical pairs and (ii) the dependence of the inter-system crossing rate in radical pairs on the state of magnetic nuclei. The CIDNP effect can be investigated by using Nuclear Magnetic Resonance (NMR) methods. The gain from CIDNP is then two-fold: it allows one to obtain considerable amplification of NMR signals; in addition, it provides a very useful tool for investigating elusive radicals and radical pairs. While the mechanisms of the CIDNP effect in liquids are well established and understood, detailed analysis of solid-state CIDNP mechanisms still remains challenging; likewise a common theoretical frame for the description of CIDNP in both solids and liquids is missing. Difficulties in understanding the spin dynamics that lead to the CIDNP effect in the solid-state case are caused by the anisotropy of spin interactions, which increase the complexity of spin evolution. In this work, we propose to analyze CIDNP in terms of level crossing phenomena, namely, to attribute features in the CIDNP magnetic field dependence to Level Crossings (LCs) and Level Anti-Crossings (LACs) in a radical pair. This approach allows one to describe liquid-state CIDNP; the same holds for the solid-state case where anisotropic interactions play a significant role in CIDNP formation. In solids, features arise predominantly from LACs, since in most cases anisotropic couplings result in perturbations, which turn LCs into LACs. We have interpreted the CIDNP mechanisms in terms of the LC/LAC concept. This consideration allows one to find analytical expressions for a wide magnetic field range, where several different mechanisms are operative; furthermore, the LAC description gives a way to determine CIDNP sign

  5. Polar Textures

    NASA Technical Reports Server (NTRS)

    2005-01-01

    [figure removed for brevity, see original site] Context image for PIA03646 Polar Textures

    This VIS image shows part of the south polar region. The ejecta from the relatively young crater covers the rougher textured polar surface.

    Image information: VIS instrument. Latitude 81S, Longitude 54.5E. 17 meter/pixel resolution.

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

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

  6. Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit. IV. Application to the second solar spectrum of the Na i D1 and D2 lines

    NASA Astrophysics Data System (ADS)

    Bommier, Véronique

    2016-06-01

    Context. The spectrum of the linear polarization, which is formed by scattering and observed on the solar disk close to the limb, is very different from the intensity spectrum and thus able to provide new information, in particular about anisotropies in the solar surface plasma and magnetic fields. In addition, a large number of lines show far wing polarization structures assigned to partial redistribution (PRD), which we prefer to denote as Rayleigh/Raman scattering. The two-level or two-term atom approximation without any lower level polarization is insufficient for many lines. Aims: In the previous paper of this series, we presented our theory generalized to the multilevel and multiline atom and comprised of statistical equilibrium equations for the atomic density matrix elements and radiative transfer equation for the polarized radiation. The present paper is devoted to applying this theory to model the second solar spectrum of the Na i D1 and D2 lines. Methods: The solution method is iterative, of the lambda-iteration type. The usual acceleration techniques were considered or even applied, but we found these to be unsuccessful, in particular because of nonlinearity or large number of quantities determining the radiation at each depth. Results: The observed spectrum is qualitatively reproduced in line center, but the convergence is yet to be reached in the far wings and the observed spectrum is not totally reproduced there. Conclusions: We need to investigate noniterative resolution methods. The other limitation lies in the one-dimensional (1D) atmosphere model, which is unable to reproduce the intermittent matter structure formed of small loops or spicules in the chromosphere. This modeling is rough, but the computing time in the presence of hyperfine structure and PRD prevents us from envisaging a three-dimensional (3D) model at this instant.

  7. Spherical polar co-ordinate calculations of induced fields in the retina and head for applied magnetic fields at 50 Hz.

    PubMed

    Dimbylow, Peter

    2011-07-21

    This paper sets out to explore the effects of voxel resolution, from 2 mm down to 0.1 mm for Cartesian co-ordinates and the differences between Cartesian and spherical polar co-ordinates for a standardized test-bed model of the eye. This model was taken from the work of Yoriyaz et al (2005 Radiat. Prot. Dosim. 115 316-9) who have developed a detailed geometric description of the eye including choroid, retina, sclera, lens, cornea, anterior chamber, vitreous humour and optic nerve for ophthalmic brachytherapy. The spherical co-ordinate model has radial and angular steplengths of 0.1 mm and 0.25°, respectively. The current density averaged over 1 cm(2) and the 99th percentile value of the induced electric field have been calculated in the retina and central nervous system for uniform magnetic fields. The Cartesian co-ordinate calculations proceed in a sequence of grids at 2, 1, 0.5, 0.2 and 0.1 mm resolution with the potentials from the previous calculation at a coarser grid providing the boundary conditions on the finer grid. The 0.2 mm grid provides the boundary conditions for the spherical polar calculations. Comparisons are made with the International Commission on Non-Ionizing Radiation Protection reference levels. PMID:21725142

  8. Multi-matrix, dual polarity, tandem mass spectrometry imaging strategy applied to a germinated maize seed: toward mass spectrometry imaging of an untargeted metabolome

    SciTech Connect

    Feenstra, Adam D.; Hansen, Rebecca L.; Lee, Young Jin

    2015-08-27

    Mass spectrometry imaging (MSI) provides high spatial resolution information that is unprecedented in traditional metabolomics analyses; however, the molecular coverage is often limited to a handful of compounds and is insufficient to understand overall metabolomic changes of a biological system. Here, we propose an MSI methodology to increase the diversity of chemical compounds that can be imaged and identified, in order to eventually perform untargeted metabolomic analysis using MSI. We use the desorption/ionization bias of various matrixes for different metabolite classes along with dual polarities and a tandem MSI strategy. The use of multiple matrixes and dual polarities allows us to visualize various classes of compounds, while data-dependent MS/MS spectra acquired in the same MSI scans allow us to identify the compounds directly on the tissue. In a proof of concept application to a germinated corn seed, a total of 166 unique ions were determined to have high-quality MS/MS spectra, without counting structural isomers, of which 52 were identified as unique compounds. According to an estimation based on precursor MSI datasets, we expect over five hundred metabolites could be potentially identified and visualized once all experimental conditions are optimized and an MS/MS library is available. Finally, metabolites involved in the glycolysis pathway and tricarboxylic acid cycle were imaged to demonstrate the potential of this technology to better understand metabolic biology.

  9. Multi-matrix, dual polarity, tandem mass spectrometry imaging strategy applied to a germinated maize seed: toward mass spectrometry imaging of an untargeted metabolome.

    PubMed

    Feenstra, Adam D; Hansen, Rebecca L; Lee, Young Jin

    2015-11-01

    Mass spectrometry imaging (MSI) provides high spatial resolution information that is unprecedented in traditional metabolomics analyses; however, the molecular coverage is often limited to a handful of compounds and is insufficient to understand overall metabolomic changes of a biological system. Here, we propose an MSI methodology to increase the diversity of chemical compounds that can be imaged and identified, in order to eventually perform untargeted metabolomic analysis using MSI. In this approach, we use the desorption/ionization bias of various matrixes for different metabolite classes along with dual polarities and a tandem MSI strategy. The use of multiple matrixes and dual polarities allows us to visualize various classes of compounds, while data-dependent MS/MS spectra acquired in the same MSI scans allow us to identify the compounds directly on the tissue. In a proof of concept application to a germinated corn seed, a total of 166 unique ions were determined to have high-quality MS/MS spectra, without counting structural isomers, of which 52 were identified as unique compounds. According to an estimation based on precursor MSI datasets, we expect over five hundred metabolites could be potentially identified and visualized once all experimental conditions are optimized and an MS/MS library is available. Lastly, metabolites involved in the glycolysis pathway and tricarboxylic acid cycle were imaged to demonstrate the potential of this technology to better understand metabolic biology. PMID:26339687

  10. Multi-matrix, dual polarity, tandem mass spectrometry imaging strategy applied to a germinated maize seed: toward mass spectrometry imaging of an untargeted metabolome

    DOE PAGESBeta

    Feenstra, Adam D.; Hansen, Rebecca L.; Lee, Young Jin

    2015-08-27

    Mass spectrometry imaging (MSI) provides high spatial resolution information that is unprecedented in traditional metabolomics analyses; however, the molecular coverage is often limited to a handful of compounds and is insufficient to understand overall metabolomic changes of a biological system. Here, we propose an MSI methodology to increase the diversity of chemical compounds that can be imaged and identified, in order to eventually perform untargeted metabolomic analysis using MSI. We use the desorption/ionization bias of various matrixes for different metabolite classes along with dual polarities and a tandem MSI strategy. The use of multiple matrixes and dual polarities allows usmore » to visualize various classes of compounds, while data-dependent MS/MS spectra acquired in the same MSI scans allow us to identify the compounds directly on the tissue. In a proof of concept application to a germinated corn seed, a total of 166 unique ions were determined to have high-quality MS/MS spectra, without counting structural isomers, of which 52 were identified as unique compounds. According to an estimation based on precursor MSI datasets, we expect over five hundred metabolites could be potentially identified and visualized once all experimental conditions are optimized and an MS/MS library is available. Finally, metabolites involved in the glycolysis pathway and tricarboxylic acid cycle were imaged to demonstrate the potential of this technology to better understand metabolic biology.« less

  11. Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations

    PubMed Central

    2015-01-01

    Despite the widespread use of amorphous aluminosilicates (ASA) in various industrial catalysts, the nature of the interface between silica and alumina and the atomic structure of the catalytically active sites are still subject to debate. Here, by the use of dynamic nuclear polarization surface enhanced NMR spectroscopy (DNP SENS) and density functional theory (DFT) calculations, we show that on silica and alumina surfaces, molecular aluminum and silicon precursors are, respectively, preferentially grafted on sites that enable the formation of Al(IV) and Si(IV) interfacial sites. We also link the genesis of Brønsted acidity to the surface coverage of aluminum and silicon on silica and alumina, respectively. PMID:26244620

  12. Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations.

    PubMed

    Valla, Maxence; Rossini, Aaron J; Caillot, Maxime; Chizallet, Céline; Raybaud, Pascal; Digne, Mathieu; Chaumonnot, Alexandra; Lesage, Anne; Emsley, Lyndon; van Bokhoven, Jeroen A; Copéret, Christophe

    2015-08-26

    Despite the widespread use of amorphous aluminosilicates (ASA) in various industrial catalysts, the nature of the interface between silica and alumina and the atomic structure of the catalytically active sites are still subject to debate. Here, by the use of dynamic nuclear polarization surface enhanced NMR spectroscopy (DNP SENS) and density functional theory (DFT) calculations, we show that on silica and alumina surfaces, molecular aluminum and silicon precursors are, respectively, preferentially grafted on sites that enable the formation of Al(IV) and Si(IV) interfacial sites. We also link the genesis of Brønsted acidity to the surface coverage of aluminum and silicon on silica and alumina, respectively. PMID:26244620

  13. Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy

    SciTech Connect

    Guo, Zhiyong; Kobayashi, Takeshi; Wang, Lin-Lin; Goh, Tian Wei; Xiao, Chaoxian; Caporini, Marc A; Rosay, Melanie; Johnson, Duane D; Pruski, Marek; Huang, Wenyu

    2014-10-08

    The host–guest interaction between metal ions (Pt2+ and Cu2+) and a zirconium metal–organic framework (UiO-66-NH2) was explored using dynamic nuclear polarization-enhanced 15N{1H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt2+ coordinates with two NH2 groups from the MOF and two Cl- from the metal precursor, whereas Cu2+ do not form chemical bonds with the NH2 groups of the MOF framework. Density functional calculations reveal that Pt2+ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.

  14. Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks Using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy

    SciTech Connect

    Guo, Zhiyong; Kobayashi, Takeshi; Wang, Lin-Lin; Goh, Tian Wei; Xiao, Chaoxian; Caporini, Marc A.; Rosay, Melanie; Johnson, Duane D.; Pruski, Marek; Huang, Wenyu

    2014-10-08

    The host–guest interaction between metal ions (Pt²⁺ and Cu²⁺) and a zirconium metal–organic framework (UiO-66-NH₂) was explored using dynamic nuclear polarization-enhanced ¹⁵N{¹H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt²⁺ coordinates with two NH₂ groups from the MOF and two Cl⁻ from the metal precursor, whereas Cu²⁺ do not form chemical bonds with the NH₂ groups of the MOF framework. Density functional calculations reveal that Pt²⁺ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.

  15. Solid-State Dynamic Nuclear Polarization at 9.4 and 18.8 T from 100 K to Room Temperature

    PubMed Central

    2015-01-01

    Efficient dynamic nuclear polarization (DNP) in solids, which enables very high sensitivity NMR experiments, is currently limited to temperatures of around 100 K and below. Here we show how by choosing an adequate solvent, 1H cross effect DNP enhancements of over 80 can be obtained at 240 K. To achieve this we use the biradical TEKPol dissolved in a glassy phase of ortho-terphenyl (OTP). We study the solvent DNP enhancement of both TEKPol and BDPA in OTP in the range from 100 to 300 K at 9.4 and 18.8 T. Surprisingly, we find that the DNP enhancement decreases only relatively slowly for temperatures below the glass transition of OTP (Tg = 243 K), and 1H enhancements around 15–20 at ambient temperature can be observed. We use this to monitor molecular dynamic transitions in the pharmaceutically relevant solids Ambroxol and Ibuprofen. PMID:26555676

  16. Selective host-guest interaction between metal ions and metal-organic frameworks using dynamic nuclear polarization enhanced solid-state NMR spectroscopy.

    PubMed

    Guo, Zhiyong; Kobayashi, Takeshi; Wang, Lin-Lin; Goh, Tian Wei; Xiao, Chaoxian; Caporini, Marc A; Rosay, Melanie; Johnson, Duane D; Pruski, Marek; Huang, Wenyu

    2014-12-01

    The host-guest interaction between metal ions (Pt(2+) and Cu(2+) ) and a zirconium metal-organic framework (UiO-66-NH2 ) was explored using dynamic nuclear polarization-enhanced (15) N{(1) H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt(2+) coordinates with two NH2 groups from the MOF and two Cl(-) from the metal precursor, whereas Cu(2+) do not form chemical bonds with the NH2 groups of the MOF framework. Density functional calculations reveal that Pt(2+) prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations. PMID:25297002

  17. Solid-State Dynamic Nuclear Polarization at 9.4 and 18.8 T from 100 K to Room Temperature.

    PubMed

    Lelli, Moreno; Chaudhari, Sachin R; Gajan, David; Casano, Gilles; Rossini, Aaron J; Ouari, Olivier; Tordo, Paul; Lesage, Anne; Emsley, Lyndon

    2015-11-25

    Efficient dynamic nuclear polarization (DNP) in solids, which enables very high sensitivity NMR experiments, is currently limited to temperatures of around 100 K and below. Here we show how by choosing an adequate solvent, (1)H cross effect DNP enhancements of over 80 can be obtained at 240 K. To achieve this we use the biradical TEKPol dissolved in a glassy phase of ortho-terphenyl (OTP). We study the solvent DNP enhancement of both TEKPol and BDPA in OTP in the range from 100 to 300 K at 9.4 and 18.8 T. Surprisingly, we find that the DNP enhancement decreases only relatively slowly for temperatures below the glass transition of OTP (Tg = 243 K), and (1)H enhancements around 15-20 at ambient temperature can be observed. We use this to monitor molecular dynamic transitions in the pharmaceutically relevant solids Ambroxol and Ibuprofen. PMID:26555676

  18. Helium-cooling and -spinning dynamic nuclear polarization for sensitivity-enhanced solid-state NMR at 14 T and 30 K

    NASA Astrophysics Data System (ADS)

    Matsuki, Yoh; Ueda, Keisuke; Idehara, Toshitaka; Ikeda, Ryosuke; Ogawa, Isamu; Nakamura, Shinji; Toda, Mitsuru; Anai, Takahiro; Fujiwara, Toshimichi

    2012-12-01

    We describe a 1H polarization enhancement via dynamic nuclear polarization (DNP) at very low sample temperature T ≈ 30 K under magic-angle spinning (MAS) conditions for sensitivity-enhanced solid-state NMR measurement. Experiments were conducted at a high external field strength of 14.1 T. For MAS DNP experiments at T ≪ 90 K, a new probe system using cold helium gas for both sample-cooling and -spinning was developed. The novel system can sustain a low sample temperature between 30 and 90 K for a period of time >10 h under MAS at νR ≈ 3 kHz with liquid He consumption of ≈6 L/h. As a microwave source, we employed a high-power, continuously frequency-tunable gyrotron. At T ≈ 34 K, 1H DNP enhancement factors of 47 and 23 were observed with and without MAS, respectively. On the basis of these observations, a discussion on the total NMR sensitivity that takes into account the effect of sample temperature and external field strength used in DNP experiments is presented. It was determined that the use of low sample temperature and high external field is generally rewarding for the total sensitivity, in spite of the slower polarization buildup at lower temperature and lower DNP efficiency at higher field. These findings highlight the potential of the current continuous-wave DNP technique also at very high field conditions suitable to analyze large and complex systems, such as biological macromolecules.

  19. Dynamic Nuclear Polarization of 1H, 13C, and 59Co in a Tris(ethylenediamine)cobalt(III) Crystalline Lattice Doped with Cr(III)

    PubMed Central

    2015-01-01

    The study of inorganic crystalline materials by solid-state NMR spectroscopy is often complicated by the low sensitivity of heavy nuclei. However, these materials often contain or can be prepared with paramagnetic dopants without significantly affecting the structure of the crystalline host. Dynamic nuclear polarization (DNP) is generally capable of enhancing NMR signals by transferring the magnetization of unpaired electrons to the nuclei. Therefore, the NMR sensitivity in these paramagnetically doped crystals might be increased by DNP. In this paper we demonstrate the possibility of efficient DNP transfer in polycrystalline samples of [Co(en)3Cl3]2·NaCl·6H2O (en = ethylenediamine, C2H8N2) doped with Cr(III) in varying concentrations between 0.1 and 3 mol %. We demonstrate that 1H, 13C, and 59Co can be polarized by irradiation of Cr(III) with 140 GHz microwaves at a magnetic field of 5 T. We further explain our findings on the basis of electron paramagnetic resonance spectroscopy of the Cr(III) site and analysis of its temperature-dependent zero-field splitting, as well as the dependence of the DNP enhancement factor on the external magnetic field and microwave power. This first demonstration of DNP transfer from one paramagnetic metal ion to its diamagnetic host metal ion will pave the way for future applications of DNP in paramagnetically doped materials or metalloproteins. PMID:25069794

  20. Mesoporous Silica Nanoparticles Loaded with Surfactant: Low Temperature Magic Angle Spinning 13C and 29Si NMR Enhanced by Dynamic Nuclear Polarization

    SciTech Connect

    Lafon, Olivier; Thankamony, Aany S. Lilly; Kokayashi, Takeshi; Carnevale, Diego; Vitzthum, Veronika; Slowing, Igor I.; Kandel, Kapil; Vezin, Herve; Amoureux, Jean-Paul; Bodenhausen, Geoffrey; Pruski, Marek

    2012-12-21

    We show that dynamic nuclear polarization (DNP) can be used to enhance NMR signals of 13C and 29Si nuclei located in mesoporous organic/inorganic hybrid materials, at several hundreds of nanometers from stable radicals (TOTAPOL) trapped in the surrounding frozen disordered water. The approach is demonstrated using mesoporous silica nanoparticles (MSN), functionalized with 3-(N-phenylureido)propyl (PUP) groups, filled with the surfactant cetyltrimethylammonium bromide (CTAB). The DNP-enhanced proton magnetization is transported into the mesopores via 1H–1H spin diffusion and transferred to rare spins by cross-polarization, yielding signal enhancements εon/off of around 8. When the CTAB molecules are extracted, so that the radicals can enter the mesopores, the enhancements increase to εon/off ≈ 30 for both nuclei. A quantitative analysis of the signal enhancements in MSN with and without surfactant is based on a one-dimensional proton spin diffusion model. The effect of solvent deuteration is also investigated.

  1. Physical processes in spin polarized plasmas

    SciTech Connect

    Kulsrud, R.M.; Valeo, E.J.; Cowley, S.

    1984-05-01

    If the plasma in a nuclear fusion reactor is polarized, the nuclear reactions are modified in such a way as to enhance the reactor performance. We calculate in detail the modification of these nuclear reactions by different modes of polarization of the nuclear fuel. We also consider in detail the various physical processes that can lead to depolarization and show that they are by and large slow enough that a high degree of polarization can be maintained.

  2. Recent results of the laser ion source facility at INFN-LNS and applications to nuclear and applied research

    SciTech Connect

    Gammino, S.; Celona, L.; Torrisi, L.; Giuffrida, L.; Cavallaro, S.; Miracoli, R.; Margarone, D.; Mascali, D.

    2010-02-15

    A pulsed neodymium-doped yttrium aluminum garnet laser ion source has been used as proton beams generator. The laser wavelength is 1064 nm, the pulse duration is 9 ns and the intensity reaches 10{sup 10} W/cm{sup 2}. Laser irradiates hydrogenated polymers targets located in a chamber at 10{sup -7} mbar. The ions are post-accelerated in a suitable chamber by 30 kV of voltage between the target, positively biased, and the following ground electrode. The extracted beams is characterized through a time-of-flight technique. Possible applications to the field of nuclear physics, such as nuclear excitation and de-excitations, nuclear reactions and nuclear fusion, will be presented and discussed.

  3. Present status of polarized solid targets

    SciTech Connect

    Meyer, W.

    1995-09-01

    The current situation of the polarized solid targets for their use in particle beams is briefly reviewed. This includes some general remarks on the latest polarized target experiments, a brief description of the dynamic nuclear polarization (DNP) principle and a review of the recent developments in the field of polarized target materials and techniques. {copyright} {ital 1995 American Institute of Physics.}

  4. Membrane topologies of the PGLa antimicrobial peptide and a transmembrane anchor sequence by Dynamic Nuclear Polarization/solid-state NMR spectroscopy

    PubMed Central

    Salnikov, Evgeniy Sergeevich; Aisenbrey, Christopher; Aussenac, Fabien; Ouari, Olivier; Sarrouj, Hiba; Reiter, Christian; Tordo, Paul; Engelke, Frank; Bechinger, Burkhard

    2016-01-01

    Dynamic Nuclear Polarization (DNP) has been introduced to overcome the sensitivity limitations of nuclear magnetic resonance (NMR) spectroscopy also of supported lipid bilayers. When investigated by solid-state NMR techniques the approach typically involves doping the samples with biradicals and their investigation at cryo-temperatures. Here we investigated the effects of temperature and membrane hydration on the topology of amphipathic and hydrophobic membrane polypeptides. Although the antimicrobial PGLa peptide in dimyristoyl phospholipids is particularly sensitive to topological alterations, the DNP conditions represent well its membrane alignment also found in bacterial lipids at ambient temperature. With a novel membrane-anchored biradical and purpose-built hardware a 17-fold enhancement in NMR signal intensity is obtained by DNP which is one of the best obtained for a truly static matrix-free system. Furthermore, a membrane anchor sequence encompassing 19 hydrophobic amino acid residues was investigated. Although at cryotemperatures the transmembrane domain adjusts it membrane tilt angle by about 10 degrees, the temperature dependence of two-dimensional separated field spectra show that freezing the motions can have beneficial effects for the structural analysis of this sequence. PMID:26876950

  5. Membrane topologies of the PGLa antimicrobial peptide and a transmembrane anchor sequence by Dynamic Nuclear Polarization/solid-state NMR spectroscopy.

    PubMed

    Salnikov, Evgeniy Sergeevich; Aisenbrey, Christopher; Aussenac, Fabien; Ouari, Olivier; Sarrouj, Hiba; Reiter, Christian; Tordo, Paul; Engelke, Frank; Bechinger, Burkhard

    2016-01-01

    Dynamic Nuclear Polarization (DNP) has been introduced to overcome the sensitivity limitations of nuclear magnetic resonance (NMR) spectroscopy also of supported lipid bilayers. When investigated by solid-state NMR techniques the approach typically involves doping the samples with biradicals and their investigation at cryo-temperatures. Here we investigated the effects of temperature and membrane hydration on the topology of amphipathic and hydrophobic membrane polypeptides. Although the antimicrobial PGLa peptide in dimyristoyl phospholipids is particularly sensitive to topological alterations, the DNP conditions represent well its membrane alignment also found in bacterial lipids at ambient temperature. With a novel membrane-anchored biradical and purpose-built hardware a 17-fold enhancement in NMR signal intensity is obtained by DNP which is one of the best obtained for a truly static matrix-free system. Furthermore, a membrane anchor sequence encompassing 19 hydrophobic amino acid residues was investigated. Although at cryotemperatures the transmembrane domain adjusts it membrane tilt angle by about 10 degrees, the temperature dependence of two-dimensional separated field spectra show that freezing the motions can have beneficial effects for the structural analysis of this sequence. PMID:26876950

  6. Synthetic and mechanistic studies of metal-free transfer hydrogenations applying polarized olefins as hydrogen acceptors and amine borane adducts as hydrogen donors.

    PubMed

    Yang, Xianghua; Fox, Thomas; Berke, Heinz

    2012-01-28

    Metal-free transfer hydrogenation of polarized olefins (RR'C=CEE': R, R' = H or organyl, E, E' = CN or CO(2)Me) using amine borane adducts RR'NH-BH(3) (R = R' = H, AB; R = Me, R' = H, MAB; R = (t)Bu, R' = H, tBAB; R = R' = Me, DMAB) as hydrogen donors, were studied by means of in situ NMR spectroscopy. Deuterium kinetic isotope effects and the traced hydroboration intermediate revealed that the double H transfer process occurred regio-specifically in two steps with hydride before proton transfer characteristics. Studies on substituent effects and Hammett correlation indicated that the rate determining step of the H(N) transfer is in agreement with a concerted transition state. The very reactive intermediate [NH(2)=BH(2)] generated from AB was trapped by addition of cyclohexene into the reaction mixture forming Cy(2)BNH(2). The final product borazine (BHNH)(3) is assumed to be formed by dehydrocoupling of [NH(2)=BH(2)] or its solvent stabilized derivative [NH(2)=BH(2)]-(solvent), rather than by dehydrogenation of cyclotriborazane (BH(2)NH(2))(3) which is the trimerization product of [NH(2)=BH(2)]. PMID:22124505

  7. Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit. III. Theory for the multilevel atom

    NASA Astrophysics Data System (ADS)

    Bommier, Véronique

    2016-06-01

    Context. We discuss the case of lines formed by scattering, which comprises both coherent and incoherent scattering. Both processes contribute to form the line profiles in the so-called second solar spectrum, which is the spectrum of the linear polarization of such lines observed close to the solar limb. However, most of the lines cannot be simply modeled with a two-level or two-term atom model, and we present a generalized formalism for this purpose. Aims: The aim is to obtain a formalism that is able to describe scattering in line centers (resonant scattering or incoherent scattering) and in far wings (Rayleigh/Raman scattering or coherent scattering) for a multilevel and multiline atom. Methods: The method is designed to overcome the Markov approximation, which is often performed in the atom-photon interaction description. The method was already presented in the two first papers of this series, but the final equations of those papers were for a two-level atom. Results: We present here the final equations generalized for the multilevel and multiline atom. We describe the main steps of the theoretical development, and, in particular, how we performed the series development to overcome the Markov approximation. Conclusions: The statistical equilibrium equations for the atomic density matrix and the radiative transfer equation coefficients are obtained with line profiles. The Doppler redistribution is also taken into account because we show that the statistical equilibrium equations must be solved for each atomic velocity class.

  8. Polarization transfer NMR imaging

    DOEpatents

    Sillerud, Laurel O.; van Hulsteyn, David B.

    1990-01-01

    A nuclear magnetic resonance (NMR) image is obtained with spatial information modulated by chemical information. The modulation is obtained through polarization transfer from a first element representing the desired chemical, or functional, information, which is covalently bonded and spin-spin coupled with a second element effective to provide the imaging data. First and second rf pulses are provided at first and second frequencies for exciting the imaging and functional elements, with imaging gradients applied therebetween to spatially separate the nuclei response for imaging. The second rf pulse is applied at a time after the first pulse which is the inverse of the spin coupling constant to select the transfer element nuclei which are spin coupled to the functional element nuclei for imaging. In a particular application, compounds such as glucose, lactate, or lactose, can be labeled with .sup.13 C and metabolic processes involving the compounds can be imaged with the sensitivity of .sup.1 H and the selectivity of .sup.13 C.

  9. Polar Markings

    NASA Technical Reports Server (NTRS)

    2006-01-01

    [figure removed for brevity, see original site] Context image for PIA02155 Polar Markings

    These bright and dark markings occurred near the end of summer in the south polar region. The dark material is likely dust that has been freed of frost cover.

    Image information: VIS instrument. Latitude -76.3N, Longitude 84.9E. 17 meter/pixel resolution.

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

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

  10. Polar Layers

    NASA Technical Reports Server (NTRS)

    2006-01-01

    [figure removed for brevity, see original site] Context image for PIA02153 Polar Layers

    This image of the south polar region shows layered material. It is not known if the layers are formed yearly or if they form over the period of 10s to 100s of years or more.

    Image information: VIS instrument. Latitude -80.3N, Longitude 296.2E. 17 meter/pixel resolution.

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

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

  11. Polar Ridges

    NASA Technical Reports Server (NTRS)

    2006-01-01

    [figure removed for brevity, see original site] Context image for PIA03662 Polar Ridges

    This ridge system is located in the south polar region.

    Image information: VIS instrument. Latitude -81.7N, Longitude 296.5E. 17 meter/pixel resolution.

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

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

  12. Polar Textures

    NASA Technical Reports Server (NTRS)

    2005-01-01

    [figure removed for brevity, see original site] Context image for PIA03638 Polar Textures

    This image illustrates the variety of textures that appear in the south polar region during late summer.

    Image information: VIS instrument. Latitude 80.5S, Longitude 57.9E. 17 meter/pixel resolution.

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

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

  13. Polar Terrains

    NASA Technical Reports Server (NTRS)

    2005-01-01

    [figure removed for brevity, see original site] Context image for PIA03577 Polar Terrains

    The region surrounding the South Polar Cap contains many different terrain types. This image shows both etched terrain and a region of 'mounds'.

    Image information: VIS instrument. Latitude 75S, Longitude 286.5E. 17 meter/pixel resolution.

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

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

  14. Dual Functions for the Schizosaccharomyces pombe Inositol Kinase Ipk1 in Nuclear mRNA Export and Polarized Cell Growth▿ †

    PubMed Central

    Sarmah, Bhaskarjyoti; Wente, Susan R.

    2009-01-01

    The inositol 1,3,4,5,6-pentakisphosphate (IP5) 2-kinase (Ipk1) catalyzes the production of inositol hexakisphosphate (IP6) in eukaryotic cells. Previous studies have shown that IP6 is required for efficient nuclear mRNA export in the budding yeast Saccharomyces cerevisiae. Here, we report the first functional analysis of ipk1+ in Schizosaccharomyces pombe. S. pombe Ipk1 (SpIpk1) is unique among Ipk1 orthologues in that it harbors a novel amino (N)-terminal domain with coiled-coil structural motifs similar to those of BAR (Bin-amphiphysin-Rvs) domain proteins. Mutants with ipk1+ deleted (ipk1Δ) had mRNA export defects as well as pleiotropic defects in polarized growth, cell morphology, endocytosis, and cell separation. The SpIpk1 catalytic carboxy-terminal domain was required to rescue these defects, and the mRNA export block was genetically linked to SpDbp5 function and, likely, IP6 production. However, the overexpression of the N-terminal domain alone also inhibited these functions in wild-type cells. This revealed a distinct noncatalytic function for the N-terminal domain. To test for connections with other inositol polyphosphates, we also analyzed whether the loss of asp1+ function, encoding an IP6 kinase downstream of Ipk1, had an effect on ipk1Δ cells. The asp1Δ mutant alone did not block mRNA export, and its cell morphology, polarized growth, and endocytosis defects were less severe than those of ipk1Δ cells. Moreover, ipk1Δ asp1Δ double mutants had altered inositol polyphosphate levels distinct from those of the ipk1Δ mutant. This suggested novel roles for asp1+ upstream of ipk1+. We propose that IP6 production is a key signaling linchpin for regulating multiple essential cellular processes. PMID:19047361

  15. Detecting a new source for photochemically induced dynamic nuclear polarization in the LOV2 domain of phototropin by magnetic-field dependent (13)C NMR spectroscopy.

    PubMed

    Kothe, Gerd; Lukaschek, Michail; Link, Gerhard; Kacprzak, Sylwia; Illarionov, Boris; Fischer, Markus; Eisenreich, Wolfgang; Bacher, Adelbert; Weber, Stefan

    2014-10-01

    Phototropin is a flavin mononucleotide (FMN) containing blue-light receptor, which regulates, governed by its two LOV domains, the phototropic response of higher plants. Upon photoexcitation, the FMN cofactor triplet state, (3)F, reacts with a nearby cysteine to form a covalent adduct. Cysteine-to-alanine mutants of LOV domains instead generate a flavin radical upon illumination. Here, we explore the formation of photochemically induced dynamic nuclear polarization (CIDNP) in LOV2-C450A of Avena sativa phototropin and demonstrate that photo-CIDNP observed in solution (13)C NMR spectra can reliably be interpreted in terms of solid-state mechanisms including a novel triplet mechanism. To minimize cross-polarization, which transfers light-induced magnetization to adjacent (13)C nuclei, our experiments were performed on proteins reconstituted with specifically (13)C-labeled flavins. Two potential sources for photo-CIDNP can be identified: The photogenerated triplet state, (3)F, and the triplet radical pair (3)(F(-•)W(+•)), formed by electron abstraction of (3)F from tryptophan W491. To separate the two contributions, photo-CIDNP studies were performed at four different magnetic fields ranging from 4.7 to 11.8 T. Analysis revealed that, at fields <9 T, both (3)(F(-•)W(+•)) and (3)F contribute to photo-CIDNP, whereas at high magnetic fields, the calculated enhancement factors of (3)F agree favorably with their experimental counterparts. Thus, we have for the first time detected that a triplet state is the major source for photo-CIDNP in a photoactive protein. Since triplet states are frequently encountered upon photoexcitation of flavoproteins, the novel triplet mechanism opens up new means of studying electronic structures of the active cofactors in these proteins at atomic resolution. PMID:25207844

  16. Development of the quantum theory of T-odd asymmetries for prescission and evaporated third particles in ternary nuclear fission induced by cold polarized neutrons

    SciTech Connect

    Kadmensky, S. G.; Bunakov, V. E.; Titova, L. V.; Kadmensky, S. S.

    2011-10-15

    A comparative analysis of the results obtained by experimentally and theoretically studying T-odd asymmetries for various third particles in the true and delayed ternary nuclear fission induced by cold polarized neutrons was performed. It was confirmed that the appearance of these asymmetries was associated with the effect of rotation of a polarized system undergoing fission on the angular distributions of prescission and evaporated third particles with respect to the direction along which the emerging fission fragments flew apart, this effect being determined by the Coriolis interaction of the rotational and the internalmotion of the fissioning system. A quantum-mechanical description of particle motion in a rotating coordinate system was generalized to the case where gamma-ray emission was present. It was shown that the separation of the motions of an axially symmetric fissile system into a rotational and an internal motion was valid in the external region as well, where ternary-fission products had already been formed, if it was considered that the motion of fission fragments was tightly connected with the system symmetry axis, which rotated in the laboratory frame. It was found that the dependence of the fissile-system moment of inertia appearing in the Coriolis interaction Hamiltonian on the distance between the fission fragments flying apart generated an additional phase in the amplitude of the radial distribution of fission fragments. It was shown that this phase might change sizably the contribution of the interference between fission amplitudes of neutron resonances excited in a fissile compound nucleus to the absolute values of T -odd asymmetries, especially for third particles such as neutrons and photons, which interacted only slightly with fission fragments.

  17. Towards Polarized Antiprotons at FAIR

    SciTech Connect

    Rathmann, Frank

    2007-06-13

    Understanding the interplay of the nuclear interaction with polarized protons and the electromagnetic interaction with polarized electrons in polarized atoms is crucial to progress towards the PAX goal to eventually produce stored polarized antiproton beams at FAIR. Presently, there exist two competing theoretical scenarios: one with substantial spin filtering of (anti)protons by atomic electrons, and a second one suggesting a self-cancellation of the electron contribution to spin filtering. After a brief review of the PAX physics case for polarized antiprotons at FAIR, a detailed discussion of future investigations, including spin-filtering experiments at COSY-Juelich and at the AD of CERN is presented.

  18. Applying Human-performance Models to Designing and Evaluating Nuclear Power Plants: Review Guidance and Technical Basis

    SciTech Connect

    O'Hara, J.M.

    2009-11-30

    Human performance models (HPMs) are simulations of human behavior with which we can predict human performance. Designers use them to support their human factors engineering (HFE) programs for a wide range of complex systems, including commercial nuclear power plants. Applicants to U.S. Nuclear Regulatory Commission (NRC) can use HPMs for design certifications, operating licenses, and license amendments. In the context of nuclear-plant safety, it is important to assure that HPMs are verified and validated, and their usage is consistent with their intended purpose. Using HPMs improperly may generate misleading or incorrect information, entailing safety concerns. The objective of this research was to develop guidance to support the NRC staff's reviews of an applicant's use of HPMs in an HFE program. The guidance is divided into three topical areas: (1) HPM Verification, (2) HPM Validation, and (3) User Interface Verification. Following this guidance will help ensure the benefits of HPMs are achieved in a technically sound, defensible manner. During the course of developing this guidance, I identified several issues that could not be addressed; they also are discussed.

  19. High-resolution Inductively Coupled Plasma--Atomic Emission Spectroscopy applied to problems in Nuclear Waste Management

    SciTech Connect

    Edelson, M.C.; Winge, R.K.; Eckels, D.E. ); Douglas, J.G. )

    1990-01-01

    High-resolution Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) is a variant of the more conventional ICP-AES that is widely used for environmental monitoring. The relevance of high-resolution capabilities of three such analytical problems are discussed herein. (1) Pu in very complex, radioactive matrices can be determined with good accuracy without the need for prior chemical separations. Isotopically resolved spectra from actinides in fuel dissolver solutions can be obtained after a simple ion-exchange step. (2) High-resolution methods permit the simultaneous determination of fission products and actinides in simulated high-level nuclear waste solutions. Such measurements can be useful for both safeguards and waste processing. (3) The ICP-AES technique, with a photodiode array detector, can be used to determine the composition of nuclear waste glasses. Such measurements can assist the glass producer as well as providing predictors of nuclear waste form performance in a repository. 16 refs., 5 figs., 4 tabs.

  20. A simple and accurate protocol for absolute polar metabolite quantification in cell cultures using quantitative nuclear magnetic resonance.

    PubMed

    Goldoni, Luca; Beringhelli, Tiziana; Rocchia, Walter; Realini, Natalia; Piomelli, Daniele

    2016-05-15

    Absolute analyte quantification by nuclear magnetic resonance (NMR) spectroscopy is rarely pursued in metabolomics, even though this would allow researchers to compare results obtained using different techniques. Here we report on a new protocol that permits, after pH-controlled serum protein removal, the sensitive quantification (limit of detection [LOD] = 5-25 μM) of hydrophilic nutrients and metabolites in the extracellular medium of cells in cultures. The method does not require the use of databases and uses PULCON (pulse length-based concentration determination) quantitative NMR to obtain results that are significantly more accurate and reproducible than those obtained by CPMG (Carr-Purcell-Meiboom-Gill) sequence or post-processing filtering approaches. Three practical applications of the method highlight its flexibility under different cell culture conditions. We identified and quantified (i) metabolic differences between genetically engineered human cell lines, (ii) alterations in cellular metabolism induced by differentiation of mouse myoblasts into myotubes, and (iii) metabolic changes caused by activation of neurotransmitter receptors in mouse myoblasts. Thus, the new protocol offers an easily implementable, efficient, and versatile tool for the investigation of cellular metabolism and signal transduction. PMID:26898303

  1. Numerical analysis of residual stresses in preforms of stress applying part for PANDA-type polarization maintaining optical fibers in view of technological imperfections of the doped zone geometry

    NASA Astrophysics Data System (ADS)

    Trufanov, Aleksandr N.; Trufanov, Nikolay A.; Semenov, Nikita V.

    2016-09-01

    The experimental data analysis of the stress applying rod section geometry for the PANDA-type polarization maintaining optical fiber has been performed. The dependencies of the change in the radial dimensions of the preform and the doping boundary on the angular coordinate have been obtained. The original algorithm of experimental data statistic analysis, which enables determination of the specimens' characteristic form of section, has been described. The influence of actual doped zone geometry on the residual stress fields formed during the stress rod preform fabrication has been investigated. It has been established that the deviation of the boundary between pure silica and the doped zone from the circular shape results in dissymmetry and local concentrations of the residual stress fields along the section, which can cause preforms destruction at high degrees of doping. The observed geometry deviations of up to 10% lead to the increase of the maximum stress intensity value by over 20%.

  2. Noninvasive mapping of the redox status of dimethylnitrosamine-induced hepatic fibrosis using in vivo dynamic nuclear polarization-magnetic resonance imaging.

    PubMed

    Kawano, Takahito; Murata, Masaharu; Hyodo, Fuminori; Eto, Hinako; Kosem, Nuttavut; Nakata, Ryosuke; Hamano, Nobuhito; Piao, Jing Shu; Narahara, Sayoko; Akahoshi, Tomohiko; Hashizume, Makoto

    2016-01-01

    Hepatic fibrosis is a chronic disorder caused by viral infection and/or metabolic, genetic and cholestatic disorders. A noninvasive procedure that enables the detection of liver fibrosis based on redox status would be useful for disease identification and monitoring, and the development of treatments. However, an appropriate technique has not been reported. This study describes a novel method for assessing the redox status of the liver using in vivo dynamic nuclear polarization-magnetic resonance imaging (DNP-MRI) with the nitroxyl radical carbamoyl-PROXYL as a molecular imaging probe, which was tested in dimethylnitrosamine-treated mice as a model of liver fibrosis. Based on the pharmacokinetics of carbamoyl-PROXYL in control livers, reduction rate mapping was performed in fibrotic livers. Reduction rate maps demonstrated a clear difference between the redox status of control and fibrotic livers according to the expression of antioxidants. These findings indicate that in vivo DNP-MRI with a nitroxyl radical probe enables noninvasive detection of changes in liver redox status. PMID:27587186

  3. Cross-polarization magic-angle spinning nuclear magnetic resonance study of platinum complexes containing the cis-P2PtC2 fragment.

    PubMed

    Challoner, R; Sebald, A

    1995-01-01

    31P and 195Pt cross-polarization magic-angle spinning nuclear magnetic resonance (CP-MAS NMR) spectra of three platinum complexes of formal oxidation state Pt(0) and Pt(II), respectively, are reported. All three complexes, (Ph3P)2Pt(C2H4) (1), (Et2P-CH2-CH2-PEt2)Pt(C identical to C-H)2 (2) and (Ph2P-CH2-CH2-PPh2)Pt(C identical to C-C(CH3)=CH2)2 (3) contain the square-planar cis-P2PtC2 fragment and show unusual NMR spectroscopic properties insofar that the 195Pt shielding patterns are fairly narrow in relation to what one would generally have to expect for 195Pt in square-planar coordination. Another unexpected NMR property of the cis-P2PtC2 fragment in 1-3 is the absence of spinning frequency-dependent second-order effects in this solid-state ABX spin system. PMID:7894980

  4. Application of Continuously Frequency-Tunable 0.4 THz Gyrotron to Dynamic Nuclear Polarization for 600 MHz Solid-State NMR

    NASA Astrophysics Data System (ADS)

    Matsuki, Yoh; Ueda, Keisuke; Idehara, Toshitaka; Ikeda, Ryosuke; Kosuga, Kosuke; Ogawa, Isamu; Nakamura, Shinji; Toda, Mitsuru; Anai, Takahiro; Fujiwara, Toshimichi

    2012-07-01

    In this paper we present results that demonstrate the utility of a continuously frequency-tunable 0.4 THz-gyrotron in a dynamic nuclear polarization (DNP)-enhanced solid-state NMR (SSNMR) spectroscopy at one of the highest magnetic fields, B 0 = 14.1 T (600 MHz for 1H Larmor frequency). Our gyrotron called FU CW VI generates sub-mm wave at a frequency near 0.4 THz with an output power of 4-25 W and a tunability over a range of more than 1 GHz by sweeping the magnetic field at the gyrotron cavity. We observed overall down shifting of the central frequency by up to ~1 GHz at high radiation duty factors and beam current, presumably due to the cavity thermal expansion by a heating, but the tunable range was not significantly changed. The frequency tunability facilitated the optimization of the DNP resonance condition without time-consuming field-sweep of the high-resolution NMR magnet, and enabled us to observe substantial enhancement of the SSNMR signal ( ɛ DNP = 12 at 90 K).

  5. Noninvasive mapping of the redox status of dimethylnitrosamine-induced hepatic fibrosis using in vivo dynamic nuclear polarization-magnetic resonance imaging

    PubMed Central

    Kawano, Takahito; Murata, Masaharu; Hyodo, Fuminori; Eto, Hinako; Kosem, Nuttavut; Nakata, Ryosuke; Hamano, Nobuhito; Piao, Jing Shu; Narahara, Sayoko; Akahoshi, Tomohiko; Hashizume, Makoto

    2016-01-01

    Hepatic fibrosis is a chronic disorder caused by viral infection and/or metabolic, genetic and cholestatic disorders. A noninvasive procedure that enables the detection of liver fibrosis based on redox status would be useful for disease identification and monitoring, and the development of treatments. However, an appropriate technique has not been reported. This study describes a novel method for assessing the redox status of the liver using in vivo dynamic nuclear polarization-magnetic resonance imaging (DNP-MRI) with the nitroxyl radical carbamoyl-PROXYL as a molecular imaging probe, which was tested in dimethylnitrosamine-treated mice as a model of liver fibrosis. Based on the pharmacokinetics of carbamoyl-PROXYL in control livers, reduction rate mapping was performed in fibrotic livers. Reduction rate maps demonstrated a clear difference between the redox status of control and fibrotic livers according to the expression of antioxidants. These findings indicate that in vivo DNP-MRI with a nitroxyl radical probe enables noninvasive detection of changes in liver redox status. PMID:27587186

  6. A nuclear ribosomal DNA pseudogene in triatomines opens a new research field of fundamental and applied implications in Chagas disease

    PubMed Central

    Zuriaga, María Angeles; Mas-Coma, Santiago; Bargues, María Dolores

    2015-01-01

    A pseudogene, designated as "ps(5.8S+ITS-2)", paralogous to the 5.8S gene and internal transcribed spacer (ITS)-2 of the nuclear ribosomal DNA (rDNA), has been recently found in many triatomine species distributed throughout North America, Central America and northern South America. Among characteristics used as criteria for pseudogene verification, secondary structures and free energy are highlighted, showing a lower fit between minimum free energy, partition function and centroid structures, although in given cases the fit only appeared to be slightly lower. The unique characteristics of "ps(5.8S+ITS-2)" as a processed or retrotransposed pseudogenic unit of the ghost type are reviewed, with emphasis on its potential functionality compared to the functionality of genes and spacers of the normal rDNA operon. Besides the technical problem of the risk for erroneous sequence results, the usefulness of "ps(5.8S+ITS-2)" for specimen classification, phylogenetic analyses and systematic/taxonomic studies should be highlighted, based on consistence and retention index values, which in pseudogenic sequence trees were higher than in functional sequence trees. Additionally, intraindividual, interpopulational and interspecific differences in pseudogene amount and the fact that it is a pseudogene in the nuclear rDNA suggests a potential relationships with fitness, behaviour and adaptability of triatomine vectors and consequently its potential utility in Chagas disease epidemiology and control. PMID:25760450

  7. The polarized EMC effect

    SciTech Connect

    W. Bentz; I. C. Cloet; A. W. Thomas

    2007-02-01

    We calculate both the spin independent and spin dependent nuclear structure functions in an effective quark theory. The nucleon is described as a composite quark-diquark state, and the nucleus is treated in the mean field approximation. We predict a sizable polarized EMC effect, which could be confirmed in future experiments.

  8. Nuclear resonance fluorescence and effective Z determination applied to detection and imaging of special nuclear material, explosives, toxic substances and contraband

    NASA Astrophysics Data System (ADS)

    Bertozzi, William; Korbly, Stephen E.; Ledoux, Robert J.; Park, William

    2007-08-01

    Nuclear resonance fluorescence (NRF) provides a signal that is unique and present for almost all nuclei with Z > 2. This uniqueness would enable, for example, the discrimination between 235U from 238U. Explosives can be detected by the characteristic signatures of carbon, nitrogen and oxygen and their respective densities in a common space. Effective Z algorithms (EZ-3D) have been developed for the examination of the non-resonant spectrum of back-scattered photons that yield a signal with very high contrast between materials of moderately different Z. Both the NRF and EZ-3D non-intrusive inspection techniques provide a three dimensional display of the contents of a container; respectively, the isotopic concentrations, and effective Z and mass. NRF combined with EZ-3D provides the possibility for rapid scanning of seagoing containers, trucks and other vehicles. They do so in short times with high detection probabilities for SNM, explosives and other contraband and with low false alarms.

  9. Influence of spin polarizability on liquid gas phase transition in the nuclear matter

    NASA Astrophysics Data System (ADS)

    Rezaei, Z.; Bigdeli, M.; Bordbar, G. H.

    2015-10-01

    In this paper, we investigate the liquid gas phase transition for the spin polarized nuclear matter. Applying the lowest order constrained variational (LOCV) method, and using two microscopic potentials, AV18 and UV14+TNI, we calculate the free energy, equation of state (EOS), order parameter, entropy, heat capacity and compressibility to derive the critical properties of spin polarized nuclear matter. Our results indicate that for the spin polarized nuclear matter, the second-order phase transition takes place at lower temperatures with respect to the unpolarized one. It is also shown that the critical temperature of our spin polarized nuclear matter with a specific value of spin polarization parameter is in good agreement with the experimental result.

  10. A new combined nuclear magnetic resonance and Raman spectroscopic probe applied to in situ investigations of catalysts and catalytic processes

    SciTech Connect

    Camp, Jules C. J.; Mantle, Michael D.; York, Andrew P. E.; McGregor, James

    2014-06-15

    Both Raman and nuclear magnetic resonance (NMR) spectroscopies are valuable analytical techniques capable of providing mechanistic information and thereby providing insights into chemical processes, including catalytic reactions. Since both techniques are chemically sensitive, they yield not only structural information but also quantitative analysis. In this work, for the first time, the combination of the two techniques in a single experimental apparatus is reported. This entailed the design of a new experimental probe capable of recording simultaneous measurements on the same sample and/or system of interest. The individual datasets acquired by each spectroscopic method are compared to their unmodified, stand-alone equivalents on a single sample as a means to benchmark this novel piece of equipment. The application towards monitoring reaction progress is demonstrated through the evolution of the homogeneous catalysed metathesis of 1‑hexene, with both experimental techniques able to detect reactant consumption and product evolution. This is extended by inclusion of magic angle spinning (MAS) NMR capabilities with a custom made MAS 7 mm rotor capable of spinning speeds up to 1600 Hz, quantified by analysis of the spinning sidebands of a sample of KBr. The value of this is demonstrated through an application involving heterogeneous catalysis, namely the metathesis of 2-pentene and ethene. This provides the added benefit of being able to monitor both the reaction progress (by NMR spectroscopy) and also the structure of the catalyst (by Raman spectroscopy) on the very same sample, facilitating the development of structure-performance relationships.

  11. A parallel multi-domain solution methodology applied to nonlinear thermal transport problems in nuclear fuel pins

    SciTech Connect

    Philip, Bobby; Berrill, Mark A.; Allu, Srikanth; Hamilton, Steven P.; Sampath, Rahul S.; Clarno, Kevin T.; Dilts, Gary A.

    2015-01-26

    We describe an efficient and nonlinearly consistent parallel solution methodology for solving coupled nonlinear thermal transport problems that occur in nuclear reactor applications over hundreds of individual 3D physical subdomains. Efficiency is obtained by leveraging knowledge of the physical domains, the physics on individual domains, and the couplings between them for preconditioning within a Jacobian Free Newton Krylov method. Details of the computational infrastructure that enabled this work, namely the open source Advanced Multi-Physics (AMP) package developed by the authors are described. The details of verification and validation experiments, and parallel performance analysis in weak and strong scaling studies demonstrating the achieved efficiency of the algorithm are presented. Moreover, numerical experiments demonstrate that the preconditioner developed is independent of the number of fuel subdomains in a fuel rod, which is particularly important when simulating different types of fuel rods. Finally, we demonstrate the power of the coupling methodology by considering problems with couplings between surface and volume physics and coupling of nonlinear thermal transport in fuel rods to an external radiation transport code.

  12. A parallel multi-domain solution methodology applied to nonlinear thermal transport problems in nuclear fuel pins

    DOE PAGESBeta

    Philip, Bobby; Berrill, Mark A.; Allu, Srikanth; Hamilton, Steven P.; Sampath, Rahul S.; Clarno, Kevin T.; Dilts, Gary A.

    2015-01-26

    We describe an efficient and nonlinearly consistent parallel solution methodology for solving coupled nonlinear thermal transport problems that occur in nuclear reactor applications over hundreds of individual 3D physical subdomains. Efficiency is obtained by leveraging knowledge of the physical domains, the physics on individual domains, and the couplings between them for preconditioning within a Jacobian Free Newton Krylov method. Details of the computational infrastructure that enabled this work, namely the open source Advanced Multi-Physics (AMP) package developed by the authors are described. The details of verification and validation experiments, and parallel performance analysis in weak and strong scaling studies demonstratingmore » the achieved efficiency of the algorithm are presented. Moreover, numerical experiments demonstrate that the preconditioner developed is independent of the number of fuel subdomains in a fuel rod, which is particularly important when simulating different types of fuel rods. Finally, we demonstrate the power of the coupling methodology by considering problems with couplings between surface and volume physics and coupling of nonlinear thermal transport in fuel rods to an external radiation transport code.« less

  13. Characterization of high-tannin fractions from humus by carbon-13 cross-polarization and magic-angle spinning nuclear magnetic resonance.

    PubMed

    Lorenz, Klaus; Preston, Caroline M

    2002-01-01

    Condensed tannins can be found in various parts of many plants. Unlike lignin there has been little study of their fate as they enter the soil organic matter pool and their influence on nutrient cycling, especially through their protein-binding properties. We extracted and characterized tannin-rich fractions from humus collected in 1998 from a black spruce [Picea mariana (Mill.) Britton et al.] forest in Canada where a previous study (1995) showed high levels (3.8% by weight) of condensed tannins. A reference tannin purified from black spruce needles was characterized by solution 13C nuclear magnetic resonance (NMR) as a pure procyanidin with mainly cis stereochemistry and an average chain length of four to five units. The colorimetric proanthocyanidin (PA) assay, standardized against the black spruce tannin, showed that both extracted humus fractions had higher tannin contents than the original humus (2.84% and 11.17% vs. 0.08%), and accounted for 32% of humus tannin content. Consistent with the results from the chemical assay, the aqueous fraction showed higher tannin signals in the 13C cross-polarization and magic-angle spinning (CPMAS) NMR spectrum than the emulsified one. As both tannin-rich humus fractions were depleted in N and high in structures derived from lignin and cutin, they did not have properties consistent with recaldtrant tannin-protein complexes proposed as a mechanism for N sequestration in humus. Further studies are needed to establish if tannin-protein structures in humus can be detected or isolated, or if tannins contribute to forest management problems observed in these ecosystems by binding to and slowing down the activity of soil enzymes. PMID:11931430

  14. Carbon-13 cross-polarization magic-angle-spinning nuclear magnetic resonance investigation of the interactions between maleic anhydride grafted polypropylene and wood polymers.

    PubMed

    Rude, Erica; Laborie, Marie-Pierre G

    2008-05-01

    The chemical interactions between maleic anhydride grafted polypropylene (MAPP) and wood were studied with solid-state carbon-13 cross-polarization magic-angle-spinning nuclear magnetic resonance ((13)C CPMAS NMR) spectroscopy. MAPP was synthesized with 100% (13)C enrichment at the C(1) and C(4) carbons to allow detection of the [1,4-(13)C(2)]MAPP functional groups and was melt blended with cellulose, lignin, and maple wood. In the cellulose/MAPP blend, changes in (13)C CPMAS NMR corrected signal intensities for the anhydride and dicarboxylic maleic acid functionalities suggested that esterification may have occurred predominantly from the more numerous diacid carbons. A single proton longitudinal relaxation in the rotating frame, (H)T(1rho), for the MAPP and the cellulose carbons in the blend suggested that they were spin coupled, i.e., homogeneous on a 10-200 Angstrom scale. Esterification was also suggested in the lignin/MAPP blend. Furthermore, the more significant changes in the intensities of the carbonyl signals and (H)T(1rho) values suggested that lignin may be more reactive to MAPP than cellulose. Finally, when maple was melt blended with MAPP, the same trends in the (13)C CP-MAS NMR spectra and (H)T(1rho) behavior were observed as when MAPP was blended with cellulose or lignin. This study therefore clarifies that during melt compounding of wood with MAPP, esterification occurs with wood polymers, preferentially with lignin. Understanding the interactions of MAPP with wood is of significance for the development of natural-fiber-reinforced thermoplastic composites. PMID:18498698

  15. Relativistic effects on the nuclear magnetic shieldings of rare-gas atoms and halogen in hydrogen halides within relativistic polarization propagator theory

    NASA Astrophysics Data System (ADS)

    Gomez, Sergio S.; Maldonado, Alejandro; Aucar, Gustavo A.

    2005-12-01

    In this work an analysis of the electronic origin of relativistic effects on the isotropic dia- and paramagnetic contributions to the nuclear magnetic shielding σ(X ) for noble gases and heavy atoms of hydrogen halides is presented. All results were obtained within the 4-component polarization propagator formalism at different level of approach [random-phase approximation (RPA) and pure zeroth-order approximation (PZOA)], by using a local version of the DIRAC code. From the fact that calculations of diamagnetic contributions to σ within RPA and PZOA approaches for HX(X =Br,I,At) and rare-gas atoms are quite close each to other and the finding that the diamagnetic part of the principal propagator at the PZOA level can be developed as a series [S(Δ)], it was found that there is a branch of negative-energy "virtual" excitations that contribute with more than 98% of the total diamagnetic value even for the heavier elements, namely, Xe, Rn, I, and At. It contains virtual negative-energy molecular-orbital states with energies between -2mc2 and -4mc2. This fact can explain the excellent performance of the linear response elimination of small component (LR-ESC) scheme for elements up to the fifth row in the Periodic Table. An analysis of the convergency of S(Δ ) and its physical implications is given. It is also shown that the total contribution to relativistic effects of the innermost orbital (1s1/2) is by far the largest. For the paramagnetic contributions results at the RPA and PZOA approximations are similar only for rare-gas atoms. On the other hand, if the mass-correction contributions to σp are expressed in terms of atomic orbitals, a different pattern is found for 1s1/2 orbital contributions compared with all other s-type orbitals when the whole set of rare-gas atoms is considered.

  16. Selective Imaging of Malignant Ascites in a Mouse Model of Peritoneal Metastasis Using in Vivo Dynamic Nuclear Polarization-Magnetic Resonance Imaging.

    PubMed

    Eto, Hinako; Hyodo, Fuminori; Nakano, Kenji; Utsumi, Hideo

    2016-02-16

    The presence of malignant ascites in advanced cancer patients is associated with both a poor prognosis and quality of life with a risk of abdominal infection and sepsis. Contemporary noninvasive visualization methods such as ultrasound, computed tomography, and magnetic resonance imaging (MRI) often struggle to differentiate malignant ascites from surrounding tissues. This study aimed to determine the utility of selective H2O imaging in the abdominal cavity with a free radical probe and deuterium oxide (D2O) contrast agent using in vivo dynamic nuclear polarization-MRI (DNP-MRI). Phantom imaging experiments established a linear relationship between H2O volume and image intensity using in vivo DNP-MRI. Similar results were obtained when the radical-D2O probe was used to determine selective and spatial information on H2O in vivo, modeled by the injection of saline into the abdominal cavity of mice. To demonstrate the utility of this method for disease, malignant ascites in peritoneal metastasis animal model was selected as one of the typical examples. In vivo DNP-MRI of peritoneal metastasis animal model was performed 7-21 days after intraperitoneal injection of luciferase, stably expressing the human pancreatic carcinoma (SUIT-2). The image intensity with increasing malignant ascites was significantly increased at days 7, 16, and 21. This increase corresponded to in vivo tumor progression, as measured by bioluminescent imaging. These results suggest that H2O signal enhancement in DNP-MRI using radical-D2O contrast is positively associated with the progression of dissemination and could be a useful biomarker for malignant ascites with cancer metastasis. PMID:26796949

  17. Polarization developments

    SciTech Connect

    Prescott, C.Y.

    1993-07-01

    Recent developments in laser-driven photoemission sources of polarized electrons have made prospects for highly polarized electron beams in a future linear collider very promising. This talk discusses the experiences with the SLC polarized electron source, the recent progress with research into gallium arsenide and strained gallium arsenide as a photocathode material, and the suitability of these cathode materials for a future linear collider based on the parameters of the several linear collider designs that exist.

  18. Neuronal polarization.

    PubMed

    Takano, Tetsuya; Xu, Chundi; Funahashi, Yasuhiro; Namba, Takashi; Kaibuchi, Kozo

    2015-06-15

    Neurons are highly polarized cells with structurally and functionally distinct processes called axons and dendrites. This polarization underlies the directional flow of information in the central nervous system, so the establishment and maintenance of neuronal polarization is crucial for correct development and function. Great progress in our understanding of how neurons establish their polarity has been made through the use of cultured hippocampal neurons, while recent technological advances have enabled in vivo analysis of axon specification and elongation. This short review and accompanying poster highlight recent advances in this fascinating field, with an emphasis on the signaling mechanisms underlying axon and dendrite specification in vitro and in vivo. PMID:26081570

  19. Polarization Aberrations

    NASA Technical Reports Server (NTRS)

    Mcguire, James P., Jr.; Chipman, Russell A.

    1990-01-01

    The analysis of the polarization characteristics displayed by optical systems can be divided into two categories: geometrical and physical. Geometrical analysis calculates the change in polarization of a wavefront between pupils in an optical instrument. Physical analysis propagates the polarized fields wherever the geometrical analysis is not valid, i.e., near the edges of stops, near images, in anisotropic media, etc. Polarization aberration theory provides a starting point for geometrical design and facilitates subsequent optimization. The polarization aberrations described arise from differences in the transmitted (or reflected) amplitudes and phases at interfaces. The polarization aberration matrix (PAM) is calculated for isotropic rotationally symmetric systems through fourth order and includes the interface phase, amplitude, linear diattenuation, and linear retardance aberrations. The exponential form of Jones matrices used are discussed. The PAM in Jones matrix is introduced. The exact calculation of polarization aberrations through polarization ray tracing is described. The report is divided into three sections: I. Rotationally Symmetric Optical Systems; II. Tilted and Decentered Optical Systems; and Polarization Analysis of LIDARs.

  20. Strong pulsed excitations using circularly polarized fields for ultra-low field NMR

    NASA Astrophysics Data System (ADS)

    Shim, Jeong Hyun; Lee, Seong-Joo; Yu, Kwon-Kyu; Hwang, Seong-Min; Kim, Kiwoong

    2014-02-01

    A pulse, which is produced by a single coil and thereby has a linear polarization, cannot coherently drive nuclear spins if the pulse is stronger than the static field B0. The inaccuracy of the pulse, which arises from the failure of the rotating wave approximation, has been an obstacle in adopting multiple pulse techniques in ultra-low field NMR where B0 is less than a few μT. Here, we show that such a limitation can be overcome by applying pulses of circular polarization using two orthogonal coils. The sinusoidal nutation of the nuclear spins was experimentally obtained, which indicates that coherent and precise controls of the nuclear spins can be achieved with circularly polarized pulses. Additional demonstration of the Carl-Purcell-Meiboom-Gill sequence verifies the feasibility of adopting multiple pulse sequences to ultra-low field NMR studies.

  1. Polar Bear

    USGS Publications Warehouse

    Amstrup, S.D.; DeMaster

    1988-01-01

    Polar bears are long-lived, late-maturing carnivores that have relatively low rates of reproduction and natural mortality. Their populations are susceptible to disturbance from human activities, such as the exploration and development of mineral resources or hunting. Polar bear populations have been an important renewable resource available to coastal communities throughout the Arctic for thousands of years.

  2. Room temperature hyperpolarization of nuclear spins in bulk

    PubMed Central

    Tateishi, Kenichiro; Negoro, Makoto; Nishida, Shinsuke; Kagawa, Akinori; Morita, Yasushi; Kitagawa, Masahiro

    2014-01-01

    Dynamic nuclear polarization (DNP), a means of transferring spin polarization from electrons to nuclei, can enhance the nuclear spin polarization (hence the NMR sensitivity) in bulk materials at most 660 times for 1H spins, using electron spins in thermal equilibrium as polarizing agents. By using electron spins in photo-excited triplet states instead, DNP can overcome the above limit. We demonstrate a 1H spin polarization of 34%, which gives an enhancement factor of 250,000 in 0.40 T, while maintaining a bulk sample (∼0.6 mg, ∼0.7 × 0.7 × 1 mm3) containing >1019 1H spins at room temperature. Room temperature hyperpolarization achieved with DNP using photo-excited triplet electrons has potentials to be applied to a wide range of fields, including NMR spectroscopy and MRI as well as fundamental physics. PMID:24821773

  3. Polarizing Antiprotons Using DNP-in-Flight

    SciTech Connect

    Krisch, A. D.

    2008-04-30

    This talk will review my 'crazy' idea presented at the 1985 Bodega Bay workshop on polarizing antiprotons; I then called the idea 'Moving Dynamic Nuclear Polarization'. However, in his historical introduction to this Daresbury Workshop, Erhard Steffens called it 'Dynamic Nuclear Polarization in flight'; this name seems better. I will first briefly review the 1985 workshop and then discuss the prospects for 'DNP-in-flight' 22 years later.

  4. Sensitivity of VIIRS Polarization Measurements

    NASA Technical Reports Server (NTRS)

    Waluschka, Eugene

    2010-01-01

    The design of an optical system typically involves a sensitivity analysis where the various lens parameters, such as lens spacing and curvatures, to name two parameters, are (slightly) varied to see what, if any, effect this has on the performance and to establish manufacturing tolerances. A sinular analysis was performed for the VIIRS instruments polarization measurements to see how real world departures from perfectly linearly polarized light entering VIIRS effects the polarization measurement. The methodology and a few of the results of this polarization sensitivity analysis are presented and applied to the construction of a single polarizer which will cover the VIIRS VIS/NIR spectral range. Keywords: VIIRS, polarization, ray, trace; polarizers, Bolder Vision, MOXTEK

  5. Polarized rainbow.

    PubMed

    Können, G P; de Boer, J H

    1979-06-15

    The Airy theory of the rainbow is extended to polarized light. For both polarization directions a simple analytic expression is obtained for the intensity distribution as a function of the scattering angle in terms of the Airy function and its derivative. This approach is valid at least down to droplet diameters of 0.3 mm in visible light. The degree of polarization of the rainbow is less than expected from geometrical optics; it increases with droplet size. For a droplet diameter >1 mm the locations of the supernumerary rainbows are equal for both polarization directions, but for a diameter <1 mm the supernumerary rainbows of the weaker polarization component are located between those in the strong component. PMID:20212586

  6. Investigation of laser polarized xenon magnetic resonance

    NASA Technical Reports Server (NTRS)

    Walsworth, Ronald L.

    1998-01-01

    Ground-based investigations of a new biomedical diagnostic technology: nuclear magnetic resonance of laser polarized noble gas are addressed. The specific research tasks discussed are: (1) Development of a large-scale noble gas polarization system; (2) biomedical investigations using laser polarized noble gas in conventional (high magnetic field) NMR systems; and (3) the development and application of a low magnetic field system for laser polarized noble gas NMR.

  7. Polar processing project

    NASA Astrophysics Data System (ADS)

    Tom, C. N.; Davies, W. J.; Goycochea, J. F.

    1993-09-01

    The purpose of this project was to explore the use of polar processing techniques in SIGINT-related signal processing applications. An investigation of ways to apply the CORDIC arithmetic algorithm to signal processing problems, and an application of the TMC2330 Coordinate Transformer chip in a coprocessor or accelerator board for a Sun workstation are covered.

  8. Polar Glaciology

    NASA Technical Reports Server (NTRS)

    Robin, G. D.

    1984-01-01

    Two fields of research on polar ice sheets are likely to be of dominant interest during the 1990s. These are: the role of polar ice sheets in the hydrological cycle ocean-atmosphere-ice sheets-oceans, especially in relation to climate change; and the study and interpretation of material in deep ice cores to provide improved knowledge of past climates and of the varying levels of atmospheric constituents such as CO2, NOx, SO2, aerosols, etc., over the past 200,000 years. Both topics require a better knowledge of ice dynamics. Many of the studies that should be undertaken in polar regions by Earth Observing System require similar instruments and techniques to those used elsewhere over oceans and inland surfaces. However to study polar regions two special requirements need to be met: Earth Observing System satellite(s) need to be in a sufficiently high inclination orbit to cover most of the polar regions. Instruments must also be adapted, often by relatively limited changes, to give satisfactory data over polar ice. The observational requirements for polar ice sheets in the 1990s are summarized.

  9. Laboratory Search for a Long-Range T-Odd, P-Odd Interaction from Axionlike Particles Using Dual-Species Nuclear Magnetic Resonance with Polarized Xe129 and Xe131 Gas

    NASA Astrophysics Data System (ADS)

    Bulatowicz, M.; Griffith, R.; Larsen, M.; Mirijanian, J.; Fu, C. B.; Smith, E.; Snow, W. M.; Yan, H.; Walker, T. G.

    2013-09-01

    Various theories beyond the standard model predict new particles with masses in the sub-eV range with very weak couplings to ordinary matter. A new P-odd and T-odd interaction between polarized and unpolarized nucleons proportional to K→·r→ is one such possibility, where r→ is the distance between the nucleons and K→ is the spin of the polarized nucleon. Such an interaction involving a scalar coupling gs at one vertex and a pseudoscalar coupling gp at the polarized nucleon vertex can be induced by the exchange of spin-0 bosons. We used the NMR cell test station at Northrop Grumman Corporation to search for NMR frequency shifts in polarized Xe129 and Xe131 when a nonmagnetic zirconia rod is moved near the NMR cell. Long (T2˜20s) spin-relaxation times allow precision measurements of the NMR frequency ratios, which are insensitive to magnetic field fluctuations. Combined with existing theoretical calculations of the neutron spin contribution to the nuclear angular momentum in xenon nuclei, the measurements improve the laboratory upper bound on the product gsgpn by 2 orders of magnitude for distances near 1 mm. The sensitivity of this technique can be increased by at least two more orders of magnitude.

  10. Polarization spectroscopy of tokamak plasmas

    SciTech Connect

    Wroblewski, D.

    1991-09-01

    Measurements of polarization of spectral lines emitted by tokamak plasmas provide information about the plasma internal magnetic field and the current density profile. The methods of polarization spectroscopy, as applied to the tokamak diagnostic, are reviewed with emphasis on the polarimetry of motional Stark effect in hydrogenic neutral beam emissions. 25 refs., 7 figs.

  11. An electromagnetic helical undulator for polarized x-rays

    SciTech Connect

    Gluskin, E.; Vinokurov, N.; Tcheskidov, V.; Medvedko, A.; Evtushenko, Y. Kolomogorov, V.; Vobly, P.; Antokhin, E.; Ivanov, P.; Vasserman, I. B.; Trakhtenberg, E. M.; Den Hartog, P. K.; Deriy, B.; Erdmann, M.; Makarov, O.; Moog, E. R.

    1999-10-28

    Linearly and circularly polarized x-rays have been very successfully applied to the study of the properties of materials. Many applications can benefit from the availability of energy-turnable, high-brilliance x-ray beams with adjustable polarization properties. A helical undulator that can generate beams of variable (linear to circular) polarization has been designed and built by the Budker Institute of Nuclear Physics and the Advanced Photon Source. The first harmonic of this 12.8-cm-period device will cover the energy range from 0.4 keV to 3.5 keV. An important feature of this fully electromagnetic device is that it will allow one to generate 100% horizontally (K{sub x}=O)or vertically (K{sub y}=O) plane-polarized radiation, which will enable many experiments otherwise not technically feasible. With symmetric deflection parameters (K{sub x}=K{sub y}), the on-axis radiation will be circularly polarized, with a user-selectable handedness. The polarization can be changed at rates up to 10 Hz.

  12. Polarizing cues.

    PubMed

    Nicholson, Stephen P

    2012-01-01

    People categorize themselves and others, creating ingroup and outgroup distinctions. In American politics, parties constitute the in- and outgroups, and party leaders hold sway in articulating party positions. A party leader's endorsement of a policy can be persuasive, inducing co-partisans to take the same position. In contrast, a party leader's endorsement may polarize opinion, inducing out-party identifiers to take a contrary position. Using survey experiments from the 2008 presidential election, I examine whether in- and out-party candidate cues—John McCain and Barack Obama—affected partisan opinion. The results indicate that in-party leader cues do not persuade but that out-party leader cues polarize. This finding holds in an experiment featuring President Bush in which his endorsement did not persuade Republicans but it polarized Democrats. Lastly, I compare the effect of party leader cues to party label cues. The results suggest that politicians, not parties, function as polarizing cues. PMID:22400143

  13. Polar motion

    NASA Technical Reports Server (NTRS)

    Kolenkiewicz, R.

    1973-01-01

    Tracking of the Beacon Explorer-C satellite by a precision laser system was used to measure the polar motion and solid earth tide. The tidal perturbation of satellite latitude is plotted as variation in maximum latitude in seconds of arc on earth's surface as a function of the date, and polar motion is shown by plotting the variation in latitude of the laser in seconds of arc along the earth's surface as a function of date

  14. New experimental possibility to search for the ratio of a possible T-violating amplitude to the weak-interaction amplitude in polarized neutron transmission through a polarized nuclear target

    SciTech Connect

    Lukashevich, V. V.; Aldushchenkov, A. V.; Dallman, D.

    2011-03-15

    This paper considers a spin-dependent neutron interaction with optical potentials (fields) from the strong interaction, the weak interaction, and an assumed T-violating interaction. The vector sum of these fields and their interferences determines an effective field of the target with an angular position in space due to polar and azimuthal angles. The phase of the azimuthal component is found to be the sum of two angles. The tangent of the first angle is equal to the ratio of the T-violating forward-scattering amplitude D to the weak-interaction amplitude C. The quantity is of interest. The tangent of the second angle depends on the spin rotation in the residual pseudomagnetic field of the target, and it can be treated as a background effect. This paper shows that the second angle has different signs in measurements with polarized and unpolarized neutrons; thus, two measurements allow it to be compensated for. In addition, the use of the Ramsey method of separated oscillatory fields for measurement of the neutron spin rotation angle, depending on the phase of the rf field in the Ramsey cell, allows a cosine-like spectrum to be measured. This spectrum is called a phase spectrum. The phase spectra measured with polarized and unpolarized targets have a phase shift. The measurements of this phase shift with polarized and nonpolarized neutrons at a p-wave resonance enable the ratio D/C to be isolated. We also describe the algorithm for separating the ratio D/C, taking into account the influence of the fringing fields of the Ramsey coil magnet and the target magnet.

  15. Polarization compensator for optical communications

    NASA Technical Reports Server (NTRS)

    Fitzmaurice, M. W.; Abshire, J. B. (Inventor)

    1976-01-01

    An optical data communication system is provided whereby two orthogonal polarization states of a light beam carrier correspond to digital states. In such a system, automatic polarization compensation is provided by applying a dither modulating voltage to a cell exhibiting the electro-optic effect. The cell controls the relative phase of electric field components of an input light beam enabling the dither frequency component of the difference of the instantaneous powers in the two polarization states to be coherently detected. A signal derived from the coherent detection process is fed back to the cell via an integrator to form polarization bias compensating servo loop ot Type 1.

  16. Exploring the conformational energy landscape of glassy disaccharides by cross polarization magic angle spinning 13C nuclear magnetic resonance and numerical simulations. II. Enhanced molecular flexibility in amorphous trehalose

    NASA Astrophysics Data System (ADS)

    Lefort, Ronan; Bordat, Patrice; Cesaro, Attilio; Descamps, Marc

    2007-01-01

    This paper uses chemical shift surfaces to simulate experimental C13 cross polarization magic angle spinning spectra for amorphous solid state disaccharides, paying particular attention to the glycosidic linkage atoms in trehalose, sucrose, and lactose. The combination of molecular mechanics with density functional theory/gauge invariant atomic orbital ab initio methods provides reliable structural information on the conformational distribution in the glass. The results are interpreted in terms of an enhanced flexibility that trehalose possesses in the amorphous solid state, at least on the time scale of C13 nuclear magnetic resonance measurements. Implications of these findings for the fragility of trehalose glass and bioprotectant action are discussed.

  17. EDITORIAL: Polarization Optics

    NASA Astrophysics Data System (ADS)

    Turunen, Jari; Friesem, Asher A.; Friberg, Ari T.

    2004-03-01

    transmission of intense light enable research into the chirality of nanogratings. Pump-probe techniques allow one to visualize the effects of the nanostructure topology on the surface mode excitation. In quantum optics the coherent control of polarization may lead to new and fascinating applications. Some authors of invited papers at the conference have written review-type introductory sections—they were encouraged to do so—but all contributions are genuine research papers with original results, and were judged according to the normal publication criteria of the journal. It is our pleasure to thank all authors for making this a splendid special issue of Journal of Optics A: Pure and Applied Optics.

  18. Polarized Sources, Targets and Polarimetry

    NASA Astrophysics Data System (ADS)

    Ciullo, Guiseppe; Contalbrigo, Marco; Lenisa, P.

    2011-01-01

    Remarks on the history of workshops on "spin tools" / E. Steffens -- Polarized proton beams in RHIC / A. Zelenski -- The COSY/Julich polarized H[symbol] and D[symbol] ion source / O. Felden -- The new source of polarized ions for the JINR accelerator complex / V. V. Fimushkin -- Resonance effects in nuclear dichroism - an inexpensive source of tensor-polarized deuterons / H. Seyfarth -- Polarized electrons and positrons at the MESA accelerator / K. Aulenbacher -- Status report of the Darmstadt polarized electron injector / Y. Poltoratska -- The Mott polarimeter at MAMI / V. Tioukine -- Proton polarimetry at the relativistic heavy ion collider / Y. Makdisi -- Polarisation and polarimetry at HERA / B. Sobloher -- Polarisation measurement at the ILC with a Compton polarimeter / C. Bartels -- Time evolution of ground motion-dependent depolarisation at linear colliders / A. Hartin -- Electron beam polarimetry at low energies and its applications / R. Barday -- Polarized solid targets: recent progress and future prospects / C. D. Keith -- HD gas distillation and analysis for HD frozen spin targets / A. D'Angelo -- Electron spin resonance study of hydrogen and alkyl free radicals trapped in solid hydrogen aimed for dynamic nuclear polarization of solid HD / T. Kumada -- Change of ultrafast nuclear-spin polarization upon photoionization by a short laser pulse / T. Nakajima -- Radiation damage and recovery in polarized [symbol]NH[symbol] ammonia targets at Jefferson lab / J. D. Maxwell.Polarized solid proton target in low magnetic field and at high temperature / T. Uesaka -- Pulse structure dependence of the proton spin polarization rate / T. Kawahara -- Proton NMR in the large COMPASS [symbol]NH[symbol] target / J. Koivuniemi -- DNP with TEMPO and trityl radicals in deuterated polystyrene / L. Wang -- The CLIC electron and positron polarized sources / L. Rinolfi -- Status of high intensity polarized electron gun at MIT-Bates / E. Tsentalovich -- Target section for spin

  19. Enhanced global Radionuclide Source Attribution for the Nuclear-Test-Ban Verification by means of the Adjoint Ensemble Dispersion Modeling Technique applied at the IDC/CTBTO.

    NASA Astrophysics Data System (ADS)

    Becker, A.; Wotawa, G.; de Geer, L.

    2006-05-01

    findings of the ensemble dispersion modeling (EDM) technique No. 5 efforts performed by Galmarini et al, 2004 (Atmos. Env. 38, 4607-4617). As the scope of the adjoint EDM methodology is not limited to CTBT verification but can be applied to any kind of nuclear event monitoring and location it bears the potential to improve the design of manifold emergency response systems towards preparedness concepts as needed for mitigation of disasters (like Chernobyl) and pre-emptive estimation of pollution hazards.

  20. Polar Color

    NASA Technical Reports Server (NTRS)

    2004-01-01

    [figure removed for brevity, see original site]

    Released 3 May 2004 This nighttime visible color image was collected on January 1, 2003 during the Northern Summer season near the North Polar Troughs.

    This daytime visible color image was collected on September 4, 2002 during the Northern Spring season in Vastitas Borealis. The THEMIS VIS camera is capable of capturing color images of the martian surface using its five different color filters. In this mode of operation, the spatial resolution and coverage of the image must be reduced to accommodate the additional data volume produced from the use of multiple filters. To make a color image, three of the five filter images (each in grayscale) are selected. Each is contrast enhanced and then converted to a red, green, or blue intensity image. These three images are then combined to produce a full color, single image. Because the THEMIS color filters don't span the full range of colors seen by the human eye, a color THEMIS image does not represent true color. Also, because each single-filter image is contrast enhanced before inclusion in the three-color image, the apparent color variation of the scene is exaggerated. Nevertheless, the color variation that does appear is representative of some change in color, however subtle, in the actual scene. Note that the long edges of THEMIS color images typically contain color artifacts that do not represent surface variation.

    Image information: VIS instrument. Latitude 79, Longitude 346 East (14 West). 19 meter/pixel resolution.

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