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Sample records for nuclear dynamics iii

  1. 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

  2. Dynamics of ferroelectric bis(imidazolium) pentachloroantimonate(III) by means of nuclear magnetic resonance 1H relaxometry and dielectric spectroscopy.

    PubMed

    Piecha-Bisiorek, A; Jakubas, R; Medycki, W; Florek-Wojciechowska, M; Wojciechowski, M; Kruk, D

    2014-05-22

    Some of haloantimonates(III) and halobismuthates(III) are ferroelectric. Bis(imidazolium) pentachloroantimonate(III), (C3N2H5)2SbCl5 (abbreviation: ICA) is the first example of such compounds with a one-dimensional anionic chain which exhibits ferroelectric properties. The relation between the ionic dynamics and network structure and the ferroelectric features is not clear. Here Nuclear Magnetic Resonance (NMR) (1)H spin-lattice relaxation experiments at 25 MHz are reported for ICA in the temperature range of 80 K-360 K, covering ferroelectric-paraelectric and structural phase transitions of the compound occurring at 180 and 342 K, respectively. The relaxation process is biexponential in the whole temperature range indicating two dynamically nonequivalent types of imidazolium cations. Temperature dependences of both relaxation contributions allow for identifying three motional processes. Two of them are cation-specific - i.e. they are attributed to the two types of imidazolium cations, respectively. The third process involves both types of cations, and it is characterized by much lower activation energy. Moreover, the relaxation data (combined with (1)H second moment measurements) show that the ferroelectric-paraelectric phase transition mechanism is governed, to a large extent, by the anionic network arrangement. The NMR studies are complemented by dielectric spectroscopy experiments performed in the vicinity of the Curie temperature, TC = 180 K, to get insight into the mechanism of the ferroelectric-paraelectric phase transition. The dielectric dispersion data show critical slowing down of the macroscopic relaxation time, τ, in ICA when approaching TC from the paraelectric side, indicating an order-disorder type of ferroelectrics. PMID:24804840

  3. Extended Deterrence, Nuclear Proliferation, and START III

    SciTech Connect

    Speed, R.D.

    2000-06-20

    Early in the Cold War, the United States adopted a policy of ''extended nuclear deterrence'' to protect its allies by threatening a nuclear strike against any state that attacks these allies. This threat can (in principle) be used to try to deter an enemy attack using conventional weapons or one using nuclear, chemical, or biological weapons. The credibility of a nuclear threat has long been subject to debate and is dependent on many complex geopolitical factors, not the least of which is the military capabilities of the opposing sides. The ending of the Cold War has led to a significant decrease in the number of strategic nuclear weapons deployed by the United States and Russia. START II, which was recently ratified by the Russian Duma, will (if implemented) reduce the number deployed strategic nuclear weapons on each side to 3500, compared to a level of over 11,000 at the end of the Cold War in 1991. The tentative limit established by Presidents Clinton and Yeltsin for START III would reduce the strategic force level to 2000-2500. However, the Russians (along with a number of arms control advocates) now argue that the level should be reduced even further--to 1500 warheads or less. The conventional view is that ''deep cuts'' in nuclear weapons are necessary to discourage nuclear proliferation. Thus, as part of the bargain to get the non-nuclear states to agree to the renewal of the Nuclear Non-Proliferation Treaty, the United States pledged to work towards greater reductions in strategic forces. Without movement in the direction of deep cuts, it is thought by many analysts that some countries may decide to build their own nuclear weapons. Indeed, this was part of the rationale India used to justify its own nuclear weapons program. However, there is also some concern that deep cuts (to 1500 or lower) in the U.S. strategic nuclear arsenal could have the opposite effect. The fear is that such cuts might undermine extended deterrence and cause a crisis in confidence

  4. PREFACE: Nuclear Physics in Astrophysics III

    NASA Astrophysics Data System (ADS)

    Bemmerer, D.; Grosse, E.; Junghans, A. R.; Schwengner, R.; Wagner, A.

    2008-01-01

    The Europhysics Conference `Nuclear Physics in Astrophysics III' (NPA3) took place from 26 31 March 2007 in Dresden, Germany, hosted by Forschungszentrum Dresden-Rossendorf. The present special issue of Journal of Physics G: Nuclear and Particle Physics contains all peer-reviewed contributions to the proceedings of this conference. NPA3 is the third conference in the Nuclear Physics in Astrophysics series of conferences devoted to the interplay between nuclear physics and astrophysics. The first and second editions of the series were held in 2002 and 2005 in Debrecen, Hungary. NPA3 has been organized under the auspices of the Nuclear Physics Board of the European Physical Society as its XXI Divisional Conference. The conference marks the 50th anniversary of the landmark paper B2FH published in 1957 by E M Burbidge, G R Burbidge, W A Fowler and F Hoyle. A public lecture by Claus Rolfs (Ruhr-Universität Bochum, Germany) commemorated the progress achieved since 1957. NPA3 aimed to bring together experimental and theoretical nuclear physicists, astrophysicists and astronomers to address the important part played by nuclear physics in current astrophysical problems. A total of 130 participants from 71 institutions in 26 countries attended the conference, presenting 33 invited and 38 contributed talks and 25 posters on six subject areas. The astrophysical motivation and the nuclear tools employed to address it are highlighted by the titles of the subject areas: Big Bang Nucleosynthesis Stellar Nucleosynthesis and Low Cross Section Measurement Explosive Nucleosynthesis and Nuclear Astrophysics with Photons Nuclei far from Stability and Radioactive Ion Beams Dense Matter in Neutron Stars and Relativistic Nuclear Collisions Neutrinos in Nuclear Astrophysics The presentations and discussions proved that Nuclear Astrophysics is a truly interdisciplinary subject. The remarkable progress in astronomical observations achieved in recent years is matched by advances in

  5. Friction in nuclear dynamics

    SciTech Connect

    Swiatecki, W.J.

    1985-03-01

    The problem of dissipation in nuclear dynamics is related to the breaking down of nuclear symmetries and the transition from ordered to chaotic nucleonic motions. In the two extreme idealizations of the perfectly Ordered Regime and the fully Chaotic Regime, the nucleus should behave as an elastic solid or an overdamped fluid, respectively. In the intermediate regime a complicated visco-elastic behaviour is expected. The discussion is illustrated by a simple estimate of the frequency of the giant quadrupole resonance in the Ordered Regime and by applications of the wall and window dissipation formulae in the Chaotic Regime. 51 refs.

  6. 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.

  7. Carrier dynamics in III-nitride semiconductors

    NASA Astrophysics Data System (ADS)

    Liu, Kai

    In the past decade, III-nitride semiconductors had a considerable impact in solid state lighting and high speed high power electronics. As technology develops, high Al content III-nitride semiconductors lead the edge of research. It opens the door to many applications especially portable ones: from homeland security, bio-analytical, medical diagnostic, air and water disinfection, sterilization, chemical sensing systems, non-line-of-sight (NLOS) communications, to high-density optical data storage. In this thesis, we first study GaN epilayers, as well as more complicate high Al content AlGaN/AlGaN MQW structures used as active media for deep UV LEDs. We theoretically study the photoluminescence (PL) dynamics in high quality GaN epilayers by establishing a new decay model. In our model, surface recombination, diffusion, and re-absorption are taken into account. Our model is in excellent agreement with experimental data obtained by time-resolved PL. Our results show that the carrier diffusion and surface recombination play key roles in the PL decay. For high Al content AlGaN/AlGaN MQW structures, we first present the investigation of built-in electric fields in AlxGa1-xN/Al yGa1-yN MQWs embedded into p-i-n structure by using photoluminescence experiments. By comparison of the Stark shifts induced by the p-i-n structure and by photo-excited free carrier screening, we evaluate the intrinsic electric field induced by piezoelectric and spontaneous polarizations. Furthermore we investigate carrier dynamics in sets of identically grown Al0.35Ga0.65N/Al 0.49Ga0.51N MQW structures with well widths varying from 1.65 to 5.0 nm by TR-PL and LITG techniques. We observed screening of the built-in electric field by free non-equilibrium carriers and localization governed PL kinetics at different decay stages. A decrease of carrier lifetime with increasing well width is observed and attributed to the carrier localization occurring due to well width fluctuations of the quantum well

  8. Protein-water dynamics in antifreeze protein III activity

    NASA Astrophysics Data System (ADS)

    Xu, Yao; Bäumer, Alexander; Meister, Konrad; Bischak, Connor G.; DeVries, Arthur L.; Leitner, David M.; Havenith, Martina

    2016-03-01

    We combine Terahertz absorption spectroscopy (THz) and molecular dynamics (MD) simulations to investigate the underlying molecular mechanism for the antifreeze activity of one class of antifreeze protein, antifreeze protein type III (AFP-III) with a focus on the collective water hydrogen bond dynamics near the protein. After summarizing our previous work on AFPs, we present a new investigation of the effects of cosolutes on protein antifreeze activity by adding sodium citrate to the protein solution of AFP-III. Our results reveal that for AFP-III, unlike some other AFPs, the addition of the osmolyte sodium citrate does not affect the hydrogen bond dynamics at the protein surface significantly, as indicated by concentration dependent THz measurements. The present data, in combination with our previous THz measurements and molecular simulations, confirm that while long-range solvent perturbation is a necessary condition for the antifreeze activity of AFP-III, the local binding affinity determines the size of the hysteresis.

  9. Relativistic nuclear dynamics

    SciTech Connect

    Coester, F.

    1985-01-01

    A review is presented of three distinct approaches to the construction of relativistic dynamical models: (1) Relativistic canonical quantum mechanics. (The Hilbert space of states is independent of the interactions, which are introduced by modifying the energy operator.) (2) Hilbert spaces of manifestly covariant wave functions. (The interactions modify the metric of the Hilbert space.) (3) Covariant Green functions. In each of the three approaches the focus is on the formulation of the two-body dynamics, and problems in the construction of the corresponding many-body dynamics are discussed briefly. 21 refs.

  10. 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

  11. 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:

  12. Nuclear chiral dynamics and thermodynamics

    NASA Astrophysics Data System (ADS)

    Holt, Jeremy W.; Kaiser, Norbert; Weise, Wolfram

    2013-11-01

    This presentation reviews an approach to nuclear many-body systems based on the spontaneously broken chiral symmetry of low-energy QCD. In the low-energy limit, for energies and momenta small compared to a characteristic symmetry breaking scale of order 1 GeV, QCD is realized as an effective field theory of Goldstone bosons (pions) coupled to heavy fermionic sources (nucleons). Nuclear forces at long and intermediate distance scales result from a systematic hierarchy of one- and two-pion exchange processes in combination with Pauli blocking effects in the nuclear medium. Short distance dynamics, not resolved at the wavelengths corresponding to typical nuclear Fermi momenta, are introduced as contact interactions between nucleons. Apart from a set of low-energy constants associated with these contact terms, the parameters of this theory are entirely determined by pion properties and low-energy pion-nucleon scattering observables. This framework (in-medium chiral perturbation theory) can provide a realistic description of both isospin-symmetric nuclear matter and neutron matter, with emphasis on the isospin-dependence determined by the underlying chiral NN interaction. The importance of three-body forces is emphasized, and the role of explicit Δ(1232)-isobar degrees of freedom is investigated in detail. Nuclear chiral thermodynamics is developed and a calculation of the nuclear phase diagram is performed. This includes a successful description of the first-order phase transition from a nuclear Fermi liquid to an interacting Fermi gas and the coexistence of these phases below a critical temperature Tc. Density functional methods for finite nuclei based on this approach are also discussed. Effective interactions, their density dependence and connections to Landau Fermi liquid theory are outlined. Finally, the density and temperature dependences of the chiral (quark) condensate are investigated.

  13. Dynamic Simulation Nuclear Power Plants

    Energy Science and Technology Software Center (ESTSC)

    1992-03-03

    DSNP (Dynamic Simulator for Nuclear Power-Plants) is a system of programs and data files by which a nuclear power plant, or part thereof, can be simulated. The acronym DSNP is used interchangeably for the DSNP language, the DSNP libraries, the DSNP precompiler, and the DSNP document generator. The DSNP language is a special-purpose, block-oriented, digital-simulation language developed to facilitate the preparation of dynamic simulations of a large variety of nuclear power plants. It is amore » user-oriented language that permits the user to prepare simulation programs directly from power plant block diagrams and flow charts by recognizing the symbolic DSNP statements for the appropriate physical components and listing these statements in a logical sequence according to the flow of physical properties in the simulated power plant. Physical components of nuclear power plants are represented by functional blocks, or modules. Many of the more complex components are represented by several modules. The nuclear reactor, for example, has a kinetic module, a power distribution module, a feedback module, a thermodynamic module, a hydraulic module, and a radioactive heat decay module. These modules are stored in DSNP libraries in the form of a DSNP subroutine or function, a block of statements, a macro, or a combination of the above. Basic functional blocks such as integrators, pipes, function generators, connectors, and many auxiliary functions representing properties of materials used in nuclear power plants are also available. The DSNP precompiler analyzes the DSNP simulation program, performs the appropriate translations, inserts the requested modules from the library, links these modules together, searches necessary data files, and produces a simulation program in FORTRAN.« less

  14. The sapphire backscattering monochromator at the Dynamics beamline P01 of PETRA III

    DOE PAGESBeta

    Alexeev, P.; Asadchikov, V.; Bessas, D.; Butashin, A.; Deryabin, A.; Dill, F. -U.; Ehnes, A.; Herlitschke, M.; Hermann, R. P.; Jafari, A.; et al

    2016-02-23

    Here, we report on a high resolution sapphire backscattering monochromator installed at the Dynamics beamline P01 of PETRA III. The device enables nuclear resonance scattering experiments on M ossbauer isotopes with transition energies between 20 and 60 keV with sub-meV to meV resolution. In a first performance test with 119Sn nuclear resonance at a X-ray energy of 23.88 keV an energy resolution of 1.34 meV was achieved. Moreover, the device extends the field of nuclear resonance scattering at the PETRA III synchrotron light source to many further isotopes like 151Eu, 149Sm, 161Dy, 125Te and 121Sb.

  15. The sapphire backscattering monochromator at the Dynamics beamline P01 of PETRA III

    SciTech Connect

    Alexeev, Pavel; Asadchikov, Victor E; Bessas, D.; Butashin, A. V.; Deryabin, A. N.; Dill, F.-U.; Ehnes, A.; Herlitschke, Marcus; Hermann, Raphael P; Jafari, Atefeh; Prokhorov, I A; Roshchin, boris s; Roehlsberger, Ralf; Schlage, Kai; Sergueev, I.; Siemens, A.; Wille, Hans Christian

    2016-01-01

    We report on a high resolution sapphire backscattering monochromator installed at the Dynamics beamline P01 of PETRA III. The device enables nuclear resonance scattering experiments on M ossbauer isotopes with transition energies between 20 and 60 keV with sub-meV to meV resolution. In a first performance test with 119Sn nuclear resonance at a X-ray energy of 23.88 keV an energy resolution of 1.34 meV was achieved. The device extends the field of nuclear resonance scattering at the PETRA III synchrotron light source to many further isotopes like 151Eu, 149Sm, 161Dy, 125Te and 121Sb.

  16. NGC1300 dynamics - III. Orbital analysis

    NASA Astrophysics Data System (ADS)

    Patsis, P. A.; Kalapotharakos, C.; Grosbøl, P.

    2010-10-01

    We present the orbital analysis of four response models that succeed in reproducing morphological features of NGC1300. Two of them assume a planar (2D) geometry with Ωp = 22 and 16kms-1kpc-1, respectively. The two others assume a cylindrical (thick) disc and rotate with the same pattern speeds as the 2D models. These response models reproduce most successfully main morphological features of NGC1300 among a large number of models, as became evident in a previous study. Our main result is the discovery of three new dynamical mechanisms that can support structures in a barred spiral grand design system. These mechanisms are presented in characteristic cases, where these dynamical phenomena take place. They refer first to the support of a strong bar, of ansae type, almost solely by chaotic orbits, then to the support of spirals by chaotic orbits that for a certain number of pattern revolutions follow an n:1 (n = 7,8) morphology, and finally to the support of spiral arms by a combination of orbits trapped around L4, 5 and sticky chaotic orbits with the same Jacobi constant. We have encountered these dynamical phenomena in a large fraction of the cases we studied as we varied the parameters of our general models, without forcing in some way their appearance. This suggests that they could be responsible for the observed morphologies of many barred spiral galaxies. Comparing our response models among themselves we find that the NGC1300 morphology is best described by a thick-disc model for the bar region and a 2D disc model for the spirals, with both components rotating with the same pattern speed Ωp = 16km s-1kpc-1. In such a case, the whole structure is included inside the corotation of the system. The bar is supported mainly by regular orbits, while the spirals are supported by chaotic orbits. Based on observations collected at the European Southern Observatory, Chile: programme ESO 69.A-0021. E-mail: patsis@academyofathens.gr (PAP); ckalapot@phys.uoa.gr (CK

  17. Pairing effects in nuclear dynamic

    NASA Astrophysics Data System (ADS)

    Lacroix, Denis; Scamps, Guillaume; Tanimura, Yusuke

    2016-05-01

    In recent years, efforts have been made to account for super-fluidity in time-dependent mean-field description of nuclear dynamic [1-5]. Inclusion of pairing is important to achieve a realistic description of static properties of nuclei. Here,we show that pairing can also affect the nuclear motion. State of the art TDHF approach can describe from small to large amplitude collective motion as well as the collision between nuclei. Very recently, this microscopic approach has been improved to include pairing either in the BCS or HFB framework. Recent applications of the 3D TDHF + BCS (TDHF+BCS) model introduced in [4] will be presented. The role of super-fluidity on collective motion [6, 7], on one- and two-particle transfer [8] and on fission [9, 10] will be illustrated.

  18. Descriptive and dynamic psychiatry: a perspective on DSM-III.

    PubMed

    Frances, A; Cooper, A M

    1981-09-01

    The APA Task Force on Nomenclature and Statistics attempted to make DSM-III a descriptive nosology that is atheoretical in regard to etiology. The authors believe that a sharp polarity between morphological classification and explanatory formulation is artificial and misleading, and they critically review DSM-III from a psychodynamic perspective. They compare and contrast the descriptive orientation in psychiatry with the psychodynamic orientation and conclude that the two approaches overlap, that they are complementary and necessary to each other, and that there is a descriptive data base underlying dynamic psychiatry which may be usefully included in future nomenclatures. PMID:7023255

  19. 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.

  20. 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

  1. 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

  2. Fermionic Molecular Dynamics for Nuclear Dynamics and Thermodynamics

    NASA Astrophysics Data System (ADS)

    Hasnaoui, K. H. O.; Chomaz, Ph; Gulminelli, F.

    A new Fermionic Molecular Dynamics (FMD) model based on a Skyrme functional is proposed in this paper. After introducing the basic formalism, some first applications to nuclear structure and nuclear thermodynamics are presented.

  3. Nuclear EGFRvIII resists hypoxic microenvironment induced apoptosis via recruiting ERK1/2 nuclear translocation.

    PubMed

    Xie, Hui; Yang, Jinfeng; Xing, Wenjing; Dong, Yucui; Ren, Huan

    2016-02-01

    Glioblastoma (GBM) is the most aggressive type of primary brain tumor. Its interaction with the tumor microenvironment promotes tumor progression. Furthermore, GBM bearing expression of EGFRvIII displays more adaptation to tumor microenvironment related stress. But the mechanisms were poorly understood. Here, we presented evidence that in the human U87MG glioblastoma tumor model, EGFRvIII overexpression led aberrant kinase activation and nuclear translocation of EGFRvIII/ERK1/2 under hypoxia, which induced growth advantage by resisting apoptosis. Additionally, EGFRvIII defective in nuclear entry impaired this capacity in hypoxia adaptation, and partially interrupted ERK1/2 nuclear translocation. Pharmacology or genetic interference ERK1/2 decreased hypoxia resistance triggered by EGFRvIII expression, but not EGFRvIII nuclear translocation. In summary, this study identified a novel role for EGFRvIII in hypoxia tolerance, supporting an important link between hypoxia and subcellular localization alterations of the receptor. PMID:26742423

  4. Dynamic Analysis of Nuclear Energy System Strategies

    SciTech Connect

    Den Durpel, Luc Van

    2004-06-17

    DANESS is an integrated process model for nuclear energy systems allowing the simulation of multiple reactors and fuel cycles in a continuously changing nuclear reactor park configuration. The model is energy demand driven and simulates all nuclear fuel cycle facilites, up to 10 reactors and fuels. Reactor and fuel cycle facility history are traced and the cost of generating energy is calculated per reactor and for total nuclear energy system. The DANESS model aims at performing dynamic systems analysis of nuclear energy development used for integrated analysis of development paths for nuclear energy, parameter scoping for new nuclear energy systems, economic analysis of nuclear energy, government role analysis, and education.

  5. Lattice dynamics study of bismuth III V compounds

    NASA Astrophysics Data System (ADS)

    Belabbes, A.; Zaoui, A.; Ferhat, M.

    2008-10-01

    We present first-principles calculations of the structural and lattice-dynamical properties for cubic bismuth III-V compounds: BBi, AlBi and GaBi. The ground-state properties, i.e., the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. The effect of pressure on the dynamical charges and the longitudinal optical-transverse optical splitting is also examined.

  6. Pion scattering and nuclear dynamics

    SciTech Connect

    Johnson, M.B.

    1988-01-01

    A phenomenological optical-model analysis of pion elastic scattering and single- and double-charge-exchange scattering to isobaric-analog states is reviewed. Interpretation of the optical-model parameters is briefly discussed, and several applications and extensions are considered. The applications include the study of various nuclear properties, including neutron deformation and surface-fluctuation contributions to the density. One promising extension for the near future would be to develop a microscopic approach based on powerful momentum-space methods brought to existence over the last decade. In this, the lowest-order optical potential as well as specific higher-order pieces would be worked out in terms of microscopic pion-nucleon and delta-nucleon interactions that can be determined within modern meson-theoretical frameworks. A second extension, of a more phenomenological nature, would use coupled-channel methods and shell-model wave functions to study dynamical nuclear correlations in pion double charge exchange. 35 refs., 11 figs., 1 tab.

  7. Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching between Two DNA-Bound States

    SciTech Connect

    Cotner-Gohara, Elizabeth; Kim, In-Kwon; Hammel, Michal; Tainer, John A.; Tomkinson, Alan E.; Ellenberger, Tom

    2010-09-13

    Human DNA ligase III has essential functions in nuclear and mitochondrial DNA replication and repair and contains a PARP-like zinc finger (ZnF) that increases the extent of DNA nick joining and intermolecular DNA ligation, yet the bases for ligase III specificity and structural variation among human ligases are not understood. Here combined crystal structure and small-angle X-ray scattering results reveal dynamic switching between two nick-binding components of ligase III: the ZnF-DNA binding domain (DBD) forms a crescent-shaped surface used for DNA end recognition which switches to a ring formed by the nucleotidyl transferase (NTase) and OB-fold (OBD) domains for catalysis. Structural and mutational analyses indicate that high flexibility and distinct DNA binding domain features in ligase III assist both nick sensing and the transition from nick sensing by the ZnF to nick joining by the catalytic core. The collective results support a 'jackknife model' in which the ZnF loads ligase III onto nicked DNA and conformational changes deliver DNA into the active site. This work has implications for the biological specificity of DNA ligases and functions of PARP-like zinc fingers.

  8. Human DNA ligase III recognizes DNA ends by dynamic switching between two DNA-bound states.

    PubMed

    Cotner-Gohara, Elizabeth; Kim, In-Kwon; Hammel, Michal; Tainer, John A; Tomkinson, Alan E; Ellenberger, Tom

    2010-07-27

    Human DNA ligase III has essential functions in nuclear and mitochondrial DNA replication and repair and contains a PARP-like zinc finger (ZnF) that increases the extent of DNA nick joining and intermolecular DNA ligation, yet the bases for ligase III specificity and structural variation among human ligases are not understood. Here combined crystal structure and small-angle X-ray scattering results reveal dynamic switching between two nick-binding components of ligase III: the ZnF-DNA binding domain (DBD) forms a crescent-shaped surface used for DNA end recognition which switches to a ring formed by the nucleotidyl transferase (NTase) and OB-fold (OBD) domains for catalysis. Structural and mutational analyses indicate that high flexibility and distinct DNA binding domain features in ligase III assist both nick sensing and the transition from nick sensing by the ZnF to nick joining by the catalytic core. The collective results support a "jackknife model" in which the ZnF loads ligase III onto nicked DNA and conformational changes deliver DNA into the active site. This work has implications for the biological specificity of DNA ligases and functions of PARP-like zinc fingers. PMID:20518483

  9. Dynamical Aspects of Nuclear Fission

    NASA Astrophysics Data System (ADS)

    Kliman, J.; Itkis, M. G.; Gmuca, Š.

    2008-11-01

    Fission dynamics. Dependence of scission-neutron yield on light-fragment mass for [symbol]=1/2 [et al.]. Dynamics of capture quasifission and fusion-fission competition / L. Stuttgé ... [et al.] -- Fission-fission. The processes of fusion-fission and quasi-fission of superheavy nuclei / M. G. Itkis ... [et al.]. Fission and quasifission in the reactions [symbol]Ca+[symbol]Pb and [symbol]Ni+[symbol]W / G. N. Knyazheva ... [et al.]. Mass-energy characteristics of reactions [symbol]Fe+[symbol][symbol][symbol]266Hs and [symbol]Mg+[symbol]Cm[symbol][symbol]Hs at Coulomb barrier / L. Krupa ... [et al.]. Fusion of heavy ions at extreme sub-barrier energies / Ş. Mişicu and H. Esbensen. Fusion and fission dynamics of heavy nuclear system / V. Zagrebaev and W. Greiner. Time-dependent potential energy for fusion and fission processes / A. V. Karpov ... [et al.] -- Superheavy elements. Advances in the understanding of structure and production mechanisms for superheavy elements / W. Greiner and V. Zagrebaev. Fission barriers of heaviest nuclei / A. Sobiczewski ... [et al.]. Possibility of synthesizing doubly magic superheavy nuclei / Y Aritomo ... [et al.]. Synthesis of superheavy nuclei in [symbol]Ca-induced reactions / V. K. Utyonkov ... [et al.] -- Fragmentation. Production of neutron-rich nuclei in the nucleus-nucleus collisions around the Fermi energy / M. Veselský. Signals of enlarged core in [symbol]Al / Y. G. Ma ... [et al.] -- Exotic modes. New insight into the fission process from experiments with relativistic heavy-ion beams / K.-H. Schmidt ... [et al.]. New results for the intensity of bimodal fission in binary and ternary spontaneous fission of [symbol]Cf / C. Goodin ... [et al.]. Rare fission modes: study of multi-cluster decays of actinide nuclei / D. V. Kamanin ... [et al.]. Energy distribution of ternary [symbol]-particles in [symbol]Cf(sf) / M. Mutterer ... [et al.]. Preliminary results of experiment aimed at searching for collinear cluster tripartition of

  10. Dynamic Analysis of Nuclear Energy System Strategies

    Energy Science and Technology Software Center (ESTSC)

    2004-06-17

    DANESS is an integrated process model for nuclear energy systems allowing the simulation of multiple reactors and fuel cycles in a continuously changing nuclear reactor park configuration. The model is energy demand driven and simulates all nuclear fuel cycle facilites, up to 10 reactors and fuels. Reactor and fuel cycle facility history are traced and the cost of generating energy is calculated per reactor and for total nuclear energy system. The DANESS model aims atmore » performing dynamic systems analysis of nuclear energy development used for integrated analysis of development paths for nuclear energy, parameter scoping for new nuclear energy systems, economic analysis of nuclear energy, government role analysis, and education.« less

  11. 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.

  12. Order, chaos and nuclear dynamics: An introduction

    SciTech Connect

    Swiatecki, W.J.

    1990-08-01

    This is an introductory lecture illustrating by simple examples the anticipated effect on collective nuclear dynamics of a transition from order to chaos in the motions of nucleons inside an idealized nucleus. The destruction of order is paralleled by a transition from a rubber-like to a honey-like behaviour of the independent-particle nuclear model. 10 refs., 6 figs.

  13. 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

  14. 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

  15. 10 CFR 76.117 - Special nuclear material of low strategic significance-Category III.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 2 2014-01-01 2014-01-01 false Special nuclear material of low strategic significance-Category III. 76.117 Section 76.117 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF.... Department of Energy (DOE) as Unclassified Controlled Nuclear Information must be protected in...

  16. 10 CFR 76.117 - Special nuclear material of low strategic significance-Category III.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 2 2013-01-01 2013-01-01 false Special nuclear material of low strategic significance-Category III. 76.117 Section 76.117 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF.... Department of Energy (DOE) as Unclassified Controlled Nuclear Information must be protected in...

  17. 10 CFR 76.117 - Special nuclear material of low strategic significance-Category III.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 2 2011-01-01 2011-01-01 false Special nuclear material of low strategic significance-Category III. 76.117 Section 76.117 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safeguards and Security § 76.117 Special nuclear material of low...

  18. 10 CFR 76.117 - Special nuclear material of low strategic significance-Category III.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 2 2010-01-01 2010-01-01 false Special nuclear material of low strategic significance-Category III. 76.117 Section 76.117 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safeguards and Security § 76.117 Special nuclear material of low...

  19. 10 CFR 76.117 - Special nuclear material of low strategic significance-Category III.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 2 2012-01-01 2012-01-01 false Special nuclear material of low strategic significance-Category III. 76.117 Section 76.117 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF.... Department of Energy (DOE) as Unclassified Controlled Nuclear Information must be protected in...

  20. Dynamical symmetries in nuclear structure

    SciTech Connect

    Casten, R.F.

    1986-01-01

    In recent years the concept of dynamical symmetries in nuclei has witnessed a renaissance of interest and activity. Much of this work has been developed in the context of the Interacting Boson Approximation (or IBA) model. The appearance and properties of dynamical symmetries in nuclei will be reviewed, with emphasis on their characteristic signatures and on the role of the proton-neutron interaction in their formation, systematics and evolution. 36 refs., 20 figs.

  1. RAVEN. Dynamic Event Tree Approach Level III Milestone

    SciTech Connect

    Alfonsi, Andrea; Rabiti, Cristian; Mandelli, Diego; Cogliati, Joshua; Kinoshita, Robert

    2014-07-01

    Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics are not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (DPRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed to perform two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, the control logic infrastructure is used to model stochastic events, such as components failures, and perform uncertainty propagation. Such stochastic modeling is deployed using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This report focuses on the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, a DPRA analysis, using DET, of a simplified pressurized water reactor for a Station Black-Out (SBO) scenario is presented.

  2. RAVEN: Dynamic Event Tree Approach Level III Milestone

    SciTech Connect

    Andrea Alfonsi; Cristian Rabiti; Diego Mandelli; Joshua Cogliati; Robert Kinoshita

    2013-07-01

    Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics are not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (DPRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed to perform two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, the control logic infrastructure is used to model stochastic events, such as components failures, and perform uncertainty propagation. Such stochastic modeling is deployed using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This report focuses on the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, a DPRA analysis, using DET, of a simplified pressurized water reactor for a Station Black-Out (SBO) scenario is presented.

  3. Proton decay and nuclear dynamics

    SciTech Connect

    Alvioli, M.; Strikman, M.; Benhar, O.; Ericson, M.

    2010-04-15

    The kinematics of the decay of a bound proton is governed by the proton spectral function. We evaluate this quantity in {sup 16}O using the information from nuclear physics experiments. It also includes a correlated part. The reliability of this evaluation is sufficient to open the possibility of correlated cuts in the missing mass and momentum variables to identify the decay events from the bound protons with a possible increase of the signal-to-noise ratio.

  4. Dynamics of a nuclear invasion

    NASA Astrophysics Data System (ADS)

    Roper, Marcus; Simonin, Anna; Glass, N. Louise

    2009-11-01

    Filamentous fungi grow as a network of continuous interconnected tubes, containing nuclei that move freely through a shared cytoplasm. Wild fungi are frequently chimerical: two nuclei from the same physiological individual may be genetically different. Such internal diversity can arise either from spontaneous mutations during nuclear division, or by nuclear exchange when two individuals fuse, sharing their resources and organelles to become a single individual. This diversity is thought to be essential to adaptation in plant pathogens, allowing, for instance, an invading fungus to present many different genetic identities against its host's immune response. However, it is clear that the presence of multiple genetic lineages within the same physiological individual can also pose challenges - lineages that are present in growing hyphal tips will multiply preferentially. Nuclei must therefore be kept well mixed across a growing front. By applying models developed to describe mixing of fluids in microfluidic reactors to experimental observations of lineage mixing in a growing Neurospora crassa colony, we show how this mixing is achieved. In particular we analyze the individual contributions from interdigitation of hyphae and from nuclear transport.

  5. Nuclear quantum dynamics in dense hydrogen

    PubMed Central

    Kang, Dongdong; Sun, Huayang; Dai, Jiayu; Chen, Wenbo; Zhao, Zengxiu; Hou, Yong; Zeng, Jiaolong; Yuan, Jianmin

    2014-01-01

    Nuclear dynamics in dense hydrogen, which is determined by the key physics of large-angle scattering or many-body collisions between particles, is crucial for the dynamics of planet's evolution and hydrodynamical processes in inertial confinement confusion. Here, using improved ab initio path-integral molecular dynamics simulations, we investigated the nuclear quantum dynamics regarding transport behaviors of dense hydrogen up to the temperatures of 1 eV. With the inclusion of nuclear quantum effects (NQEs), the ionic diffusions are largely higher than the classical treatment by the magnitude from 20% to 146% as the temperature is decreased from 1 eV to 0.3 eV at 10 g/cm3, meanwhile, electrical and thermal conductivities are significantly lowered. In particular, the ionic diffusion is found much larger than that without NQEs even when both the ionic distributions are the same at 1 eV. The significant quantum delocalization of ions introduces remarkably different scattering cross section between protons compared with classical particle treatments, which explains the large difference of transport properties induced by NQEs. The Stokes-Einstein relation, Wiedemann-Franz law, and isotope effects are re-examined, showing different behaviors in nuclear quantum dynamics. PMID:24968754

  6. Cluster dynamics transcending chemical dynamics toward nuclear fusion

    PubMed Central

    Heidenreich, Andreas; Jortner, Joshua; Last, Isidore

    2006-01-01

    Ultrafast cluster dynamics encompasses femtosecond nuclear dynamics, attosecond electron dynamics, and electron-nuclear dynamics in ultraintense laser fields (peak intensities 1015–1020 W·cm−2). Extreme cluster multielectron ionization produces highly charged cluster ions, e.g., (C4+(D+)4)n and (D+I22+)n at IM = 1018 W·cm−2, that undergo Coulomb explosion (CE) with the production of high-energy (5 keV to 1 MeV) ions, which can trigger nuclear reactions in an assembly of exploding clusters. The laser intensity and the cluster size dependence of the dynamics and energetics of CE of (D2)n, (HT)n, (CD4)n, (DI)n, (CD3I)n, and (CH3I)n clusters were explored by electrostatic models and molecular dynamics simulations, quantifying energetic driving effects, and kinematic run-over effects. The optimization of table-top dd nuclear fusion driven by CE of deuterium containing heteroclusters is realized for light-heavy heteroclusters of the largest size, which allows for the prevalence of cluster vertical ionization at the highest intensity of the laser field. We demonstrate a 7-orders-of-magnitude enhancement of the yield of dd nuclear fusion driven by CE of light-heavy heteroclusters as compared with (D2)n clusters of the same size. Prospective applications for the attainment of table-top nucleosynthesis reactions, e.g., 12C(P,γ)13N driven by CE of (CH3I)n clusters, were explored. PMID:16740666

  7. Cluster dynamics transcending chemical dynamics toward nuclear fusion.

    PubMed

    Heidenreich, Andreas; Jortner, Joshua; Last, Isidore

    2006-07-11

    Ultrafast cluster dynamics encompasses femtosecond nuclear dynamics, attosecond electron dynamics, and electron-nuclear dynamics in ultraintense laser fields (peak intensities 10(15)-10(20) W.cm(-2)). Extreme cluster multielectron ionization produces highly charged cluster ions, e.g., (C(4+)(D(+))(4))(n) and (D(+)I(22+))(n) at I(M) = 10(18) W.cm(-2), that undergo Coulomb explosion (CE) with the production of high-energy (5 keV to 1 MeV) ions, which can trigger nuclear reactions in an assembly of exploding clusters. The laser intensity and the cluster size dependence of the dynamics and energetics of CE of (D(2))(n), (HT)(n), (CD(4))(n), (DI)(n), (CD(3)I)(n), and (CH(3)I)(n) clusters were explored by electrostatic models and molecular dynamics simulations, quantifying energetic driving effects, and kinematic run-over effects. The optimization of table-top dd nuclear fusion driven by CE of deuterium containing heteroclusters is realized for light-heavy heteroclusters of the largest size, which allows for the prevalence of cluster vertical ionization at the highest intensity of the laser field. We demonstrate a 7-orders-of-magnitude enhancement of the yield of dd nuclear fusion driven by CE of light-heavy heteroclusters as compared with (D(2))(n) clusters of the same size. Prospective applications for the attainment of table-top nucleosynthesis reactions, e.g., (12)C(P,gamma)(13)N driven by CE of (CH(3)I)(n) clusters, were explored. PMID:16740666

  8. Molecular dynamics calculations of nuclear stimulated desorption

    SciTech Connect

    Glikman, E.; Kelson, I. ); Doan, N.V. )

    1991-09-01

    Molecular dynamics calculations of nuclear stimulated desorption are carried out for a palladium crystal containing radioactive palladium atoms. The total desorption probability from various sites are computed, as well as the angular distribution of the desorbing atoms. The implications of the results to different experimental scenarios are discussed.

  9. Objective Assessment of Nuclear and Cortical Cataracts through Scheimpflug Images: Agreement with the LOCS III Scale

    PubMed Central

    2016-01-01

    Purpose To assess nuclear and cortical opacities through the objective analysis of Scheimpflug images, and to check the correlation with the Lens Opacity Classification System III (LOCS III). Methods Nuclear and cortical opacities were graded according to the LOCS III rules after pupil dilation. The maximum and average pixel intensity values along an elliptical mask within the lens nucleus were taken to analyse nuclear cataracts. A new metric based on the percentage of opaque pixels within a region of interest was used to analyse cortical cataracts. The percentage of opaque pixels was also calculated for half, third and quarter areas from the region of interest’s periphery. Results The maximum and average intensity values along the nucleus were directly proportional to the LOCS III grade: The larger the LOCS III value, the larger maximum and average intensity ones. These metrics showed a positive and significant correlation with the LOCS grade: The larger the LOCS grade, the higher was percentage of opaque pixels along the cortex within the same mask’s size. This metric showed a significant correlation to the LOCS grade. Conclusion The metrics used to assess nuclear opacities showed good correlation with the LOCS III. The percentage of opaque pixels showed to be a useful metric to measure objectively the severity of the cortical opacity. These metrics could be implemented in an algorithm to detect and grade lens opacities automatically and objectively. PMID:26890694

  10. Fluid dynamical description of relativistic nuclear collisions

    NASA Technical Reports Server (NTRS)

    Nix, J. R.; Strottman, D.

    1982-01-01

    On the basis of both a conventional relativistic nuclear fluid dynamic model and a two fluid generalization that takes into account the interpenetration of the target and projectile upon contact, collisions between heavy nuclei moving at relativistic speeds are calculated. This is done by solving the relevant equations of motion numerically in three spatial dimensions by use of particle in cell finite difference computing techniques. The effect of incorporating a density isomer, or quasistable state, in the nuclear equation of state at three times normal nuclear density, and the effect of doubling the nuclear compressibility coefficient are studied. For the reaction 20Ne + 238U at a laboratory bombarding energy per nucleon of 393 MeV, the calculated distributions in energy and angle of outgoing charged particles are compared with recent experimental data both integrated over all impact parameters and for nearly central collisions.

  11. Modelling studies in aqueous solution of lanthanide (III) chelates designed for nuclear magnetic resonance biomedical applications

    NASA Astrophysics Data System (ADS)

    Henriques, E. S.; Geraldes, C. F. G. C.; Ramos, M. J.

    Molecular dynamics simulations and complementary modelling studies have been carried out for the [Gd(DOTA)·(H2O)]- and [Tm(DOTP)]5- chelates in aqueous media, to provide a better understanding of several structural and dynamical properties of these versatile nuclear magnetic resonance (NMR) probes, including coordination shells and corresponding water exchange mechanisms, and interactions of these complexes with alkali metal ions. This knowledge is of key importance in the areas of 1H relaxation and shift reagents for NMR applications in medical diagnosis. A new refinement of our own previously developed set of parameters for these Ln(III) chelates has been used, and is reported here. Calculations of water mean residence times suggest a reassessment of the characterization of the chelates' second coordination shell, one where the simple spherical distribution model is discarded in favour of a more detailed approach. Na+ probe interaction maps are in good agreement with the available site location predictions derived from 23Na NMR shifts.

  12. Trends in Ln(III) Sorption to Quartz Assessed by Molecular Dynamics Simulations and Laser Induced Flourescence Studies

    SciTech Connect

    Kuta, Jadwiga; Wander, Matthew C F.; Wang, Zheming; Jiang, Siduo; Wall, Nathalie; Clark, Aurora E.

    2011-11-08

    Molecular dynamics simulations were performed to examine trends in trivalent lanthanide [Ln(III)] sorption to quartz surface SiOH0 and SiO- sites across the 4f period. Complementary laser induced fluorescence studies examined Eu(III) sorption to quartz at varying ionic strength such that the surface sorbed species could be extrapolated at zero ionic strength, the conditions under which the simulations are performed. This allowed for direct comparison of the data, enabling a molecular understanding of the surface sorbed species and the role of the ion surface charge density upon the interfacial reactivity. Thus, this combined theoretical and experimental approach aids in the prediction of the fate of trivalent radioactive contaminants at temporary and permanent nuclear waste storage sites. Potential of mean force molecular dynamics, as well as simulations of pre-sorbed Ln(III) species agrees with the spectroscopic study of Eu(III) sorption, indicating that strongly bound inner-sphere complexes are formed upon sorption to an SiO- site. The coordination shell of the ion contains 6-7 waters of hydration and it is predicted that surface OH groups dissociate from the quartz and bind within the inner coordination shell of Eu(III). Molecular simulations predict less-strongly bound inner2 sphere species in early lanthanides and more strongly bound species in late lanthanides, following trends in the ionic radius of the 4f ions. The participation of surface dissociated OHgroups within the inner coordination shell of the Ln(III) ion is, however, consistent across the series studied. Sorption to a fully protonated quartz surface is not predicted to be favorable by any Ln(III), except perhaps Lu.

  13. Conformational Dynamics of DNA Repair by Escherichia coli Endonuclease III*

    PubMed Central

    Kuznetsov, Nikita A.; Kladova, Olga A.; Kuznetsova, Alexandra A.; Ishchenko, Alexander A.; Saparbaev, Murat K.; Zharkov, Dmitry O.; Fedorova, Olga S.

    2015-01-01

    Escherichia coli endonuclease III (Endo III or Nth) is a DNA glycosylase with a broad substrate specificity for oxidized or reduced pyrimidine bases. Endo III possesses two types of activities: N-glycosylase (hydrolysis of the N-glycosidic bond) and AP lyase (elimination of the 3′-phosphate of the AP-site). We report a pre-steady-state kinetic analysis of structural rearrangements of the DNA substrates and uncleavable ligands during their interaction with Endo III. Oligonucleotide duplexes containing 5,6-dihydrouracil, a natural abasic site, its tetrahydrofuran analog, and undamaged duplexes carried fluorescent DNA base analogs 2-aminopurine and 1,3-diaza-2-oxophenoxazine as environment-sensitive reporter groups. The results suggest that Endo III induces several fast sequential conformational changes in DNA during binding, lesion recognition, and adjustment to a catalytically competent conformation. A comparison of two fluorophores allowed us to distinguish between the events occurring in the damaged and undamaged DNA strand. Combining our data with the available structures of Endo III, we conclude that this glycosylase uses a multistep mechanism of damage recognition, which likely involves Gln41 and Leu81 as DNA lesion sensors. PMID:25869130

  14. Nuclear quests for supernova dynamics and nucleosynthesis

    SciTech Connect

    Langanke, K.; Martinez-Pinedo, G.

    2011-10-28

    Nuclear physics plays a crucial role in various aspects of core collapse supernovae. The collapse dynamics is strongly influenced by electron captures. Using modern many-body theory improved capture rates have been derived recently with the important result that the process is dominated by capture on nuclei until neutrino trapping is achieved. Following the core bounce the ejected matter is the site of interesting nucleosynthesis. The early ejecta are proton-rich and give rise to the recently discovered {nu}p-process. Later ejecta might be neutron-rich and can be one site of the r-process. The manuscript discusses recent progress in describing nuclear input relevant for the supernova dynamics and nucleosynthesis.

  15. Nuclear dynamical diffraction using synchrotron radiation

    SciTech Connect

    Brown, D.E.

    1993-05-01

    The scattering of synchrotron radiation by nuclei is extensively explored in this thesis. From the multipole electric field expansion resulting from time-dependent nonrelativistic perturbation theory, a dynamical scattering theory is constructed. This theory is shown, in the many particle limit, to be equivalent to the semi-classical approach where a quantum mechanical scattering amplitude is used in the Maxwell inhomogeneous wave equation. The Moessbauer specimen whose low-lying energy levels were probed is a ferromagnetic lattice of {sup 57}Fe embedded in a yttrium iron garnet (YIG) crystal matrix. The hyperfine fields in YIG thin films were studied at low and room temperature using time-resolved quantum beat spectroscopy. Nuclear hyperfine structure quantum beats were measured using a fast plastic scintillator coincidence photodetector and associated electronics having a time resolution of 2.5 nsec. The variation of the quantum beat patterns near the Bragg [0 0 2] diffraction peak gave a Lamb-Moessbauer factor of 8.2{plus_minus}0.4. Exploring characteristic dynamical features in the higher order YIG [0 0 10] reflection revealed that one of the YIG crystals had bifurcated into two different layers. The dynamics of nuclear superradiance was explored. This phenomenon includes the radiative speedup exhibited by a collective state of particles, and, in striking concurrence, resonance frequency shifts. A speedup of a factor of 4 in the total decay rate and a beat frequency shift of 1{1/2} natural resonance linewidths were observed. Nuclear resonance scattering was also found to be a useful way of performing angular interferometry experiments, and it was used to observe the phase shift of a rotated quantum state. On the whole, nuclear dynamical diffraction theory has superbly explained many of the fascinating features of resonant magnetic dipole radiation scattered by a lattice of nuclei.

  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. Ultrafast electronic dynamics driven by nuclear motion

    NASA Astrophysics Data System (ADS)

    Vendrell, Oriol

    2016-05-01

    The transfer of electrical charge on a microscopic scale plays a fundamental role in chemistry, in biology, and in technological applications. In this contribution, we will discuss situations in which nuclear motion plays a central role in driving the electronic dynamics of photo-excited or photo-ionized molecular systems. In particular, we will explore theoretically the ultrafast transfer of a double electron hole between the functional groups of glycine after K-shell ionization and subsequent Auger decay. Although a large energy gap of about 15 eV initially exists between the two electronic states involved and coherent electronic dynamics play no role in the hole transfer, we will illustrate how the double hole can be transferred within 3 to 4 fs between both functional ends of the glycine molecule driven solely by specific nuclear displacements and non-Born-Oppenheimer effects. This finding challenges the common wisdom that nuclear dynamics of the molecular skeleton are unimportant for charge transfer processes at the few-femtosecond time scale and shows that they can even play a prominent role. We thank the Hamburg Centre for Ultrafast Imaging and the Volkswagen Foundation for financial support.

  18. Surveillance of nuclear pore complex assembly by ESCRT-III/Vps4

    PubMed Central

    Webster, Brant M.; Colombi, Paolo; Jäger, Jens; Lusk, C. Patrick

    2014-01-01

    SUMMARY The maintenance of nuclear compartmentalization by the nuclear envelope and nuclear pore complexes (NPCs) is essential for cell function; loss of compartmentalization is associated with cancers, laminopathies and aging. We uncovered a pathway that surveils NPC assembly intermediates to promote the formation of functional NPCs. Surveillance is mediated by Heh2, a member of the LEM (Lap2-emerin-MAN1) family of integral inner nuclear membrane proteins, which binds to an early NPC assembly intermediate, but not to mature NPCs. Heh2 recruits the Endosomal Sorting Complex Required for Transport (ESCRT) – III subunit Snf7 and the AAA-ATPase Vps4 to destabilize and clear defective NPC assembly intermediates. When surveillance or clearance is compromised, malformed NPCs accumulate in a Storage of Improperly assembled Nuclear Pore Complexes compartment, or SINC. The SINC is retained in old mothers to prevent loss of daughter lifespan, highlighting a continuum of mechanisms to ensure nuclear compartmentalization. PMID:25303532

  19. Fully dynamical simulation of central nuclear collisions.

    PubMed

    van der Schee, Wilke; Romatschke, Paul; Pratt, Scott

    2013-11-27

    We present a fully dynamical simulation of central nuclear collisions around midrapidity at LHC energies. Unlike previous treatments, we simulate all phases of the collision, including the equilibration of the system. For the simulation, we use numerical relativity solutions to anti-de Sitter space/conformal field theory for the preequilibrium stage, viscous hydrodynamics for the plasma equilibrium stage, and kinetic theory for the low-density hadronic stage. Our preequilibrium stage provides initial conditions for hydrodynamics, resulting in sizable radial flow. The resulting light particle spectra reproduce the measurements from the ALICE experiment at all transverse momenta. PMID:24329444

  20. [Fundamental bases of digital information processing in nuclear cardiology (III)].

    PubMed

    Cuarón, A; González, C; García Moreira, C

    1984-01-01

    This article describes the transformation of the gamma-camera images into digital form. The incidence of a gamma photon on the detector, produces two voltage pulses, which are proportional to the coordinates of the incidence points, and a digital pulse, indicative of the occurrence of the event. The coordinate pulses passes through a analog-digital converter, that is activated by the pulse. The result is the appearance of a digital number at the out-put of the converter, which is proportional to the voltage at its in-put. This number, is stored on the accumulation memory of the system, either on a list mode or on a matrix mode. Static images can be stored on a single matrix. Dynamic data can be stored on a series of matrixes, each representing a different period of acquisition. It is also possible to capture information on a series of matrixes syncronized with the electrocardiogram of the patient. In this instance, each matrix represents a distinct period of the cardiac cycle. Data stored on the memory, can be used to process and display images and quantitative histograms on a video screen. In order to do that, it is necessary to translate the digital data on the memory to voltage levels, and to transform these on light levels on the screen. This, is achieved through a digital analog converter. The reading of the digital memory must be syncronic with the electronic scanning of the video screen. PMID:6466002

  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. Dynamic, gated and high resolution imaging with the ECAT III

    SciTech Connect

    Hoffman, E.J.; Phelps, M.E.; Huang, S.; Collard, P.E.; Bidaut, L.M.; Schwab, R.L.; Ricci, A.R.

    1986-02-01

    The ECAT III was designed primarily with a view towards imaging the heart. The gantry both rotates about the vertical axis and tilts about the horizontal axis to allow the optimum imaging angle of the heart. The patient opening is 65 cm in diameter to allow these motions. The system allows six TTL inputs to allow the user to insert additional information into the data stream (i.e. R wave gate from EKG, respiratory gate, signal start of injection, time of blood sample, etc.). The 512 narrow detectors (5.6 mm) per ring and their close packing (.5 mm) in conjunction with the natural spatial resolution limits of annihilation coincidence detection allow the system to image without the requirement of a scanning motion. This eliminates the problem of artefacts caused by inconsistent data due to asynchrony between the scanning motion of a PET system and the cardiac and/or the respiratory cycle. In this work, the authors present initial experience with the ECAT III in imaging phantoms, animals and man.

  3. Dynamics of Nuclear Regions of Galaxies

    NASA Technical Reports Server (NTRS)

    Miller, Richard H.

    1996-01-01

    Current research carried out with the help of the ASEE-NASA Summer Faculty Program, at NASA-Ames, is concentrated on the dynamics of nuclear regions of galaxies. From a dynamical point of view a galaxy is a collection of around 10(sup 11) stars like our Sun, each of which moves in the summed gravitational field of all the remaining stars. Thus galaxy dynamics becomes a self-consistent n-body problem with forces given by Newtonian gravitation. Strong nonlinearity in the gravitational force and the inherent nonlinearity of self-consistent problems both argue for a numerical approach. The technique of numerical experiments consis of constructing an environment in the computer that is as close as possible to the physical conditions in a real galaxy and then carrying out experiments much like laboratory experiments in physics or engineering, in this environment. Computationally, an experiment is an initial value problem, and a good deal of thought and effort goes into the design of the starting conditions that serve as initial values. Experiments are run at Ames because all the 'equipment' is in place-the programs, the necessary computational power, and good facilities for post-run analysis. Our goal for this research program is to study the nuclear regions in detail and this means replacing most of the galaxy by a suitable boundary condition to allow the full capability of numerical experiments to be brought to bear on a small region perhaps 1/1000 of the linear dimensions of an entire galaxy. This is an extremely delicate numerical problem, one in which some small feature overlook, can easily lead to a collapse or blow-up of the entire system. All particles attract each other in gravitational problems, and the 1/r(sup 2) force is: (1) nonlinear; (2) strong at short range; (3) long-range, and (4) unscreened at any distance.

  4. In vitro photoacoustic sensing of calcium dynamics with arsenazo III

    NASA Astrophysics Data System (ADS)

    Dana, N.; Fowler, R. A.; Allen, A.; Zoldan, J.; Suggs, L.; Emelianov, S.

    2016-07-01

    Imaging of cellular electric potential via calcium-ion sensitive contrast agents is a useful tool, but current techniques lack sufficient depth penetration. We explore contrast-enhanced photoacoustic (PA) imaging, using Arsenazo III dye, to visualize cardiac myocyte depolarization in vitro. Phantom results show strong linearity of PA signal with dye concentration (R 2  >  0.95), and agree spectrally with extinction measurements with varying calcium concentration. Cell studies indicate a significant (>100-fold) increase in PA signal for dye-treated cells, as well as a 10-fold increase in peak-to-peak variation during a 30 s window. This suggests contrast-enhanced PA imaging may have sufficient sensitivity and specificity for depth-resolved visualization of tissue depolarization in real-time.

  5. Heterometallic Cu(II)-Dy(III) Clusters of Different Nuclearities with Slow Magnetic Relaxation.

    PubMed

    Modak, Ritwik; Sikdar, Yeasin; Cosquer, Goulven; Chatterjee, Sudipta; Yamashita, Masahiro; Goswami, Sanchita

    2016-01-19

    The synthesis, structures, and magnetic properties of two heterometallic Cu(II)-Dy(III) clusters are reported. The first structural motif displays a pentanuclear Cu(II)4Dy(III) core, while the second one reveals a nonanuclear Cu(II)6Dy(III)3 core. We employed o-vanillin-based Schiff base ligands combining o-vanillin with 3-amino-1-propanol, H2vap, (2-[(3-hydroxy-propylimino)-methyl]-6-methoxy-phenol), and 2-aminoethanol, H2vae, (2-[(3-hydroxy-ethylimino)-methyl]-6-methoxy-phenol). The differing nuclearities of the two clusters stem from the choice of imino alcohol arm in the Schiff bases, H2vap and H2vae. This work is aimed at broadening the diversity of Cu(II)-Dy(III) clusters and to perceive the consequence of changing the length of the alcohol arm on the nuclearity of the cluster, providing valuable insight into promising future synthetic directions. The underlying topological entity of the pentanuclear Cu4Dy cluster is reported for the first time. The investigation of magnetic behaviors of 1 and 2 below 2 K reveals slow magnetic relaxation with a significant influence coming from the variation of the alcohol arm affecting the nature of magnetic interactions. PMID:26702645

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. The effect of ligand dynamics on heme electronic transition band III in myoglobin.

    PubMed

    Nienhaus, Karin; Lamb, Don C; Deng, Pengchi; Nienhaus, G Ulrich

    2002-02-01

    Band III is a near-infrared electronic transition at ~13,000 cm(-1) in heme proteins that has been studied extensively as a marker of protein conformational relaxation after photodissociation of the heme-bound ligand. To examine the influence of the heme pocket structure and ligand dynamics on band III, we have studied carbon monoxide recombination in a variety of myoglobin mutants after photolysis at 3 K using Fourier transform infrared temperature-derivative spectroscopy with monitoring in three spectral ranges, (1) band III, the mid-infrared region of (2) the heme-bound CO, and (3) the photodissociated CO. Here we present data on mutant myoglobins V68F and L29W, which both exhibit pronounced ligand movements at low temperature. From spectral and kinetic analyses in the mid-infrared, a small number of photoproduct populations can be distinguished, differing in their distal heme pocket conformations and/or CO locations. We have decomposed band III into its individual photoproduct contributions. Each photoproduct state exhibits a different "kinetic hole-burning" (KHB) effect, a coupling of the activation enthalpy for rebinding to the position of band III. The analysis reveals that the heme pocket structure and the photodissociated CO markedly affect the band III transition. A strong kinetic hole-burning effect results only when the CO ligand resides in the docking site on top of the heme group. Migration of CO away from the heme group leads to an overall blue shift of band III. Consequently, band III can be used as a sensitive tool to study ligand dynamics after photodissociation in heme proteins. PMID:11806945

  11. 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.

  12. 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

  13. Investigation of Containment Flooding Strategy for Mark-III Nuclear Power Plant with MAAP4

    SciTech Connect

    Su Weinian; Wang, S.-J.; Chiang, S.-C

    2005-06-15

    Containment flooding is an important strategy for severe accident management of a conventional boiling water reactor (BWR) system. The purpose of this work is to investigate the containment flooding strategy of the Mark-III system after a reactor pressure vessel (RPV) breach. The Kuosheng Power Plant is a typical BWR-6 nuclear power plant (NPP) with Mark-III containment. The Severe Accident Management Guideline (SAMG) of the Kuosheng NPP has been developed based on the BWR Owners Group (BWROG) Emergency Procedure and Severe Accident Guidelines, Rev. 2. Therefore, the Kuosheng NPP is selected as the plant for study, and the MAAP4 code is chosen as the tool for analysis. A postulated specific station blackout sequence for the Kuosheng NPP is cited as a reference case for this analysis. Because of the design features of Mark-III containment, the debris in the reactor cavity may not be submerged after an RPV breach when one follows the containment flooding strategy as suggested in the BWROG generic guideline, and the containment integrity could be challenged eventually. A more specific containment flooding strategy with drywell venting after an RPV breach is investigated, and a more stable plant condition is achieved with this strategy. Accordingly, the containment flooding strategy after an RPV breach will be modified for the Kuosheng SAMG, and these results are applicable to typical Mark-III plants with drywell vent path.

  14. 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

  15. Nuclear Magnetic Resonance Characterization of the Type III Secretion System Tip Chaperone Protein PcrG of Pseudomonas aeruginosa.

    PubMed

    Chaudhury, Sukanya; Nordhues, Bryce A; Kaur, Kawaljit; Zhang, Na; De Guzman, Roberto N

    2015-11-01

    Lung infection with Pseudomonas aeruginosa is the leading cause of death among cystic fibrosis patients. To initiate infection, P. aeruginosa assembles a protein nanomachine, the type III secretion system (T3SS), to inject bacterial proteins directly into target host cells. An important regulator of the P. aeruginosa T3SS is the chaperone protein PcrG, which forms a complex with the tip protein, PcrV. In addition to its role as a chaperone to the tip protein, PcrG also regulates protein secretion. PcrG homologues are also important in the T3SS of other pathogens such as Yersinia pestis, the causative agent of bubonic plague. The atomic structure of PcrG or any member of the family of tip protein chaperones is currently unknown. Here, we show by circular dichroism and nuclear magnetic resonance (NMR) spectroscopy that PcrG lacks a tertiary structure. However, it is not completely disordered but contains secondary structures dominated by two long α-helices from residue 16 to 41 and from residue 55 to 76. The helices of PcrG are partially formed, have similar backbone dynamics, and are flexible. NMR titrations show that the entire length of PcrG residues from position 9 to 76 is involved in binding to PcrV. PcrG adds to the growing list of partially folded or unstructured proteins with important roles in type III secretion. PMID:26451841

  16. BOLD VENTURE COMPUTATION SYSTEM for nuclear reactor core analysis, Version III

    SciTech Connect

    Vondy, D.R.; Fowler, T.B.; Cunningham, G.W. III.

    1981-06-01

    This report is a condensed documentation for VERSION III of the BOLD VENTURE COMPUTATION SYSTEM for nuclear reactor core analysis. An experienced analyst should be able to use this system routinely for solving problems by referring to this document. Individual reports must be referenced for details. This report covers basic input instructions and describes recent extensions to the modules as well as to the interface data file specifications. Some application considerations are discussed and an elaborate sample problem is used as an instruction aid. Instructions for creating the system on IBM computers are also given.

  17. Lutetium(iii) aqua ion: On the dynamical structure of the heaviest lanthanoid hydration complex

    NASA Astrophysics Data System (ADS)

    Sessa, Francesco; Spezia, Riccardo; D'Angelo, Paola

    2016-05-01

    The structure and dynamics of the lutetium(iii) ion in aqueous solution have been investigated by means of a polarizable force field molecular dynamics (MD). An 8-fold square antiprism (SAP) geometry has been found to be the dominant configuration of the lutetium(iii) aqua ion. Nevertheless, a low percentage of 9-fold complexes arranged in a tricapped trigonal prism (TTP) geometry has been also detected. Dynamic properties have been explored by carrying out six independent MD simulations for each of four different temperatures: 277 K, 298 K, 423 K, 632 K. The mean residence time of water molecules in the first hydration shell at room temperature has been found to increase as compared to the central elements of the lanthanoid series in agreement with previous experimental findings. Water exchange kinetic rate constants at each temperature and activation parameters of the process have been determined from the MD simulations. The obtained structural and dynamical results suggest that the water exchange process for the lutetium(iii) aqua ion proceeds with an associative mechanism, in which the SAP hydration complex undergoes temporary structural changes passing through a 9-fold TTP intermediate. Such results are consistent with the water exchange mechanism proposed for heavy lanthanoid atoms.

  18. Lutetium(iii) aqua ion: On the dynamical structure of the heaviest lanthanoid hydration complex.

    PubMed

    Sessa, Francesco; Spezia, Riccardo; D'Angelo, Paola

    2016-05-28

    The structure and dynamics of the lutetium(iii) ion in aqueous solution have been investigated by means of a polarizable force field molecular dynamics (MD). An 8-fold square antiprism (SAP) geometry has been found to be the dominant configuration of the lutetium(iii) aqua ion. Nevertheless, a low percentage of 9-fold complexes arranged in a tricapped trigonal prism (TTP) geometry has been also detected. Dynamic properties have been explored by carrying out six independent MD simulations for each of four different temperatures: 277 K, 298 K, 423 K, 632 K. The mean residence time of water molecules in the first hydration shell at room temperature has been found to increase as compared to the central elements of the lanthanoid series in agreement with previous experimental findings. Water exchange kinetic rate constants at each temperature and activation parameters of the process have been determined from the MD simulations. The obtained structural and dynamical results suggest that the water exchange process for the lutetium(iii) aqua ion proceeds with an associative mechanism, in which the SAP hydration complex undergoes temporary structural changes passing through a 9-fold TTP intermediate. Such results are consistent with the water exchange mechanism proposed for heavy lanthanoid atoms. PMID:27250314

  19. 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

  20. 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.

  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. Measurements of nuclear spin dynamics by spin-noise spectroscopy

    SciTech Connect

    Ryzhov, I. I.; Poltavtsev, S. V.; Kozlov, G. G.; Zapasskii, V. S.; Kavokin, K. V.; Glazov, M. M.; Vladimirova, M.; Scalbert, D.; Cronenberger, S.; Lemaître, A.; Bloch, J.

    2015-06-15

    We exploit the potential of the spin noise spectroscopy (SNS) for studies of nuclear spin dynamics in n-GaAs. The SNS experiments were performed on bulk n-type GaAs layers embedded into a high-finesse microcavity at negative detuning. In our experiments, nuclear spin polarisation initially prepared by optical pumping is monitored in real time via a shift of the peak position in the electron spin noise spectrum. We demonstrate that this shift is a direct measure of the Overhauser field acting on the electron spin. The dynamics of nuclear spin is shown to be strongly dependent on the electron concentration.

  3. Neutron detection of the Triga Mark III reactor, using nuclear track methodology

    SciTech Connect

    Espinosa, G. Golzarri, J. I.; Raya-Arredondo, R.; Cruz-Galindo, S.; Sajo-Bohus, L.

    2015-07-23

    Nuclear Track Methodology (NTM), based on the neutron-proton interaction is one often employed alternative for neutron detection. In this paper we apply NTM to determine the Triga Mark III reactor operating power and neutron flux. The facility nuclear core, loaded with 85 Highly Enriched Uranium as fuel with control rods in a demineralized water pool, provide a neutron flux around 2 × 10{sup 12} n cm{sup −2} s{sup −1}, at the irradiation channel TO-2. The neutron field is measured at this channel, using Landauer{sup ®} PADC as neutron detection material, covered by 3 mm Plexiglas{sup ®} as converter. After exposure, plastic detectors were chemically etched to make observable the formed latent tracks induced by proton recoils. The track density was determined by a custom made Digital Image Analysis System. The resulting average nuclear track density shows a direct proportionality response for reactor power in the range 0.1-7 kW. We indicate several advantages of the technique including the possibility to calibrate the neutron flux density measured at low reactor power.

  4. Neutron detection of the Triga Mark III reactor, using nuclear track methodology

    NASA Astrophysics Data System (ADS)

    Espinosa, G.; Golzarri, J. I.; Raya-Arredondo, R.; Cruz-Galindo, S.; Sajo-Bohus, L.

    2015-07-01

    Nuclear Track Methodology (NTM), based on the neutron-proton interaction is one often employed alternative for neutron detection. In this paper we apply NTM to determine the Triga Mark III reactor operating power and neutron flux. The facility nuclear core, loaded with 85 Highly Enriched Uranium as fuel with control rods in a demineralized water pool, provide a neutron flux around 2 × 1012 n cm-2 s-1, at the irradiation channel TO-2. The neutron field is measured at this channel, using Landauer® PADC as neutron detection material, covered by 3 mm Plexiglas® as converter. After exposure, plastic detectors were chemically etched to make observable the formed latent tracks induced by proton recoils. The track density was determined by a custom made Digital Image Analysis System. The resulting average nuclear track density shows a direct proportionality response for reactor power in the range 0.1-7 kW. We indicate several advantages of the technique including the possibility to calibrate the neutron flux density measured at low reactor power.

  5. Partial Dynamical Symmetry in Nuclear Systems

    SciTech Connect

    Escher, J E

    2003-06-02

    Partial dynamical symmetry (PDS) extends and complements the concepts of exact and dynamical symmetry. It allows one to remove undesired constraints from an algebraic theory, while preserving some of the useful aspects of a dynamical symmetry, and to study the effects of symmetry breaking in a controlled manner. An example of a PDS in an interacting fermion system is presented. The associated PDS Hamiltonians are closely related with a realistic quadrupole-quadrupole interaction and provide new insights into this important interaction.

  6. Mitochondrial Dynamics Tracking with Two-Photon Phosphorescent Terpyridyl Iridium(III) Complexes.

    PubMed

    Huang, Huaiyi; Zhang, Pingyu; Qiu, Kangqiang; Huang, Juanjuan; Chen, Yu; Ji, Liangnian; Chao, Hui

    2016-01-01

    Mitochondrial dynamics, including fission and fusion, control the morphology and function of mitochondria, and disruption of mitochondrial dynamics leads to Parkinson's disease, Alzheimer's disease, metabolic diseases, and cancers. Currently, many types of commercial mitochondria probes are available, but high excitation energy and low photo-stability render them unsuitable for tracking mitochondrial dynamics in living cells. Therefore, mitochondrial targeting agents that exhibit superior anti-photo-bleaching ability, deep tissue penetration and intrinsically high three-dimensional resolutions are urgently needed. Two-photon-excited compounds that use low-energy near-infrared excitation lasers have emerged as non-invasive tools for cell imaging. In this work, terpyridyl cyclometalated Ir(III) complexes (Ir1-Ir3) are demonstrated as one- and two-photon phosphorescent probes for real-time imaging and tracking of mitochondrial morphology changes in living cells. PMID:26864567

  7. Mitochondrial Dynamics Tracking with Two-Photon Phosphorescent Terpyridyl Iridium(III) Complexes

    PubMed Central

    Huang, Huaiyi; Zhang, Pingyu; Qiu, Kangqiang; Huang, Juanjuan; Chen, Yu; Ji, Liangnian; Chao, Hui

    2016-01-01

    Mitochondrial dynamics, including fission and fusion, control the morphology and function of mitochondria, and disruption of mitochondrial dynamics leads to Parkinson’s disease, Alzheimer’s disease, metabolic diseases, and cancers. Currently, many types of commercial mitochondria probes are available, but high excitation energy and low photo-stability render them unsuitable for tracking mitochondrial dynamics in living cells. Therefore, mitochondrial targeting agents that exhibit superior anti-photo-bleaching ability, deep tissue penetration and intrinsically high three-dimensional resolutions are urgently needed. Two-photon-excited compounds that use low-energy near-infrared excitation lasers have emerged as non-invasive tools for cell imaging. In this work, terpyridyl cyclometalated Ir(III) complexes (Ir1-Ir3) are demonstrated as one- and two-photon phosphorescent probes for real-time imaging and tracking of mitochondrial morphology changes in living cells. PMID:26864567

  8. Mitochondrial Dynamics Tracking with Two-Photon Phosphorescent Terpyridyl Iridium(III) Complexes

    NASA Astrophysics Data System (ADS)

    Huang, Huaiyi; Zhang, Pingyu; Qiu, Kangqiang; Huang, Juanjuan; Chen, Yu; Ji, Liangnian; Chao, Hui

    2016-02-01

    Mitochondrial dynamics, including fission and fusion, control the morphology and function of mitochondria, and disruption of mitochondrial dynamics leads to Parkinson’s disease, Alzheimer’s disease, metabolic diseases, and cancers. Currently, many types of commercial mitochondria probes are available, but high excitation energy and low photo-stability render them unsuitable for tracking mitochondrial dynamics in living cells. Therefore, mitochondrial targeting agents that exhibit superior anti-photo-bleaching ability, deep tissue penetration and intrinsically high three-dimensional resolutions are urgently needed. Two-photon-excited compounds that use low-energy near-infrared excitation lasers have emerged as non-invasive tools for cell imaging. In this work, terpyridyl cyclometalated Ir(III) complexes (Ir1-Ir3) are demonstrated as one- and two-photon phosphorescent probes for real-time imaging and tracking of mitochondrial morphology changes in living cells.

  9. Investigation of germination and aging in Moravian III barley grain by nuclear magnetic resonance.

    PubMed Central

    Ridenour, C F; Xiong, J; Maciel, G E

    1996-01-01

    High-resolution, solid-state 1H nuclear magnetic resonance (NMR) techniques are used for the first time to study germination in imbibed Moravian III barley grains. Whereas magic-angle spinning 1H NMR spectra reveal the water and lipid components in barley grains, combined rotation and multiple-pulse spectroscopy techniques provide 1H NMR spectra of grains that reveal the protein and carbohydrate as well as the water and lipid components. Spectra of grains are compared with spectra of model compounds to verify assignments. 1H T1 and T2 measurements using magic-angle spinning only and combined rotation and multiple-pulse spectroscopy techniques provide information about molecular mobility within the grains during inhibition. Some grains were subjected to artificial aging conditions. 1H NMR spectral comparisons are made between normal, viable grains and artificially aged grains. PMID:8770229

  10. Linking Microbial Dynamics and Physicochemical Processes in High-temperature Acidic Fe(III)- Mineralizing Systems

    NASA Astrophysics Data System (ADS)

    Inskeep, W.

    2014-12-01

    Microbial activity is responsible for the mineralization of Fe(III)-oxides in high-temperature chemotrophic communities that flourish within oxygenated zones of low pH (2.5 - 4) geothermal outflow channels (Yellowstone National Park, WY). High-temperature Fe(II)-oxidizing communities contain several lineages of Archaea, and are excellent model systems for studying microbial interactions and spatiotemporal dynamics across geochemical gradients. We hypothesize that acidic Fe(III)-oxide mats form as a result of constant interaction among primary colonizers including Hydrogenobaculum spp. (Aquificales) and Metallosphaera spp. (Sulfolobales), and subsequent colonization by archaeal heterotrophs, which vary in abundance as a function of oxygen, pH and temperature. We are integrating a complementary suite of geochemical, stable isotope, genomic, proteomic and modeling analyses to study the role of microorganisms in Fe(III)-oxide mat development, and to elucidate the primary microbial interactions that are coupled with key abiotic events. Curated de novo assemblies of major phylotypes are being used to analyze additional -omics datasets from these microbial mats. Hydrogenobaculum spp. (Aquificales) are the dominant bacterial population(s) present, and predominate during early mat development (< 30 d). Other Sulfolobales populations known to oxidize Fe(II) and fix carbon dioxide (e.g., Metallosphaera spp.) represent a secondary stage of mat development (e.g., 14 - 30 d). Hydrogenobaculum filaments appear to promote the nucleation and subsequent mineralization of Fe(III)-oxides, which likely affect the growth and turnover rates of these organisms. Other heterotrophs colonize Fe(III)-oxide mats during succession (> 30 d), including novel lineages of Archaea and representatives within the Crenarchaeota, Euryarchaeota, Thaumarchaeota and Nanoarchaeota. In situ oxygen consumption rates show that steep gradients occur within the top 1 mm of mat surface, and which correlate with

  11. 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.

  12. Nuclear dynamics in the Wigner representation

    SciTech Connect

    Bonasera, A.; Kondratyev, V.N.; Smerzi, A.; Remler, E.A. Dipartimento di Fisica dell' Universita di Catania, 57, Corso Italia, 95129 Catania Institute for Nuclear Research, 47, Pr. Nauki, Kiev, 252 028 Department of Physics, The College of William Mary, Williamsburg, Virginia 23185 )

    1993-07-26

    The quantum equation of motion of the density operator in the Wigner representation is solved using a stochastic approach. Nuclear ground states and an asymmetric nucleus-nucleus collision below the Coulomb barrier are studied. Quantum effects are shown to cause significant differences in comparison to results obtained from the classical Vlasov equation.

  13. Dynamics of Anisotropic Bianchi Type-III Bulk Viscous String Model with Magnetic Field

    NASA Astrophysics Data System (ADS)

    Singh, M. K.; Ram, Shri

    2014-07-01

    In this paper, we discuss the dynamics of spatially homogeneous and anisotropic Bianchi type-III string cosmological model in presence of bulk viscous fluid and electromagnetic field. Exact solutions of Einstein's field equations are obtained by assuming (i) a special form of the deceleration parameter and (ii) the component of the shear scalar tensor is proportional to mean Hubble parameter. The source of magnetic field is due to an electric current produced along z-axis. The role of bulk viscosity and magnetic field in establishing string phase of universe is presented. The physical and kinematical features of solutions are also discussed in detail.

  14. Electro-Nuclear clock transitions in a Ho(III) moleular nanomagnet

    NASA Astrophysics Data System (ADS)

    Komijani, Dorsa; Shiddiq, M.; Duan, Y.; Gaita-Arino, A.; Coronado, E.; Hill, S.

    One of the challenges in the field of quantum information processing involves protecting qubits against decoherence. The primary source of decoherence in spin qubits at low temperatures is the dipolar interaction, which can be minimized using so-called clock transitions. Here, we report pulsed EPR studies of the Holmium Polyoxometalate, [Na]9 [ HoxY1 - x(W5O18)2 ] , where we observe electro-nuclear clock transitions that involve coupled dynamics of the electron and nuclear spins (ΔmJ = +/- 8 and ΔmI = +/- 1). These transitions are formally forbidden in EPR. However, the symmetry of this molecule generates admixtures of the ground doublet (mJ = +/- 4) through second order perturbation, and application of a transverse magnetic field mixes mI and mI +/- 1 states, allowing such transitions to occur in the vicinity of avoided level crossings. Pulsed EPR measurements on an x = 0.1 sample, were carried out at a temperature of 5 K at X-band. These experiments suggest an enhancement in the coherence time at these electro-nuclear clock transitions which is significant for applications in hybrid magnetic qubits, where manipulation of the nuclear spin is controlled by EPR pulses. This work was supported by the NSF (DMR-1309463) and AFOSR.

  15. Triga Mark III Reactor Operating Power and Neutron Flux Study by Nuclear Track Methodology

    NASA Astrophysics Data System (ADS)

    Espinosa, G.; Golzarri, J. I.; Raya-Arredondo, R.; Cruz-Galindo, S.; Sajo-Bohus, L.

    The operating power of a TRIGA Mark III reactor was studied using Nuclear Track Methodology (NTM). The facility has a Highly Enriched Uranium core that provides a neutron flux of around 2 x 1012 n cm-2 s-1 in the TO-2 irradiation channel. The detectors consisted of a Landauer® CR-39 (allyl diglycol polycarbonate) chip covered with a 3 mm Plexiglas® converter. After irradiation, the detectors were chemically etched in a 6.25M-KOH solution at 60±1 °C for 6 h. Track density was determined by a custom-made Digital Image Analysis System. The results show a direct proportionality between reactor power and average nuclear track density for powers in the range 0.1-7 kW. Data reproducibility and relatively low uncertainty (±3%) were achieved. NTM is a simple, fast and reliable technique that can serve as a complementary procedure to measure reactor operating power. It offers the possibility of calibrating the neutron flux density in any low power reactor.

  16. Dynamics of fragment formation in the nuclear spinodal region

    SciTech Connect

    Baldo, M.; Burgio, G.F.; Rapisarda, A. )

    1995-01-01

    The Vlasov-Nordheim equation is solved numerically on a lattice for nuclear matter in two dimensions. We discuss the reliability of the model at normal density and then study the response of the system to small perturbations. We find deterministic chaos inside the spinodal zone where fragment formation occurs. We discuss in detail the dynamical features of this phenomenon in order to clarify the mechanisms leading to nuclear disassembly in heavy-ion collisions.

  17. Fluctuations and symmetry energy in nuclear fragmentation dynamics.

    PubMed

    Colonna, M

    2013-01-25

    Within a dynamical description of nuclear fragmentation, based on the liquid-gas phase transition scenario, we explore the relation between neutron-proton density fluctuations and nuclear symmetry energy. We show that, along the fragmentation path, isovector fluctuations follow the evolution of the local density and approach an equilibrium value connected to the local symmetry energy. Higher-density regions are characterized by smaller average asymmetry and narrower isotopic distributions. This dynamical analysis points out that fragment final state isospin fluctuations can probe the symmetry energy of the density domains from which fragments originate. PMID:25166159

  18. Nuclear Reactions and Stellar Evolution: Unified Dynamics

    SciTech Connect

    Bauer, W.; Strother, T.

    2007-10-26

    Motivated by the success of kinetic theory in the description of observables in intermediate and high energy heavy ion collisions, we use kinetic theory to model the dynamics of collapsing iron cores in type II supernova explosions. The algorithms employed to model the collapse, some preliminary results and predictions, and the future of the code are discussed.

  19. Dynamic Systems Analysis Report for Nuclear Fuel Recycle

    SciTech Connect

    Brent Dixon; Sonny Kim; David Shropshire; Steven Piet; Gretchen Matthern; Bill Halsey

    2008-12-01

    This report examines the time-dependent dynamics of transitioning from the current United States (U.S.) nuclear fuel cycle where used nuclear fuel is disposed in a repository to a closed fuel cycle where the used fuel is recycled and only fission products and waste are disposed. The report is intended to help inform policy developers, decision makers, and program managers of system-level options and constraints as they guide the formulation and implementation of advanced fuel cycle development and demonstration efforts and move toward deployment of nuclear fuel recycling infrastructure.

  20. Real-time tracking mitochondrial dynamic remodeling with two-photon phosphorescent iridium (III) complexes.

    PubMed

    Huang, Huaiyi; Yang, Liang; Zhang, Pingyu; Qiu, Kangqiang; Huang, Juanjuan; Chen, Yu; Diao, JiaJie; Liu, Jiankang; Ji, Liangnian; Long, Jiangang; Chao, Hui

    2016-03-01

    Mitochondrial fission and fusion control the shape, size, number, and function of mitochondria in the cells of organisms from yeast to mammals. The disruption of mitochondrial fission and fusion is involved in severe human diseases such as Parkinson's disease, Alzheimer's disease, metabolic diseases, and cancers. Agents that can real-time track the mitochondrial dynamics are of great importance. However, the short excitation wavelengths and rapidly photo-bleaching properties of commercial mitochondrial dyes render them unsuitable for tracking mitochondrial dynamics. Thus, mitochondrial targeting agents that exhibit superior photo-stability under continual light irradiation, deep tissue penetration and at intrinsically high three-dimensional resolutions are urgently needed. Two-photon-excited compounds employ low-energy near-infrared light and have emerged as a non-invasive tool for real-time cell imaging. Here, cyclometalated Ir(III) complexes (Ir1-Ir5) are demonstrated as one- and two-photon phosphorescent probes for the real-time imaging and tracking of mitochondrial fission and fusion. The results indicate that Ir2 is well suited for two-photon phosphorescent tracking of mitochondrial fission and fusion in living cells and in Caenorhabditis elegans (C. elegans). This study provides a practical use for mitochondrial targeting two-photon phosphorescent Ir(III) complexes. PMID:26796044

  1. Nuclear dynamics in a fungal chimera.

    PubMed

    Roper, Marcus; Simonin, Anna; Hickey, Patrick C; Leeder, Abby; Glass, N Louise

    2013-08-01

    A fungal colony is a syncytium composed of a branched and interconnected network of cells. Chimerism endows colonies with increased virulence and ability to exploit nutritionally complex substrates. Moreover, chimera formation may be a driver for diversification at the species level by allowing lateral gene transfer between strains that are too distantly related to hybridize sexually. However, the processes by which genomic diversity develops and is maintained within a single colony are little understood. In particular, both theory and experiments show that genetically diverse colonies may be unstable and spontaneously segregate into genetically homogenous sectors. By directly measuring patterns of nuclear movement in the model ascomycete fungus Neurospora crassa, we show that genetic diversity is maintained by complex mixing flows of nuclei at all length scales within the hyphal network. Mathematical modeling and experiments in a morphological mutant reveal some of the exquisite hydraulic engineering necessary to create the mixing flows. In addition to illuminating multinucleate and multigenomic lifestyles, the adaptation of a hyphal network for mixing nuclear material provides a previously unexamined organizing principle for understanding morphological diversity in the more-than-a-million species of filamentous fungi. PMID:23861490

  2. Dynamics of the Type III Secretion System Activity of Enteropathogenic Escherichia coli

    PubMed Central

    Mills, Erez; Baruch, Kobi; Aviv, Gili; Nitzan, Mor; Rosenshine, Ilan

    2013-01-01

    ABSTRACT Type III secretion systems (TTSSs) are employed by pathogens to translocate host cells with effector proteins, which are crucial for virulence. The dynamics of effector translocation, behavior of the translocating bacteria, translocation temporal order, and relative amounts of each of the translocated effectors are all poorly characterized. To address these issues, we developed a microscopy-based assay that tracks effector translocation. We used this assay alongside a previously described real-time population-based translocation assay, focusing mainly on enteropathogenic Escherichia coli (EPEC) and partly comparing it to Salmonella. We found that the two pathogens exhibit different translocation behaviors: in EPEC, a subpopulation that formed microcolonies carried out most of the translocation activity, while Salmonella executed protein translocation as planktonic bacteria. We also noted variability in host cell susceptibility, with some cells highly resistant to translocation. We next extended the study to determine the translocation dynamics of twenty EPEC effectors and found that all exhibited distinct levels of translocation efficiency. Further, we mapped the global effects of key TTSS-related components on TTSS activity. Our results provide a comprehensive description of the dynamics of the TTSS activity of EPEC and new insights into the mechanisms that control the dynamics. PMID:23900171

  3. Redshift evolution of the dynamical properties of massive galaxies from SDSS-III/BOSS

    SciTech Connect

    Beifiori, Alessandra; Saglia, Roberto P.; Bender, Ralf; Senger, Robert; Thomas, Daniel; Maraston, Claudia; Steele, Oliver; Masters, Karen L.; Pforr, Janine; Tojeiro, Rita; Johansson, Jonas; Nichol, Robert C.; Chen, Yan-Mei; Wake, David; Bolton, Adam; Brownstein, Joel R.; Leauthaud, Alexie; Schneider, Donald P.; Skibba, Ramin; Pan, Kaike; and others

    2014-07-10

    We study the redshift evolution of the dynamical properties of ∼180, 000 massive galaxies from SDSS-III/BOSS combined with a local early-type galaxy sample from SDSS-II in the redshift range 0.1 ≤ z ≤ 0.6. The typical stellar mass of this sample is M{sub *} ∼2 × 10{sup 11} M{sub ☉}. We analyze the evolution of the galaxy parameters effective radius, stellar velocity dispersion, and the dynamical to stellar mass ratio with redshift. As the effective radii of BOSS galaxies at these redshifts are not well resolved in the Sloan Digital Sky Survey (SDSS) imaging we calibrate the SDSS size measurements with Hubble Space Telescope/COSMOS photometry for a sub-sample of galaxies. We further apply a correction for progenitor bias to build a sample which consists of a coeval, passively evolving population. Systematic errors due to size correction and the calculation of dynamical mass are assessed through Monte Carlo simulations. At fixed stellar or dynamical mass, we find moderate evolution in galaxy size and stellar velocity dispersion, in agreement with previous studies. We show that this results in a decrease of the dynamical to stellar mass ratio with redshift at >2σ significance. By combining our sample with high-redshift literature data, we find that this evolution of the dynamical to stellar mass ratio continues beyond z ∼ 0.7 up to z > 2 as M{sub dyn}/M{sub *} ∼(1 + z){sup –0.30±0.12}, further strengthening the evidence for an increase of M{sub dyn}/M{sub *} with cosmic time. This result is in line with recent predictions from galaxy formation simulations based on minor merger driven mass growth, in which the dark matter fraction within the half-light radius increases with cosmic time.

  4. Molecular interferometer to decode attosecond electron-nuclear dynamics.

    PubMed

    Palacios, Alicia; González-Castrillo, Alberto; Martín, Fernando

    2014-03-18

    Understanding the coupled electronic and nuclear dynamics in molecules by using pump-probe schemes requires not only the use of short enough laser pulses but also wavelengths and intensities that do not modify the intrinsic behavior of the system. In this respect, extreme UV pulses of few-femtosecond and attosecond durations have been recognized as the ideal tool because their short wavelengths ensure a negligible distortion of the molecular potential. In this work, we propose the use of two twin extreme UV pulses to create a molecular interferometer from direct and sequential two-photon ionization processes that leave the molecule in the same final state. We theoretically demonstrate that such a scheme allows for a complete identification of both electronic and nuclear phases in the wave packet generated by the pump pulse. We also show that although total ionization yields reveal entangled electronic and nuclear dynamics in the bound states, doubly differential yields (differential in both electronic and nuclear energies) exhibit in addition the dynamics of autoionization, i.e., of electron correlation in the ionization continuum. Visualization of such dynamics is possible by varying the time delay between the pump and the probe pulses. PMID:24591647

  5. Electron spin decoherence in nuclear spin baths and dynamical decoupling

    SciTech Connect

    Zhao, N.; Yang, W.; Ho, S. W.; Hu, J. L.; Wan, J. T. K.; Liu, R. B.

    2011-12-23

    We introduce the quantum theory of the electron spin decoherence in a nuclear spin bath and the dynamical decoupling approach for protecting the electron spin coherence. These theories are applied to various solid-state systems, such as radical spins in molecular crystals and NV centers in diamond.

  6. Molecular interferometer to decode attosecond electron–nuclear dynamics

    PubMed Central

    Palacios, Alicia; González-Castrillo, Alberto; Martín, Fernando

    2014-01-01

    Understanding the coupled electronic and nuclear dynamics in molecules by using pump–probe schemes requires not only the use of short enough laser pulses but also wavelengths and intensities that do not modify the intrinsic behavior of the system. In this respect, extreme UV pulses of few-femtosecond and attosecond durations have been recognized as the ideal tool because their short wavelengths ensure a negligible distortion of the molecular potential. In this work, we propose the use of two twin extreme UV pulses to create a molecular interferometer from direct and sequential two-photon ionization processes that leave the molecule in the same final state. We theoretically demonstrate that such a scheme allows for a complete identification of both electronic and nuclear phases in the wave packet generated by the pump pulse. We also show that although total ionization yields reveal entangled electronic and nuclear dynamics in the bound states, doubly differential yields (differential in both electronic and nuclear energies) exhibit in addition the dynamics of autoionization, i.e., of electron correlation in the ionization continuum. Visualization of such dynamics is possible by varying the time delay between the pump and the probe pulses. PMID:24591647

  7. Controlling the Excited-State Dynamics of Nuclear Spin Isomers Using the Dynamic Stark Effect.

    PubMed

    Waldl, Maria; Oppel, Markus; González, Leticia

    2016-07-14

    Stark control of chemical reactions uses intense laser pulses to distort the potential energy surfaces of a molecule, thus opening new chemical pathways. We use the concept of Stark shifts to convert a local minimum into a local maximum of the potential energy surface, triggering constructive and destructive wave-packet interferences, which then induce different dynamics on nuclear spin isomers in the electronically excited state of a quinodimethane derivative. Model quantum-dynamical simulations on reduced dimensionality using optimized ultrashort laser pulses demonstrate a difference of the excited-state dynamics of two sets of nuclear spin isomers, which ultimately can be used to discriminate between these isomers. PMID:26840424

  8. Dynamic Simulation and Optimization of Nuclear Hydrogen Production Systems

    SciTech Connect

    Paul I. Barton; Mujid S. Kaximi; Georgios Bollas; Patricio Ramirez Munoz

    2009-07-31

    This project is part of a research effort to design a hydrogen plant and its interface with a nuclear reactor. This project developed a dynamic modeling, simulation and optimization environment for nuclear hydrogen production systems. A hybrid discrete/continuous model captures both the continuous dynamics of the nuclear plant, the hydrogen plant, and their interface, along with discrete events such as major upsets. This hybrid model makes us of accurate thermodynamic sub-models for the description of phase and reaction equilibria in the thermochemical reactor. Use of the detailed thermodynamic models will allow researchers to examine the process in detail and have confidence in the accurary of the property package they use.

  9. PREFACE: 28th Winter Workshop on Nuclear Dynamics (WWND-28)

    NASA Astrophysics Data System (ADS)

    Bellwied, Rene; Pruneau, Claude A.

    2012-11-01

    These are the proceedings of the 28th Winter Workshop on Nuclear Dynamics, which was held in Dorado Del Mar, Puerto Rico. As in previous years the unique character of this conference series has allowed us to bring together nuclear scientists from very different fields to discuss recent progress and scientific achievements. At the high-energy frontier very exciting results from heavy-ion collisions at the LHC were shown. At the lower energies the RHIC beam energy scan is underway to span the gap between the SPS and RHIC and search for the QCD phase transition and critical phenomena in the nuclear matter phase diagram. The nuclear structure and astrophysics communities have started to construct dedicated facilities at Michigan State University (F-RIB) and the GSI in Germany (FAIR). Theory progress is made across all these different energy regimes, and the new data, in particular from the LHC and RHIC, are motivating more detailed modeling and a deeper understanding of the underlying physics. These proceedings of the 28th Winter Workshop on Nuclear Dynamics again provide a snapshot of the status of the field. The articles, many of which are written by some of the most promising young scientists in the field, are documenting the excitement and achievements that are characteristic for all subfields of nuclear science. Rene Bellwied (University of Houston) Claude Pruneau (Wayne State University)

  10. Nuclear gene mutations as the cause of mitochondrial complex III deficiency

    PubMed Central

    Fernández-Vizarra, Erika; Zeviani, Massimo

    2015-01-01

    Complex III (CIII) deficiency is one of the least common oxidative phosphorylation defects associated to mitochondrial disease. CIII constitutes the center of the mitochondrial respiratory chain, as well as a crossroad for several other metabolic pathways. For more than 10 years, of all the potential candidate genes encoding structural subunits and assembly factors, only three were known to be associated to CIII defects in human pathology. Thus, leaving many of these cases unresolved. These first identified genes were MT-CYB, the only CIII subunit encoded in the mitochondrial DNA; BCS1L, encoding an assembly factor, and UQCRB, a nuclear-encoded structural subunit. Nowadays, thanks to the fast progress that has taken place in the last 3–4 years, pathological changes in seven more genes are known to be associated to these conditions. This review will focus on the strategies that have permitted the latest discovery of mutations in factors that are necessary for a correct CIII assembly and activity, in relation with their function. In addition, new data further establishing the molecular role of LYRM7/MZM1L as a chaperone involved in CIII biogenesis are provided. PMID:25914718

  11. Dynamical structure of solar radio burst type III as evidence of energy of solar flares

    NASA Astrophysics Data System (ADS)

    Hamidi, Zety Sharizat Binti

    2013-11-01

    Observations of low frequency solar type III radio bursts associated with the ejection of plasma oscillations localized disturbance is due to excitation atoms in the plasma frequency incoherent radiations play a dominant role at the meter and decimeter wavelengths. Here, we report the results of the dynamical structure of solar flare type III that occurred on 9th March 2012 at National Space Centre, Sg Lang, Selangor, Malaysia by using the CALLISTO system. These bursts are associated with solar flare type M6 which suddenly ejected in the active region AR 1429 starting at 03:32 UT and ending at 05:00 UT with the peak at 04:12 UT. The observation showed an initial strong burst occurred due to strong signal at the beginning of the phase. We also found that both solar burst and flares tend to be a numerous on the same day and probability of chance coincidence is high. It is clearly seen that an impulsive lace burst was detected at 4:24 UT and it is more plausible that the energies are confined to the top of the loop when we compared with X-ray results. Associated with this event was type II with velocities 1285 km/s and type IV radio sweeps along with a full halo Coronal Mass Ejections (CMEs) first seen in SOHO/LASCO C2 imagery at 09/0426 Z. We concluded that the significance of study solar burst type III lies in the fact that the emission at decimetric wavelength comes from the role of magnetic field in active region that may provide the key to the energy release mechanism in a flare.

  12. Alpha and gamma radioysis of nuclear solvent etxraction ligands used for An(III) and Ln(III) Separations

    SciTech Connect

    Stephen P. Mezyk; Bruce J. Mincher; Christian Ekberg; Gunnar Skarnemark

    2013-05-01

    The separation of the minor actinides from dissolved nuclear fuel remains a major challenge in developing large-scale waste separations processes. One important criterion is that all these processes must be robust under high acidity and radiation dose conditions. Here we have investigated the TRUEX ligand CMPO in dodecane, comparing the effects of gamma (60Co) with alpha irradiation using isotopic alpha sources (244Cm, 211At) experiments. The radiolytically-based CMPO decomposition efficiencies are approximately the same for both types of radiolysis, with the overall decomposition being significantly less when this formulation is irradiated in contact with aqueous acid.

  13. Relaxation Dynamics and Magnetic Anisotropy in a Low-Symmetry Dy(III) Complex.

    PubMed

    Lucaccini, Eva; Briganti, Matteo; Perfetti, Mauro; Vendier, Laure; Costes, Jean-Pierre; Totti, Federico; Sessoli, Roberta; Sorace, Lorenzo

    2016-04-11

    The magnetic behaviour of a Dy(LH)3 complex (LH(-) is the anion of 2-hydroxy-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]benzhydrazide) was analysed in depth from both theoretical and experimental points of view. Cantilever torque magnetometry indicated that the complex has Ising-type anisotropy, and provided two possible directions for the easy axis of anisotropy due to the presence of two magnetically non-equivalent molecules in the crystal. Ab initio calculations confirmed the strong Ising-type anisotropy and disentangled the two possible orientations. The computed results obtained by using ab initio calculations were then used to rationalise the composite dynamic behaviour observed for both pure Dy(III) phase and Y(III) diluted phase, which showed two different relaxation channels in zero and non-zero static magnetic fields. In particular, we showed that the relaxation behaviour at the higher temperature range can be correctly reproduced by using a master matrix approach, which suggests that Orbach relaxation is occurring through a second excited doublet. PMID:26960531

  14. Optically induced dynamic nuclear spin polarisation in diamond

    NASA Astrophysics Data System (ADS)

    Scheuer, Jochen; Schwartz, Ilai; Chen, Qiong; Schulze-Sünninghausen, David; Carl, Patrick; Höfer, Peter; Retzker, Alexander; Sumiya, Hitoshi; Isoya, Junichi; Luy, Burkhard; Plenio, Martin B.; Naydenov, Boris; Jelezko, Fedor

    2016-01-01

    The sensitivity of magnetic resonance imaging (MRI) depends strongly on nuclear spin polarisation and, motivated by this observation, dynamical nuclear spin polarisation has recently been applied to enhance MRI protocols (Kurhanewicz et al 2011 Neoplasia 13 81). Nuclear spins associated with the 13C carbon isotope (nuclear spin I = 1/2) in diamond possess uniquely long spin lattice relaxation times (Reynhardt and High 2011 Prog. Nucl. Magn. Reson. Spectrosc. 38 37). If they are present in diamond nanocrystals, especially when strongly polarised, they form a promising contrast agent for MRI. Current schemes for achieving nuclear polarisation, however, require cryogenic temperatures. Here we demonstrate an efficient scheme that realises optically induced 13C nuclear spin hyperpolarisation in diamond at room temperature and low ambient magnetic field. Optical pumping of a nitrogen-vacancy centre creates a continuously renewable electron spin polarisation which can be transferred to surrounding 13C nuclear spins. Importantly for future applications we also realise polarisation protocols that are robust against an unknown misalignment between magnetic field and crystal axis.

  15. MarsSedEx III: linking Computational Fluid Dynamics (CFD) and reduced gravity experiments

    NASA Astrophysics Data System (ADS)

    Kuhn, Nikolaus J.; Kuhn, Brigitte; Gartmann, Andres

    2015-04-01

    Experiments conducted during the MarsSedEx I and II reduced gravity experiments showed that using empirical models for sediment transport developed on Earth violates fluid dynamics. The error is caused by the interaction between runing water and sediment particles, which affect each other in a positive feedback loop. As a consequence, the actual flow conditions around a particle cannot be represented by drag coefficients derived on Earth. This study exmines the implications of the gravity effects on sediment movement on Mars, with special emphasis on the limits of sandstones and conglomerates fromed on Earth as analogues for sedimentation on Mars. Furthermore, options for correctiong the errors using a combination of CFD and recent experiments conducted during the MarsSedEx III campaign are presented.

  16. Dynamic observation of phase transformation behaviors in indium(III) selenide nanowire based phase change memory.

    PubMed

    Huang, Yu-Ting; Huang, Chun-Wei; Chen, Jui-Yuan; Ting, Yi-Hsin; Lu, Kuo-Chang; Chueh, Yu-Lun; Wu, Wen-Wei

    2014-09-23

    Phase change random access memory (PCRAM) has been extensively investigated for its potential applications in next-generation nonvolatile memory. In this study, indium(III) selenide (In2Se3) was selected due to its high resistivity ratio and lower programming current. Au/In2Se3-nanowire/Au phase change memory devices were fabricated and measured systematically in an in situ transmission electron microscope to perform a RESET/SET process under pulsed and dc voltage swept mode, respectively. During the switching, we observed the dynamic evolution of the phase transformation process. The switching behavior resulted from crystalline/amorphous change and revealed that a long pulse width would induce the amorphous or polycrystalline state by different pulse amplitudes, supporting the improvement of the writing speed, retention, and endurance of PCRAM. PMID:25133955

  17. Molecular chaperone-mediated nuclear protein dynamics.

    PubMed

    Echtenkamp, Frank J; Freeman, Brian C

    2014-05-01

    Homeostasis requires effective action of numerous biological pathways including those working along a genome. The variety of processes functioning in the nucleus is considerable, yet the number of employed factors eclipses this total. Ideally, individual components assemble into distinct complexes and serially operate along a pathway to perform work. Adding to the complexity is a multitude of fluctuating internal and external signals that must be monitored to initiate, continue or halt individual activities. While cooperative interactions between proteins of the same process provide a mechanism for rapid and precise assembly, the inherent stability of such organized structures interferes with the proper timing of biological events. Further prolonging the longevity of biological complexes are crowding effects resulting from the high concentration of intracellular macromolecules. Hence, accessory proteins are required to destabilize the various assemblies to efficiently transition between structures, avoid off-pathway competitive interactions, and to terminate pathway activity. We suggest that molecular chaperones have evolved, in part, to manage these challenges by fostering a general and continuous dynamic protein environment within the nucleus. PMID:24694369

  18. Parvovirus Induced Alterations in Nuclear Architecture and Dynamics

    PubMed Central

    Ihalainen, Teemu O.; Niskanen, Einari A.; Jylhävä, Juulia; Paloheimo, Outi; Dross, Nicolas; Smolander, Hanna; Langowski, Jörg; Timonen, Jussi; Vihinen-Ranta, Maija

    2009-01-01

    The nucleus of interphase eukaryotic cell is a highly compartmentalized structure containing the three-dimensional network of chromatin and numerous proteinaceous subcompartments. DNA viruses induce profound changes in the intranuclear structures of their host cells. We are applying a combination of confocal imaging including photobleaching microscopy and computational methods to analyze the modifications of nuclear architecture and dynamics in parvovirus infected cells. Upon canine parvovirus infection, expansion of the viral replication compartment is accompanied by chromatin marginalization to the vicinity of the nuclear membrane. Dextran microinjection and fluorescence recovery after photobleaching (FRAP) studies revealed the homogeneity of this compartment. Markedly, in spite of increase in viral DNA content of the nucleus, a significant increase in the protein mobility was observed in infected compared to non-infected cells. Moreover, analyzis of the dynamics of photoactivable capsid protein demonstrated rapid intranuclear dynamics of viral capsids. Finally, quantitative FRAP and cellular modelling were used to determine the duration of viral genome replication. Altogether, our findings indicate that parvoviruses modify the nuclear structure and dynamics extensively. Intranuclear crowding of viral components leads to enlargement of the interchromosomal domain and to chromatin marginalization via depletion attraction. In conclusion, parvoviruses provide a useful model system for understanding the mechanisms of virus-induced intranuclear modifications. PMID:19536327

  19. Theory of damped quantum rotation in nuclear magnetic resonance spectra. III. Nuclear permutation symmetry of the line shape equation.

    PubMed

    Szymański, S

    2009-12-28

    The damped quantum rotation (DQR) theory describes manifestations in nuclear magnetic resonance spectra of the coherent and stochastic dynamics of N-fold molecular rotors composed of indistinguishable particles. The standard jump model is only a limiting case of the DQR approach; outside this limit, the stochastic motions of such rotors have no kinematic description. In this paper, completing the previous two of this series, consequences of nuclear permutation symmetry for the properties of the DQR line shape equation are considered. The systems addressed are planar rotors, such as aromatic hydrocarbons' rings, occurring inside of molecular crystals oriented in the magnetic field. Under such conditions, oddfold rotors can have nontrivial permutation symmetries only for peculiar orientations while evenfold ones always retain their intrinsic symmetry element, which is rotation by 180 degrees about the N-fold axis; in specific orientations the latter can gain two additional symmetry elements. It is shown that the symmetry selection rules applicable to the classical rate processes in fluids, once recognized as having two diverse aspects, macroscopic and microscopic, are also rigorously valid for the DQR processes in the solid state. However, formal justification of these rules is different because the DQR equation is based on the Pauli principle, which is ignored in the jump model. For objects like the benzene ring, exploitation of these rules in simulations of spectra using the DQR equation can be of critical significance for the feasibility of the calculations. Examples of such calculations for the proton system of the benzene ring in a general orientation are provided. It is also shown that, because of the intrinsic symmetries of the evenfold rotors, many of the DQR processes, which such rotors can undergo, are unobservable in NMR spectra. PMID:20059076

  20. Robust dynamical decoupling sequences for individual-nuclear-spin addressing

    NASA Astrophysics Data System (ADS)

    Casanova, J.; Wang, Z.-Y.; Haase, J. F.; Plenio, M. B.

    2015-10-01

    We propose the use of non-equally-spaced decoupling pulses for high-resolution selective addressing of nuclear spins by a quantum sensor. The analytical model of the basic operating principle is supplemented by detailed numerical studies that demonstrate the high degree of selectivity and the robustness against static and dynamic control-field errors of this scheme. We exemplify our protocol with a nitrogen-vacancy-center-based sensor to demonstrate that it enables the identification of individual nuclear spins that form part of a large spin ensemble.

  1. SINC, a type III secreted protein of Chlamydia psittaci, targets the inner nuclear membrane of infected cells and uninfected neighbors

    PubMed Central

    Mojica, Sergio A.; Hovis, Kelley M.; Frieman, Matthew B.; Tran, Bao; Hsia, Ru-ching; Ravel, Jacques; Jenkins-Houk, Clifton; Wilson, Katherine L.; Bavoil, Patrik M.

    2015-01-01

    SINC, a new type III secreted protein of the avian and human pathogen Chlamydia psittaci, uniquely targets the nuclear envelope of C. psittaci–infected cells and uninfected neighboring cells. Digitonin-permeabilization studies of SINC-GFP–transfected HeLa cells indicate that SINC targets the inner nuclear membrane. SINC localization at the nuclear envelope was blocked by importazole, confirming SINC import into the nucleus. Candidate partners were identified by proximity to biotin ligase-fused SINC in HEK293 cells and mass spectrometry (BioID). This strategy identified 22 candidates with high confidence, including the nucleoporin ELYS, lamin B1, and four proteins (emerin, MAN1, LAP1, and LBR) of the inner nuclear membrane, suggesting that SINC interacts with host proteins that control nuclear structure, signaling, chromatin organization, and gene silencing. GFP-SINC association with the native LEM-domain protein emerin, a conserved component of nuclear “lamina” structure, or with a complex containing emerin was confirmed by GFP pull down. Our findings identify SINC as a novel bacterial protein that targets the nuclear envelope with the capability of globally altering nuclear envelope functions in the infected host cell and neighboring uninfected cells. These properties may contribute to the aggressive virulence of C. psittaci. PMID:25788290

  2. Hanford spent nuclear fuel project recommended path forward, volume III: Alternatives and path forward evaluation supporting documentation

    SciTech Connect

    Fulton, J.C.

    1994-10-01

    Volume I of the Hanford Spent Nuclear Fuel Project - Recommended Path Forward constitutes an aggressive series of projects to construct and operate systems and facilities to safely retrieve, package, transport, process, and store K Basins fuel and sludge. Volume II provided a comparative evaluation of four Alternatives for the Path Forward and an evaluation for the Recommended Path Forward. Although Volume II contained extensive appendices, six supporting documents have been compiled in Volume III to provide additional background for Volume II.

  3. 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.

  4. Tensor-optimized antisymmetrized molecular dynamics in nuclear physics

    NASA Astrophysics Data System (ADS)

    Myo, Takayuki; Toki, Hiroshi; Ikeda, Kiyomi; Horiuchi, Hisashi; Suhara, Tadahiro

    2015-07-01

    We develop a new formalism to treat nuclear many-body systems using the bare nucleon-nucleon interaction. It has become evident that the tensor interaction plays an important role in nuclear many-body systems due to the role of the pion in strongly interacting systems. We take the antisymmetrized molecular dynamics (AMD) as a basic framework and add a tensor correlation operator acting on the AMD wave function using the concept of the tensor-optimized shell model. We demonstrate a systematical and straightforward formulation utilizing the Gaussian integration and differentiation method and the antisymmetrization technique to calculate all the matrix elements of the many-body Hamiltonian. We can include the three-body interaction naturally and calculate the matrix elements systematically in the progressive order of the tensor correlation operator. We call the new formalism "tensor-optimized antisymmetrized molecular dynamics".

  5. A dynamical systems model for nuclear power plant risk

    NASA Astrophysics Data System (ADS)

    Hess, Stephen Michael

    The recent transition to an open access generation marketplace has forced nuclear plant operators to become much more cost conscious and focused on plant performance. Coincidentally, the regulatory perspective also is in a state of transition from a command and control framework to one that is risk-informed and performance-based. Due to these structural changes in the economics and regulatory system associated with commercial nuclear power plant operation, there is an increased need for plant management to explicitly manage nuclear safety risk. Application of probabilistic risk assessment techniques to model plant hardware has provided a significant contribution to understanding the potential initiating events and equipment failures that can lead to core damage accidents. Application of the lessons learned from these analyses has supported improved plant operation and safety over the previous decade. However, this analytical approach has not been nearly as successful in addressing the impact of plant processes and management effectiveness on the risks of plant operation. Thus, the research described in this dissertation presents a different approach to address this issue. Here we propose a dynamical model that describes the interaction of important plant processes among themselves and their overall impact on nuclear safety risk. We first provide a review of the techniques that are applied in a conventional probabilistic risk assessment of commercially operating nuclear power plants and summarize the typical results obtained. The limitations of the conventional approach and the status of research previously performed to address these limitations also are presented. Next, we present the case for the application of an alternative approach using dynamical systems theory. This includes a discussion of previous applications of dynamical models to study other important socio-economic issues. Next, we review the analytical techniques that are applicable to analysis of

  6. Stochastic Mean-Field Dynamics For Nuclear Collisions

    SciTech Connect

    Ayik, Sakir

    2008-11-11

    We discuss a stochastic approach to improve description of nuclear dynamics beyond the mean-field approximation at low energies. For small amplitude fluctuations, this approach gives a result for the dispersion of a one-body observable that is identical to the result obtained previously through a variational approach. Furthermore, it incorporates one-body dissipation and fluctuation mechanisms in accordance with quantal fluctuation-dissipation relation.

  7. 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

  8. Molecular Dynamics of Nuclear Pasta in Neutron Stars

    NASA Astrophysics Data System (ADS)

    Briggs, Christian; da Silva Schneider, Andre

    2014-09-01

    During a core collapse supernova, a massive star undergoes rapid contraction followed by a massive explosion on the order of a hundred trillion trillion nuclear bombs in less than a second. While most matter is expelled at high speeds, what remains can form a neutron star. The bulk of a neutron star does not contain separate nuclei but is itself a single nucleus of radius ~10 km. In the crust of a neutron star, density is low enough that some matter exists as distinct nuclei arranged into crystalline lattice dominated by electromagnetic forces. Between the crust and core lies an interesting interface where matter is neither a single nucleus nor separate nuclei. It exists in a frustrated phase; competition between electromagnetic and strong nuclear forces causes exotic shapes to emerge, referred to as nuclear pasta. We use Molecular Dynamics (MD) to simulate nuclear pasta, with densities between nuclear saturation density and approximately one-tenth saturation density. Using MD particle trajectories, we compute the static structure factor S(q) and dynamical response function to describe both electron-pasta and neutrino-pasta scattering. We relate the structure and properties of nuclear pasta phases to features in S(q). Finally, one can integrate over S(q) to determine transport properties such as the electrical and thermal conductivity. This may help provide a better understanding of X-ray observations of neutron stars. During a core collapse supernova, a massive star undergoes rapid contraction followed by a massive explosion on the order of a hundred trillion trillion nuclear bombs in less than a second. While most matter is expelled at high speeds, what remains can form a neutron star. The bulk of a neutron star does not contain separate nuclei but is itself a single nucleus of radius ~10 km. In the crust of a neutron star, density is low enough that some matter exists as distinct nuclei arranged into crystalline lattice dominated by electromagnetic forces

  9. Dynamic testing of nuclear power plant structures: an evaluation

    SciTech Connect

    Weaver, H.J.

    1980-02-01

    Lawrence Livermore Laboratory (LLL) evaluated the applications of system identification techniques to the dynamic testing of nuclear power plant structures and subsystems. These experimental techniques involve exciting a structure and measuring, digitizing, and processing the time-history motions that result. The data can be compared to parameters calculated using finite element or other models of the test systems to validate the model and to verify the seismic analysis. This report summarizes work in three main areas: (1) analytical qualification of a set of computer programs developed at LLL to extract model parameters from the time histories; (2) examination of the feasibility of safely exciting nuclear power plant structures and accurately recording the resulting time-history motions; (3) study of how the model parameters that are extracted from the data be used best to evaluate structural integrity and analyze nuclear power plants.

  10. Nuclear proton dynamics and interactions with calcium signaling.

    PubMed

    Hulikova, Alzbeta; Swietach, Pawel

    2016-07-01

    Biochemical signals acting on the nucleus can regulate gene expression. Despite the inherent affinity of nucleic acids and nuclear proteins (e.g. transcription factors) for protons, little is known about the mechanisms that regulate nuclear pH (pHnuc), and how these could be exploited to control gene expression. Here, we show that pHnuc dynamics can be imaged using the DNA-binding dye Hoechst 33342. Nuclear pores allow the passage of medium-sized molecules (calcein), but protons must first bind to mobile buffers in order to gain access to the nucleoplasm. Fixed buffering residing in the nucleus of permeabilized cells was estimated to be very weak on the basis of the large amplitude of pHnuc transients evoked by photolytic H(+)-uncaging or exposure to weak acids/bases. Consequently, the majority of nuclear pH buffering is sourced from the cytoplasm in the form of mobile buffers. Effective proton diffusion was faster in nucleoplasm than in cytoplasm, in agreement with the higher mobile-to-fixed buffering ratio in the nucleus. Cardiac myocyte pHnuc changed in response to maneuvers that alter nuclear Ca(2+) signals. Blocking Ca(2+) release from inositol-1,4,5-trisphosphate receptors stably alkalinized the nucleus. This Ca(2+)-pH interaction may arise from competitive binding to common chemical moieties. Competitive binding to mobile buffers may couple the efflux of Ca(2+)via nuclear pores with a counterflux of protons. This would generate a stable pH gradient between cytoplasm and nucleus that is sensitive to the state of nuclear Ca(2+) signaling. The unusual behavior of protons in the nucleus provides new mechanisms for regulating cardiac nuclear biology. PMID:26183898

  11. Thulium(III) and ytterbium(III) in aqueous solution ab initio quantum mechanical charge field molecular dynamics studies

    NASA Astrophysics Data System (ADS)

    Passler, Peter P.; Rode, Bernd M.

    2015-10-01

    Hydration properties of trivalent thulium and ytterbium ions in aqueous solution are investigated via quantum mechanical charge field molecular dynamics (QMCF-MD) simulations. The QMCF-MD formalism is a special type of QM/MM simulation, where the chemically most relevant part of the system - in this case the ion with its first and second hydration shells - is treated by quantum mechanics. The mean ionsbnd O distances and the average coordination numbers of the first hydration shells are compared with experimental EXAFS data. Mean ligand residence times, vibrational frequencies and force constants were evaluated to characterise the dynamics of the systems.

  12. Spin dynamics in the negatively charged terbium (III) bis-phthalocyaninato complex.

    PubMed

    Branzoli, Francesca; Carretta, Pietro; Filibian, Marta; Zoppellaro, Giorgio; Graf, Michael J; Galan-Mascaros, Jose R; Fuhr, Olaf; Brink, Susan; Ruben, Mario

    2009-04-01

    The experimental and theoretical study of the electron spin dynamics in the anionic form of a single-ion molecule magnet (SIMM), the bis-phthalocyaninato terbium (III) molecule [Pc(2)Tb](-)[TBA](+), has been addressed by means of solid state (1)H NMR spectroscopy. The magnetic properties of the caged Tb(3+) metal center were investigated in a series of diamagnetically diluted preparations, where the excess of tetrabutylamonium bromide ([TBA]Br)(n) salt was used as diamagnetic matrix complement. We found that a high temperature activated spin dynamics characterizes the systems, which involved phonon-assisted transitions among the crystal field levels in qualitative agreements with literature results. However, the activation barriers in these processes range from 641 cm(-1) for the diamagnetically diluted samples to 584 cm(-1) for those undiluted; thus, they exhibit barriers 2-3 times larger than witnessed in earlier (230 cm(-1)) reports (e.g., Ishikawa, N.; Sugita, M.; Ishikawa, T.; Koshihara, S.; Kaizu, Y. J. Am. Chem. Soc. 2003, 125, 8694-8695). At cryogenic temperatures, fluctuations are driven by tunneling processes between the m = +6 and -6 low-energy levels. We found that the barrier Delta and the tunneling rates change from sample to sample and especially the diamagnetically diluted [Pc(2)Tb](-) molecules appear affected by the sample's magneto/thermal history. These observations emphasize that matrix arrangements around [Pc(2)Tb](-) can appreciably alter the splitting of the crystal field levels, its symmetry, and hence, the spin dynamics. Therefore, understanding how small differences in molecular surroundings (as for instance occurring by depositing on surfaces) can trigger substantial modifications in the SIMM property is of utmost importance for the effective operation of such molecules for single-molecule data storage, for example. PMID:19275145

  13. Energy cascades, excited state dynamics, and photochemistry in cob(III)alamins and ferric porphyrins.

    PubMed

    Rury, Aaron S; Wiley, Theodore E; Sension, Roseanne J

    2015-03-17

    Porphyrins and the related chlorins and corrins contain a cyclic tetrapyrrole with the ability to coordinate an active metal center and to perform a variety of functions exploiting the oxidation state, reactivity, and axial ligation of the metal center. These compounds are used in optically activated applications ranging from light harvesting and energy conversion to medical therapeutics and photodynamic therapy to molecular electronics, spintronics, optoelectronic thin films, and optomagnetics. Cobalt containing corrin rings extend the range of applications through photolytic cleavage of a unique axial carbon-cobalt bond, permitting spatiotemporal control of drug delivery. The photochemistry and photophysics of cyclic tetrapyrroles are controlled by electronic relaxation dynamics including internal conversion and intersystem crossing. Typically the electronic excitation cascades through ring centered ππ* states, ligand to metal charge transfer (LMCT) states, metal to ligand charge transfer (MLCT) states, and metal centered states. Ultrafast transient absorption spectroscopy provides a powerful tool for the investigation of the electronic state dynamics in metal containing tetrapyrroles. The UV-visible spectrum is sensitive to the oxidation state, electronic configuration, spin state, and axial ligation of the central metal atom. Ultrashort broadband white light probes spanning the range from 270 to 800 nm, combined with tunable excitation pulses, permit the detailed unravelling of the time scales involved in the electronic energy cascade. State-of-the-art theoretical calculations provide additional insight required for precise assignment of the states. In this Account, we focus on recent ultrafast transient absorption studies of ferric porphyrins and corrin containing cob(III)alamins elucidating the electronic states responsible for ultrafast energy cascades, excited state dynamics, and the resulting photoreactivity or photostability of these compounds. Iron

  14. 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.

  15. Dynamics of hot and dense nuclear and partonic matter

    SciTech Connect

    Bratkovskaya, E. L.; Cassing, W.; Linnyk, O.; Konchakovski, V. P.; Voronyuk, V.; Ozvenchuk, V.

    2012-06-15

    The dynamics of hot and dense nuclear matter is discussed from the microscopic transport point of view. The basic concepts of the Hadron-String-Dynamical transport model (HSD)-derived from Kadanoff-Baym equations in phase phase-are presented as well as 'highlights' of HSD results for different observables in heavy-ion collisions from 100 A MeV (SIS) to 21 A TeV(RHIC) energies. Furthermore, a novel extension of the HSD model for the description of the partonic phase-the Parton-Hadron-String-Dynamics (PHSD) approach-is introduced. PHSD includes a nontrivial partonic equation of state-in line with lattice QCD-as well as covariant transition rates from partonic to hadronic degrees of freedom. The sensitivity of hadronic observables to the partonic phase is demonstrated for relativistic heavy-ion collisions from the FAIR/NICA up to the RHIC energy regime.

  16. Storing entanglement of nuclear spins via Uhrig dynamical decoupling

    SciTech Connect

    Roy, Soumya Singha; Mahesh, T. S.; Agarwal, G. S.

    2011-06-15

    Stroboscopic spin flips have already been shown to prolong the coherence times of quantum systems under noisy environments. Uhrig's dynamical decoupling scheme provides an optimal sequence for a quantum system interacting with a dephasing bath. Several experimental demonstrations have already verified the efficiency of such dynamical decoupling schemes in preserving single-qubit coherences. In this work we describe the experimental study of Uhrig's dynamical decoupling in preserving two-qubit entangled states using an ensemble of spin-1/2 nuclear pairs in solution state. We find that the performance of odd-order Uhrig sequences in preserving entanglement is superior to both even-order Uhrig sequences and periodic spin-flip sequences. We also find that there exists an optimal order of the Uhrig sequence in which a singlet state can be stored at high correlation for about 30 seconds.

  17. 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

  18. 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.

  19. In Vivo Dynamics of Drosophila Nuclear Envelope Components

    PubMed Central

    Katsani, Katerina R.; Karess, Roger E.; Dostatni, Nathalie

    2008-01-01

    Nuclear pore complexes (NPCs) are multisubunit protein entities embedded into the nuclear envelope (NE). Here, we examine the in vivo dynamics of the essential Drosophila nucleoporin Nup107 and several other NE-associated proteins during NE and NPCs disassembly and reassembly that take place within each mitosis. During both the rapid mitosis of syncytial embryos and the more conventional mitosis of larval neuroblasts, Nup107 is gradually released from the NE, but it remains partially confined to the nuclear (spindle) region up to late prometaphase, in contrast to nucleoporins detected by wheat germ agglutinin and lamins. We provide evidence that in all Drosophila cells, a structure derived from the NE persists throughout metaphase and early anaphase. Finally, we examined the dynamics of the spindle checkpoint proteins Mad2 and Mad1. During mitotic exit, Mad2 and Mad1 are actively imported back from the cytoplasm into the nucleus after the NE and NPCs have reformed, but they reassociate with the NE only later in G1, concomitantly with the recruitment of the basket nucleoporin Mtor (the Drosophila orthologue of vertebrate Tpr). Surprisingly, Drosophila Nup107 shows no evidence of localization to kinetochores, despite the demonstrated importance of this association in mammalian cells. PMID:18562695

  20. MarsSedEx III: linking Computational Fluid Dynamics (CFD) and reduced gravity experiments

    NASA Astrophysics Data System (ADS)

    Kuhn, N. J.; Kuhn, B.; Gartmann, A.

    2015-12-01

    Nikolaus J. Kuhn (1), Brigitte Kuhn (1), and Andres Gartmann (2) (1) University of Basel, Physical Geography, Environmental Sciences, Basel, Switzerland (nikolaus.kuhn@unibas.ch), (2) Meteorology, Climatology, Remote Sensing, Environmental Sciences, University of Basel, Switzerland Experiments conducted during the MarsSedEx I and II reduced gravity experiments showed that using empirical models for sediment transport on Mars developed for Earth violates fluid dynamics. The error is caused by the interaction between runing water and sediment particles, which affect each other in a positive feedback loop. As a consequence, the actual flow conditions around a particle cannot be represented by drag coefficients derived on Earth. This study exmines the implications of such gravity effects on sediment movement on Mars, with special emphasis on the limits of sandstones and conglomerates formed on Earth as analogues for sedimentation on Mars. Furthermore, options for correctiong the errors using a combination of CFD and recent experiments conducted during the MarsSedEx III campaign are presented.

  1. Studies of the dynamics of nuclear clustering in human syncytiotrophoblast.

    PubMed

    Calvert, S J; Longtine, M S; Cotter, S; Jones, C J P; Sibley, C P; Aplin, J D; Nelson, D M; Heazell, A E P

    2016-06-01

    Syncytial nuclear aggregates (SNAs), clusters of nuclei in the syncytiotrophoblast of the human placenta, are increased as gestation advances and in pregnancy pathologies. The origins of increased SNAs are unclear; however, a better appreciation of the mechanism may give insight into placental ageing and factors underpinning dysfunction. We developed three models to investigate whether SNA formation results from a dynamic process of nuclear movement and to generate alternative hypotheses. SNA count and size were measured in placental explants cultured over 16 days and particles released into culture medium were quantified. Primary trophoblasts were cultured for 6 days. Explants and trophoblasts were cultured with and without cytoskeletal inhibitors. An in silico model was developed to examine the effects of modulating nuclear behaviour on clustering. In explants, neither median SNA number (108 SNA/mm(2) villous area) nor size (283 μm(2)) changed over time. Subcellular particles from conditioned culture medium showed a wide range of sizes that overlapped with those of SNAs. Nuclei in primary trophoblasts did not change position relative to other nuclei; apparent movement was associated with positional changes of the syncytial cell membrane. In both models, SNAs and nuclear clusters were stable despite pharmacological disruption of cytoskeletal activity. In silico, increased nuclear movement, adhesiveness and sites of cytotrophoblast fusion were related to nuclear clustering. The prominence of SNAs in pregnancy disorders may not result from an active process involving cytoskeleton-mediated rearrangement of syncytial nuclei. Further insights into the mechanism(s) of SNA formation will aid understanding of their increased presence in pregnancy pathologies. PMID:27002000

  2. Preliminary neutronics design of china lead-alloy cooled demonstration reactor (CLEAR-III) for nuclear waste transmutation

    SciTech Connect

    Chen, Z.; Chen, Y.; Bai, Y.; Wang, W.; Chen, Z.; Hu, L.; Long, P.

    2012-07-01

    China Lead-Alloy cooled Demonstration Reactor (CLEAR-III), which is the concept of lead-bismuth cooled accelerator driven sub-critical reactor for nuclear waste transmutation, was proposed and designed by FDS team in China. In this study, preliminary neutronics design studies have primarily focused on three important performance parameters including Transmutation Support Ratio (TSR), effective multiplication factor and blanket thermal power. The constraint parameters, such as power peaking factor and initial TRU loading, were also considered. In the specific design, uranium-free metallic dispersion fuel of (TRU-Zr)-Zr was used as one of the CLEAR-III fuel types and the ratio between MA and Pu was adjusted to maximize transmutation ratio. In addition, three different fuel zones differing in the TRU fraction of the fuel were respectively employed for this subcritical reactor, and the zone sizes and TRU fractions were determined such that the linear powers of these zones were close to each other. The neutronics calculations and analyses were performed by using Multi-Functional 4D Neutronics Simulation System named VisualBUS and nuclear data library HENDL (Hybrid Evaluated Nuclear Data Library). In the preliminary design, the maximum TSRLLMA was {approx}11 and the blanket thermal power was {approx}1000 MW when the effective multiplication factor was 0.98. The results showed that good performance of transmutation could be achieved based on the subcritical reactor loaded with uranium-free fuel. (authors)

  3. 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.

  4. Survey of Dynamic Simulation Programs for Nuclear Fuel Reprocessing

    SciTech Connect

    Troy J. Tranter; Daryl R. Haefner

    2008-06-01

    The absence of any industrial scale nuclear fuel reprocessing in the U.S. has precluded the necessary driver for developing the advanced simulation capability now prevalent in so many other industries. Modeling programs to simulate the dynamic behavior of nuclear fuel separations and processing were originally developed to support the US government’s mission of weapons production and defense fuel recovery. Consequently there has been little effort is the US devoted towards improving this specific process simulation capability during the last two or three decades. More recent work has been focused on elucidating chemical thermodynamics and developing better models of predicting equilibrium in actinide solvent extraction systems. These equilibrium models have been used to augment flowsheet development and testing primarily at laboratory scales. The development of more robust and complete process models has not kept pace with the vast improvements in computational power and user interface and is significantly behind simulation capability in other chemical processing and separation fields.

  5. 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).

  6. 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

  7. PREFACE: 31st Winter Workshop on Nuclear Dynamics (WWND2015)

    NASA Astrophysics Data System (ADS)

    Bellwied, Rene; Geurts, Frank; Timmins, Anthony

    2015-08-01

    These are the proceedings of the 31st Winter Workshop on Nuclear Dynamics, which was held in Keystone, Colorado, in January 2015. As in previous years, the unique character of this conference series has allowed us to bring together nuclear scientists with very different interests to discuss recent progress and scientific achievements. Out of the 63 contributions at WWND 2015 we have selected these 18 representative manuscripts. The topics capture the range of theoretical and experimental advances in our field. On the experimental side we saw very exciting results from the RHIC beam energy scan program, trying to characterize the exact energy required for a hadronic system to transition to deconfined Quark Gluon Matter. At the achievable LHC energies the focus was on the comparison of the data from the p-p, p-Pb and Pb-Pb runs. On the theory side this system size dependence of the experimental measurements led to a detailed evaluation of the initial conditions as well as a profound discussion on how small a QGP system can be. These results were complemented by the most recent continuum extrapolated data from lattice in order to model the complete evolution of the relativistic heavy ion system. These proceedings of the 31st Winter Workshop on Nuclear Dynamics again provide a snapshot of the status of the field. The articles, many of which were written by some of the most promising young scientists in the field, are documenting the excitement and achievements that are characteristic for modern day nuclear science. Rene Bellwied (University of Houston) Frank Geurts (Rice University) Anthony Timmins (University of Houston)

  8. Nuclear Hybrid Energy System Modeling: RELAP5 Dynamic Coupling Capabilities

    SciTech Connect

    Piyush Sabharwall; Nolan Anderson; Haihua Zhao; Shannon Bragg-Sitton; George Mesina

    2012-09-01

    The nuclear hybrid energy systems (NHES) research team is currently developing a dynamic simulation of an integrated hybrid energy system. A detailed simulation of proposed NHES architectures will allow initial computational demonstration of a tightly coupled NHES to identify key reactor subsystem requirements, identify candidate reactor technologies for a hybrid system, and identify key challenges to operation of the coupled system. This work will provide a baseline for later coupling of design-specific reactor models through industry collaboration. The modeling capability addressed in this report focuses on the reactor subsystem simulation.

  9. Computational fluid dynamics studies of nuclear rocket performance

    NASA Technical Reports Server (NTRS)

    Stubbs, Robert M.; Benson, Thomas J.; Kim, Suk C.

    1991-01-01

    A CFD analysis of a low pressure nuclear rocket concept is presented with the use of an advanced chemical kinetics, Navier-Stokes code. The computations describe the flow field in detail,including gas dynamic, thermodynamic and chemical properties, as well as global performance quantities such as specific impulse. Computational studies of several rocket nozzle shapes are conducted in an attempt to maximize hydrogen recombination. These Navier-Stokes calculations, which include real gas and viscous effects, predict lower performance values than have been reported heretofore.

  10. Computational fluid dynamics studies of nuclear rocket performance

    NASA Technical Reports Server (NTRS)

    Stubbs, Robert M.; Kim, Suk C.; Benson, Thomas J.

    1994-01-01

    A CFD analysis of a low pressure nuclear rocket concept is presented with the use of an advanced chemical kinetics, Navier-Stokes code. The computations describe the flow field in detail, including gas dynamic, thermodynamic and chemical properties, as well as global performance quantities such as specific impulse. Computational studies of several rocket nozzle shapes are conducted in an attempt to maximize hydrogen recombination. These Navier-Stokes calculations, which include real gas and viscous effects, predict lower performance values than have been reported heretofore.

  11. 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

  12. Design (and) principles of nuclear dynamics in Stockholm.

    PubMed

    Shav-Tal, Yaron; Lammerding, Jan

    2015-11-01

    The structural organization of the nucleus and its content has drawn increasing interest in recent years, as it is has become evident that the spatial and temporal arrangement of the genome and associated structures plays a crucial role in transcriptional regulation and numerous other functions. Shining light on the dynamic nature of this organization, along with the processes controlling it, were the topics of the Wenner-Gren Foundations international symposium "Nuclear Dynamics: Design (and) Principles." The meeting, organized by Piorgiogio Percipalle, Maria Vartiainen, Neus Visa, and Ann-Kristin Östlund-Farrants, brought over 60 participants, including 20 international speakers, to Stockholm, Sweden from August 19-22, 2015 to share the latest developments in the field. Given the unpublished nature of many of the talks, we have focused on covering the discussed topics and highlighting the latest trends in this exciting and rapidly evolving field. PMID:26730816

  13. Dynamic Encounters of Genes and Transcripts with the Nuclear Pore.

    PubMed

    Ben-Yishay, Rakefet; Ashkenazy, Asaf J; Shav-Tal, Yaron

    2016-07-01

    Transcribed mRNA molecules must reach the cytoplasm to undergo translation. Technological developments in imaging have placed mRNAs under the spotlight, allowing the quantitative study of the spatial and temporal dynamics of the nucleocytoplasmic mRNA export process. Here, we discuss studies that have used such experimental approaches to demonstrate that gene tethering at the nuclear pore complex (NPC) regulates mRNA expression, and to characterize mRNA dynamics during transport in real time. The paths taken by mRNAs as they move from their sites of transcription and travel through the nucleoplasm, in between chromatin domains, and finally through the NPC, can now be observed in detail. PMID:27185238

  14. ESCRT III repairs nuclear envelope ruptures during cell migration to limit DNA damage and cell death.

    PubMed

    Raab, M; Gentili, M; de Belly, H; Thiam, H R; Vargas, P; Jimenez, A J; Lautenschlaeger, F; Voituriez, Raphaël; Lennon-Duménil, A M; Manel, N; Piel, M

    2016-04-15

    In eukaryotic cells, the nuclear envelope separates the genomic DNA from the cytoplasmic space and regulates protein trafficking between the two compartments. This barrier is only transiently dissolved during mitosis. Here, we found that it also opened at high frequency in migrating mammalian cells during interphase, which allowed nuclear proteins to leak out and cytoplasmic proteins to leak in. This transient opening was caused by nuclear deformation and was rapidly repaired in an ESCRT (endosomal sorting complexes required for transport)-dependent manner. DNA double-strand breaks coincided with nuclear envelope opening events. As a consequence, survival of cells migrating through confining environments depended on efficient nuclear envelope and DNA repair machineries. Nuclear envelope opening in migrating leukocytes could have potentially important consequences for normal and pathological immune responses. PMID:27013426

  15. 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

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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

  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. Dynamics of beta and proliferating cell nuclear antigen sliding clamps in traversing DNA secondary structure.

    PubMed

    Yao, N; Hurwitz, J; O'Donnell, M

    2000-01-14

    Chromosomal replicases of cellular organisms utilize a ring shaped protein that encircles DNA as a mobile tether for high processivity in DNA synthesis. These "sliding clamps" have sufficiently large linear diameters to encircle duplex DNA and are perhaps even large enough to slide over certain DNA secondary structural elements. This report examines the Escherichia coli beta and human proliferating cell nuclear antigen clamps for their ability to slide over various DNA secondary structures. The results show that these clamps are capable of traversing a 13-nucleotide ssDNA loop, a 4-base pair stem-loop, a 4-nucleotide 5' tail, and a 15-mer bubble within the duplex. However, upon increasing the size of these structures (20-nucleotide loop, 12-base pair stem-loop, 28-nucleotide 5' tail, and 20-nucleotide bubble) the sliding motion of the beta and proliferating cell nuclear antigen over these elements is halted. Studies of the E. coli replicase, DNA polymerase III holoenzyme, in chain elongation with the beta clamp demonstrate that upon encounter with an oligonucleotide annealed in its path, it traverses the duplex and resumes synthesis on the 3' terminus of the oligonucleotide. This sliding and resumption of synthesis occurs even when the oligonucleotide contains a secondary structure element, provided the beta clamp can traverse the structure. However, upon encounter with a downstream oligonucleotide containing a large internal secondary structure, the holoenzyme clears the obstacle by strand displacing the oligonucleotide from the template. Implications of these protein dynamics to DNA transactions are discussed. PMID:10625694

  4. Dynamics of Protein Kinases: Insights from Nuclear Magnetic Resonance

    PubMed Central

    Xiao, Yao; Liddle, Jennifer C.; Pardi, Arthur; Ahn, Natalie G.

    2015-01-01

    CONSPECTUS Protein kinases are ubiquitous enzymes with critical roles in cellular processes and pathology. As a result, researchers have studied their activity and regulatory mechanisms extensively. Thousands of X-ray structures give snapshots of the architectures of protein kinases in various states of activation and ligand binding. However, the extent of and manner by which protein motions and conformational dynamics underlie the function and regulation of these important enzymes is not well understood. Nuclear magnetic resonance (NMR) methods provide complementary information about protein conformation and dynamics in solution. However, until recently, the large size of these enzymes prevented researchers from using these methods with kinases. Developments in transverse relaxation-optimized spectroscopy (TROSY)-based techniques and more efficient isotope labeling strategies are now allowing researchers to carry out NMR studies on full-length protein kinases. In this Account, we describe recent insights into the role of dynamics in protein kinase regulation and catalysis that have been gained from NMR measurements of chemical shift changes and line broadening, residual dipolar couplings, and relaxation. These findings show strong associations between protein motion and events that control kinase activity. Dynamic and conformational changes occurring at ligand binding sites and other regulatory domains of these proteins propagate to conserved kinase core regions that mediate catalytic function. NMR measurements of slow time scale (microsecond to millisecond) motions also reveal that kinases carry out global exchange processes that synchronize multiple residues and allosteric interconversion between conformational states. Activating covalent modifications or ligand binding to form the Michaelis complex can induce these global processes. Inhibitors can also exploit the exchange properties of kinases by using conformational selection to form dynamically quenched

  5. Dynamics of nuclear wave packets at the F center in alkali halides

    NASA Astrophysics Data System (ADS)

    Koyama, Takeshi; Suemoto, Tohru

    2011-07-01

    The F center in alkali halides is a well-known prototype of a strongly coupled localized electron-phonon system. This colour center is one of the long studied targets in the field of photophysics because it is simple but rich in variety. Steady-state spectroscopy, such as modulation spectroscopy and Raman scattering spectroscopy, has elucidated the strength of the electron-phonon coupling in the (meta-)stable state, i.e. the ground state and the relaxed excited state. Picosecond spectroscopy has improved understanding of the state mixing in the transient state. Owing to recent developments of ultrafast lasers with pulse widths shorter than oscillation periods of phonons, it has been possible to perform real-time observation of lattice vibration, and the understanding of the transient state has been remarkably expanded. In this paper, we review early and present studies on dynamics of electron-phonon coupling at the F center, especially recent real-time observations on the dynamics of nuclear wave packets in the excited state of the F center in KI, KBr, KCl and RbCl. These real-time observations reveal (i) spatial extension of the electronic wave function of a trapped electron, (ii) the difference between the coupled phonons in the ground state and the excited state, (iii) diabatic transition between the adiabatic potential energy surfaces and (iv) anharmonicity of the potential energy surface.

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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.

  12. Dynamical Effects of Nuclear Rings in Disk Galaxies

    NASA Astrophysics Data System (ADS)

    Heller, Clayton H.; Shlosman, Isaac

    1996-11-01

    We investigate the dynamical response of stellar orbits in a rotating barred galaxy potential to the perturbation by a nuclear gaseous ring. The change in three-dimensional periodic orbit families is examined as the gas accumulates between the inner Lindblad resonances. It is found that the phase space allowable to the x_2_ family of orbits is substantially increased, and a vertical instability strip appears with the growing mass of the ring. A significant distortion of the x_1_ orbits is observed in the vicinity of the ring, which leads to the intersection between orbits with different values of the Jacobi integral. We also examine the dependence of the orbital response to the eccentricity and alignment of the ring with the bar. Misalignment between an oval ring and a bar can leave observational footprints in the form of twisted near- infrared isophotes in the vicinity of the ring. It is inferred that a massive nuclear ring acts to weaken and dissolve the stellar bar exterior to the ring, whereas only weakly affecting the orbits interior to the inner Lindblad resonances. Consequences for gas evolution in the circumnuclear regions of barred galaxies are discussed as well.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. 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

  19. When is a type III functional response stabilizing? Theory and practice of predicting plankton dynamics under enrichment.

    PubMed

    Uszko, Wojciech; Diehl, Sebastian; Pitsch, Nadine; Lengfellner, Kathrin; Müller, Thomas

    2015-12-01

    The curvature of generalized Holling type functional response curves is controlled by a shape parameter b yielding hyperbolic type II (b = 1) to increasingly sigmoid type III (b > 1) responses. Empirical estimates of b vary considerably across taxa. Larger consumer-resource body mass ratios have been suggested to generate more pronounced type III responses and therefore to promote dynamic stability. The dependence of consumer- resource stability on b has, however, not been systematically explored, and the accurate empirical determination of b is challenging. Specifically, the shape of the functional response of the pelagic grazer Daphnia feeding on phytoplankton, and its consequences for stability, remain controversial. We derive a novel analytical condition relating b to local stability of consumer-resource interactions and use it to predict stability of empirically parameterized models of Daphnia and phytoplankton under enrichment. Functional response parameters were experimentally derived for two species of Daphnia feeding separately on single cultures of two different phytoplankton species. All experimentally studied Daphnia-algae systems exhibited type III responses. Parameterized type III responses are predicted to stabilize the modeled Daphnia-phytoplankton dynamics in some species pairs but not in others. Remarkably, stability predictions differ depending on whether functional response parameters are derived from clearance vs. ingestion rates. Accurate parameter estimation may therefore require fitting to both rates. In addition, our estimates of b for filter-feeding Daphnia are much smaller than predicted for actively hunting predators at similar consumer-resource body mass ratios. This suggests that the relationship between functional response shape and body mass ratios may vary with predation mode. PMID:26909430

  20. 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.

  1. LANDVIEW III

    EPA Science Inventory

    LandView III is a desktop mapping system that includes database extracts from the Environmental Protection Agency, the Bureau of the Census, The U.S. Geological Survey, the Nuclear Regulatory Commission, the Department of Transportation, and the Federal Emergency Management Agenc...

  2. Spectroscopic studies on two mono nuclear iron (III) complexes derived from a schiff base and an azodye

    SciTech Connect

    Mini, S. Sadasivan, V.; Meena, S. S. Bhatt, Pramod

    2014-10-15

    Two new mono nuclear Fe(III) complexes of an azodye (ANSN) and a Schiff base (FAHP) are reported. The azodye is prepared by coupling diazotized 1-amino-2-naphthol-4-sulphonicacid with 2-naphthol and the Schiff base is prepared by condensing 2-amino-3-hydroxy pyridine with furfural. The complexes were synthesized by the reaction of FeCl{sub 3}Ðœ‡2H{sub 2}O with respective ligands. They were characterized on the basis of elemental analysis and spectral studies like IR, NMR, Electronic and M.ssbauer. Magnetic susceptibility and Molar conductance of complexes at room temperature were studied. Based on the spectroscopic evidences and other analytical data the complexes are formulated as[Fe(ANSN)Cl(H{sub 2}O){sub 2}] and [Fe(FAHP)Cl{sub 2}(H{sub 2}O){sub 2}].

  3. Spectroscopic studies on two mono nuclear iron (III) complexes derived from a schiff base and an azodye

    NASA Astrophysics Data System (ADS)

    Mini, S.; Sadasivan, V.; Meena, S. S.; Bhatt, Pramod

    2014-10-01

    Two new mono nuclear Fe(III) complexes of an azodye (ANSN) and a Schiff base (FAHP) are reported. The azodye is prepared by coupling diazotized 1-amino-2-naphthol-4-sulphonicacid with 2-naphthol and the Schiff base is prepared by condensing 2-amino-3-hydroxy pyridine with furfural. The complexes were synthesized by the reaction of FeCl3˙2H2O with respective ligands. They were characterized on the basis of elemental analysis and spectral studies like IR, NMR, Electronic and M.ssbauer. Magnetic susceptibility and Molar conductance of complexes at room temperature were studied. Based on the spectroscopic evidences and other analytical data the complexes are formulated as[Fe(ANSN)Cl(H2O)2] and [Fe(FAHP)Cl2(H2O)2].

  4. Nuclear magnetic resonance study of the intramolecular rearrangement of 2-(5-cyanotetrazolato)pentaammine cobalt (III) perchlorate. [Perdeuterodimethylsulfoxide

    SciTech Connect

    Attalla, A.; Pitre, E.M.

    1985-03-11

    The intramolecular rearrangement of 2-(5-cyanotetrazolato)pentaammine cobalt (III) perchlorate (CP) to form the amidine chelate perchlorate coordination complex has been investigated by variable-temperature high-resolution proton nuclear magnetic resonance (NMR) spectroscopy. Using a concentration of 30 wt % CP in perdeuterodimethylsulfoxide ((CD/sub 3/)/sub 2/SO), the rate of formation of the amidine chelate was determined at five different temperatures (60, 70, 80, 90, and 100/sup 0/C). The logarithm of the specific rate constant at each temperature was plotted as a function of the reciprocal absolute temperature to arrive at the activation energy, E/sub a/ (19.5 kcal/mole), for the rearrangement process. 4 refs., 4 figs., 1 tab.

  5. Information flow and protein dynamics: the interplay between nuclear magnetic resonance spectroscopy and molecular dynamics simulations.

    PubMed

    Pastor, Nina; Amero, Carlos

    2015-01-01

    Proteins participate in information pathways in cells, both as links in the chain of signals, and as the ultimate effectors. Upon ligand binding, proteins undergo conformation and motion changes, which can be sensed by the following link in the chain of information. Nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations represent powerful tools for examining the time-dependent function of biological molecules. The recent advances in NMR and the availability of faster computers have opened the door to more detailed analyses of structure, dynamics, and interactions. Here we briefly describe the recent applications that allow NMR spectroscopy and MD simulations to offer unique insight into the basic motions that underlie information transfer within and between cells. PMID:25999971

  6. Information flow and protein dynamics: the interplay between nuclear magnetic resonance spectroscopy and molecular dynamics simulations

    PubMed Central

    Pastor, Nina; Amero, Carlos

    2015-01-01

    Proteins participate in information pathways in cells, both as links in the chain of signals, and as the ultimate effectors. Upon ligand binding, proteins undergo conformation and motion changes, which can be sensed by the following link in the chain of information. Nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations represent powerful tools for examining the time-dependent function of biological molecules. The recent advances in NMR and the availability of faster computers have opened the door to more detailed analyses of structure, dynamics, and interactions. Here we briefly describe the recent applications that allow NMR spectroscopy and MD simulations to offer unique insight into the basic motions that underlie information transfer within and between cells. PMID:25999971

  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. Peopling The American Colonies, Episode III. Resource Material Development: Population Dynamics in Eighth Grade American History.

    ERIC Educational Resources Information Center

    Massialas, Byron G.; And Others

    This is the third unit in a series that introduces population concepts into the eighth grade American history curriculum. (See SO 013 782 for an overview to the guide.) In Episode III, the history topic is the late colonial periods. Unit objectives are to (1) examine the effects of different lifestyles on population changes in America and England;…

  9. Putting World War III on ice: the nuclear freeze movement takes off

    SciTech Connect

    Pringle, P.

    1982-07-01

    Mr. Pringle observes that grassroots support for the anti-nuclear movement is behind both early- and late-comers among scientists and statesmen. He notes that the freeze movement has grown even faster than its organizers expected, forcing the administration's attention as US-Soviet strategic-arms talks get underway. The opposition of religious groups swelled beyond the traditional peace groups as people questioned the moral acceptability of counterforce policies. The development of this movement was further strengthened by the arguments of physicians that medical science cannot deal with the aftermath of a nuclear exchange. Senators Kennedy and Hatfield called for a bilateral freeze that is gaining support in Congress and putting additional pressure on the administration. (DCK)

  10. Dynamics of Bianchi type I, III and Kantowski-Sachs solutions in f(R,T) gravity

    NASA Astrophysics Data System (ADS)

    Zubair, M.; Ali Hassan, Syed M.

    2016-04-01

    In this paper, we reconstruct a suitable model in f(R,T) gravity, (where R is the Ricci scalar and T is the trace of the energy momentum tensor) which depict the current cosmic picture in more consistent way. The dynamical field equations are solved for generic anisotropic space-time. The solution of field equations helps us to determine the future cosmic evolution for both physical and kinematical quantities. We explore the nature of deceleration parameter, NEC and energy density for three different cases representing Bianchi type I, III and Kantowski-Sachs universe model. We find that this study favors the phantom cosmic evolution in all cases.

  11. 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.

  12. Nuclear magnetic resonance studies of macroscopic morphology and dynamics

    SciTech Connect

    Barrall, G A

    1995-09-01

    Nuclear magnetic resonance techniques are traditionally used to study molecular level structure and dynamics with a noted exception in medically applied NMR imaging (MRI). In this work, new experimental methods and theory are presented relevant to the study of macroscopic morphology and dynamics using NMR field gradient techniques and solid state two-dimensional exchange NMR. The goal in this work is not to take some particular system and study it in great detail, rather it is to show the utility of a number of new and novel techniques using ideal systems primarily as a proof of principle. By taking advantage of the analogy between NMR imaging and diffraction, one may simplify the experiments necessary for characterizing the statistical properties of the sample morphology. For a sample composed of many small features, e.g. a porous medium, the NMR diffraction techniques take advantage of both the narrow spatial range and spatial isotropy of the sample`s density autocorrelation function to obtain high resolution structural information in considerably less time than that required by conventional NMR imaging approaches. The time savings of the technique indicates that NMR diffraction is capable of finer spatial resolution than conventional NMR imaging techniques. Radio frequency NMR imaging with a coaxial resonator represents the first use of cylindrically symmetric field gradients in imaging. The apparatus as built has achieved resolution at the micron level for water samples, and has the potential to be very useful in the imaging of circularly symmetric systems. The study of displacement probability densities in flow through a random porous medium has revealed the presence of features related to the interconnectedness of the void volumes. The pulsed gradient techniques used have proven successful at measuring flow properties for time and length scales considerably shorter than those studied by more conventional techniques.

  13. Dynamic behavior of Arabidopsis eIF4A-III, putative core protein of exon junction complex: fast relocation to nucleolus and splicing speckles under hypoxia.

    PubMed

    Koroleva, O A; Calder, G; Pendle, A F; Kim, S H; Lewandowska, D; Simpson, C G; Jones, I M; Brown, J W S; Shaw, P J

    2009-05-01

    Here, we identify the Arabidopsis thaliana ortholog of the mammalian DEAD box helicase, eIF4A-III, the putative anchor protein of exon junction complex (EJC) on mRNA. Arabidopsis eIF4A-III interacts with an ortholog of the core EJC component, ALY/Ref, and colocalizes with other EJC components, such as Mago, Y14, and RNPS1, suggesting a similar function in EJC assembly to animal eIF4A-III. A green fluorescent protein (GFP)-eIF4A-III fusion protein showed localization to several subnuclear domains: to the nucleoplasm during normal growth and to the nucleolus and splicing speckles in response to hypoxia. Treatment with the respiratory inhibitor sodium azide produced an identical response to the hypoxia stress. Treatment with the proteasome inhibitor MG132 led to accumulation of GFP-eIF4A-III mainly in the nucleolus, suggesting that transition of eIF4A-III between subnuclear domains and/or accumulation in nuclear speckles is controlled by proteolysis-labile factors. As revealed by fluorescence recovery after photobleaching analysis, the nucleoplasmic fraction was highly mobile, while the speckles were the least mobile fractions, and the nucleolar fraction had an intermediate mobility. Sequestration of eIF4A-III into nuclear pools with different mobility is likely to reflect the transcriptional and mRNA processing state of the cell. PMID:19435936

  14. 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

  15. 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

  16. 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

  17. VISION - Verifiable Fuel Cycle Simulation of Nuclear Fuel Cycle Dynamics

    SciTech Connect

    Steven J. Piet; A. M. Yacout; J. J. Jacobson; C. Laws; G. E. Matthern; D. E. Shropshire

    2006-02-01

    The U.S. DOE Advanced Fuel Cycle Initiative’s (AFCI) fundamental objective is to provide technology options that - if implemented - would enable long-term growth of nuclear power while improving sustainability and energy security. The AFCI organization structure consists of four areas; Systems Analysis, Fuels, Separations and Transmutations. The Systems Analysis Working Group is tasked with bridging the program technical areas and providing the models, tools, and analyses required to assess the feasibility of design and deployment options and inform key decision makers. An integral part of the Systems Analysis tool set is the development of a system level model that can be used to examine the implications of the different mixes of reactors, implications of fuel reprocessing, impact of deployment technologies, as well as potential "exit" or "off ramp" approaches to phase out technologies, waste management issues and long-term repository needs. The Verifiable Fuel Cycle Simulation Model (VISION) is a computer-based simulation model that allows performing dynamic simulations of fuel cycles to quantify infrastructure requirements and identify key trade-offs between alternatives. It is based on the current AFCI system analysis tool "DYMOND-US" functionalities in addition to economics, isotopic decay, and other new functionalities. VISION is intended to serve as a broad systems analysis and study tool applicable to work conducted as part of the AFCI and Generation IV reactor development studies.

  18. VISION -- A Dynamic Model of the Nuclear Fuel Cycle

    SciTech Connect

    J. J. Jacobson; A. M. Yacout; S. J. Piet; D. E. Shropshire; G. E. Matthern

    2006-02-01

    The Advanced Fuel Cycle Initiative’s (AFCI) fundamental objective is to provide technology options that – if implemented – would enable long-term growth of nuclear power while improving sustainability and energy security. The AFCI organization structure consists of four areas; Systems Analysis, Fuels, Separations and Transmutations. The Systems Analysis Working Group is tasked with bridging the program technical areas and providing the models, tools, and analyses required to assess the feasibility of design and deploy¬ment options and inform key decision makers. An integral part of the Systems Analysis tool set is the development of a system level model that can be used to examine the implications of the different mixes of reactors, implications of fuel reprocessing, impact of deployment technologies, as well as potential “exit” or “off ramp” approaches to phase out technologies, waste management issues and long-term repository needs. The Verifiable Fuel Cycle Simulation Model (VISION) is a computer-based simulation model that allows performing dynamic simulations of fuel cycles to quantify infrastructure requirements and identify key trade-offs between alternatives. VISION is intended to serve as a broad systems analysis and study tool applicable to work conducted as part of the AFCI (including costs estimates) and Generation IV reactor development studies.

  19. 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.

  20. The effect of Gd on trityl-based dynamic nuclear polarisation in solids.

    PubMed

    Ravera, Enrico; Shimon, Daphna; Feintuch, Akiva; Goldfarb, Daniella; Vega, Shimon; Flori, Alessandra; Luchinat, Claudio; Menichetti, Luca; Parigi, Giacomo

    2015-10-28

    In dynamic nuclear polarisation (DNP) experiments performed under static conditions at 1.4 K we show that the presence of 1 mM Gd(iii)-DOTAREM increases the (13)C polarisation and decreases the (13)C polarisation buildup time of (13)C-urea dissolved in samples containing water/DMSO mixtures with trityl radical (OX063) concentrations of 10 mM or higher. To account for these observations further measurements were carried out at 6.5 K, using a combined EPR and NMR spectrometer. At this temperature, frequency swept DNP spectra of samples with 5 or 10 mM OX063 were measured, with and without 1 mM Gd-DOTA, and again a (13)C enhancement gain was observed due to the presence of Gd-DOTA. These measurements were complemented by electron-electron double resonance (ELDOR) measurements to quantitate the effect of electron spectral diffusion (eSD) on the DNP enhancements and lineshapes. Simulations of the ELDOR spectra were done using the following parameters: (i) a parameter defining the rate of the eSD process, (ii) an "effective electron-proton anisotropic hyperfine interaction parameter", and (iii) the transverse electron spin relaxation time of OX063. These parameters, together with the longitudinal electron spin relaxation time, measured by EPR, were used to calculate the frequency profile of electron polarisation. This, in turn, was used to calculate two basic solid effect (SE) and indirect cross effect (iCE) DNP spectra. A properly weighted combination of these two normalized DNP spectra provided a very good fit of the experimental DNP spectra. The best fit simulation parameters reveal that the addition of Gd(iii)-DOTA causes an increase in both the SE and the iCE contributions by similar amounts, and that the increase in the overall DNP enhancements is a result of narrowing of the ELDOR spectra (increased electron polarisation gradient across the EPR line). These changes in the electron depolarisation profile are a combined result of shortening of the longitudinal and

  1. Nuclear magnetometry studies of spin dynamics in quantum Hall systems

    NASA Astrophysics Data System (ADS)

    Fauzi, M. H.; Watanabe, S.; Hirayama, Y.

    2014-12-01

    We performed a nuclear magnetometry study on quantum Hall ferromagnet with a bilayer total filling factor of νtot=2 . We found not only a rapid nuclear relaxation but also a sudden change in the nuclear-spin polarization distribution after a one-second interaction with a canted antiferromagnetic phase. We discuss the possibility of observing cooperative phenomena coming from nuclear-spin ensemble triggered by hyperfine interaction in quantum Hall system.

  2. Single-molecule magnetism in a family of {Co(III)2Dy(III)2} butterfly complexes: effects of ligand replacement on the dynamics of magnetic relaxation.

    PubMed

    Langley, Stuart K; Ungur, Liviu; Chilton, Nicholas F; Moubaraki, Boujemaa; Chibotaru, Liviu F; Murray, Keith S

    2014-05-01

    The synthesis and structural characterization of four related heterometallic complexes of formulas [Dy(III)2Co(III)2(OMe)2(teaH)2(O2CPh)4(MeOH)4](NO3)2·MeOH·H2O (1a) and [Dy(III)2Co(III)2(OMe)2(teaH)2(O2CPh)4(MeOH)2(NO3)2]·MeOH·H2O (1b), [Dy(III)2Co(III)2(OMe)2(dea)2(O2CPh)4(MeOH)4](NO3)2 (2), [Dy(III)2Co(III)2(OMe)2(mdea)2(O2CPh)4(NO3)2] (3), and [Dy(III)2Co(III)2(OMe)2(bdea)2(O2CPh)4(MeOH)4](NO3)2·0.5MeOH·H2O (4a) and [Dy(III)2Co(III)2(OMe)2(bdea)2(O2CPh)4(MeOH)2(NO3)2]·MeOH·1.5H2O (4b) are reported (teaH3 = triethanolamine, deaH2 = diethanolamine, mdeaH2 = N-methyldiethanolamine, and bdeaH2 = N-n-butyldiethanolamine). Compounds 1 (≡ 1a and 1b) and 4 (≡ 4a and 4b) both display two unique molecules within the same crystal and all compounds display a butterfly type core, with the Dy(III) ions occupying the central body positions and the diamagnetic Co(III) ions the outer wing-tip sites. Compounds 1-4 were investigated via direct current and alternating current magnetic susceptibility measurements, and it was found that each complex displayed single-molecule magnet (SMM) behavior. All four compounds display unique coordination and geometric environments around the Dy(III) ions and it was found that each displays a different anisotropy barrier. Ab initio calculations were performed on 1-4 and these determined the low lying electronic structure of each Dy(III) ion and the magnetic interactions for each cluster. It was found that there was a strong correlation between the calculated energy gap between the ground and first excited states of the single-ion ligand-field split Dy(III) levels and the experimentally observed anisotropy barrier. Furthermore, the transverse g factors found for the Dy(III) ions, defining the tunnelling rates within the ground Kramers doublets, are largest for 1, which agrees with the experimental observation of the shortest relaxation time in the high-temperature domain for this complex. The magnetic exchange between the Dy(III

  3. 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.

  4. Carrier dynamics and Coulomb-enhanced capture in III-nitride quantum heterostructures

    NASA Astrophysics Data System (ADS)

    David, Aurelien; Hurni, Christophe A.; Young, Nathan G.; Craven, Michael D.

    2016-07-01

    A detailed study of the small-signal response of III-Nitride quantum well (QW) light-emitting diodes is presented, in which the electrical and optical responses are simultaneously measured. A complete transport-recombination model is introduced to account for measurements. This allows for a proper evaluation of the recombination lifetime and for the accurate quantification of thermionic carrier escape from the QW. Further, a yet-unreported carrier capture mechanism is identified and quantified; it increases with the carrier density in the QW and bears the signature of a Coulomb in-scattering process.

  5. Ca2+ and membrane binding to annexin 3 modulate the structure and dynamics of its N terminus and domain III

    PubMed Central

    Sopkova, Jana; Raguenes-Nicol, Céline; Vincent, Michel; Chevalier, Anne; Lewit-Bentley, Anita; Russo-Marie, Françoise; Gallay, Jacques

    2002-01-01

    Annexin 3 (ANX A3) represents ∼1% of the total protein of human neutrophils and promotes tight contact between membranes of isolated specific granules in vitro leading to their aggregation. Like for other annexins, the primary molecular events of the action of this protein is likely its binding to negatively charged phospholipid membranes in a Ca2+-dependent manner, via Ca2+-binding sites located on the convex side of the highly conserved core of the molecule. The conformation and dynamics of domain III can be affected by this process, as it was shown for other members of the family. The 20 amino-acid, N-terminal segment of the protein also could be affected and also might play a role in the modulation of its binding to the membranes. The structure and dynamics of these two regions were investigated by fluorescence of the two tryptophan residues of the protein (respectively, W190 in domain III and W5 in the N-terminal segment) in the wild type and in single-tryptophan mutants. By contrast to ANX A5, which shows a closed conformation and a buried W187 residue in the absence of Ca2+, domain III of ANX A3 exhibits an open conformation and a widely solvent-accessible W190 residue in the same conditions. This is in agreement with the three-dimensional structure of the ANX A3-E231A mutant lacking the bidentate Ca2+ ligand in domain III. Ca2+ in the millimolar concentration range provokes nevertheless a large mobility increase of the W190 residue, while interaction with the membranes reduces it slightly. In the N-terminal region, the W5 residue, inserted in the central pore of the protein, is weakly accessible to the solvent and less mobile than W190. Its amplitude of rotation increases upon binding of Ca2+ and returns to its original value when interacting with membranes. Ca2+ concentration for half binding of the W5A mutant to negatively charged membranes is ∼0.5 mM while it increases to ∼1 mM for the ANX A3 wild type and to ∼3 mM for the W190 ANX A3 mutant. In

  6. Magnetization Dynamics Changes of Dysprosium(III) Single-Ion Magnets Associated with Guest Molecules.

    PubMed

    Zhang, Sheng; Ke, Hongshan; Sun, Lin; Li, Xin; Shi, Quan; Xie, Gang; Wei, Qing; Yang, Desuo; Wang, Wenyuan; Chen, Sanping

    2016-04-18

    Two Dy(III) single-ion magnets with a trigonal dodecahedron (D2d) for 1 and an approximately square-antiprismatic (SAP, D4d) N2O6 coordination environment for 2, formulated as [Dy(Phen)(tfmb)3] (1) and [Dy(Phen)(tfmb)3]·0.5(1,4-dioxane) (2) (tfmb = 4,4,4-trifluoro-1-(4-methylphenyl)-1,3-butanedione, Phen = 1,10-phenanthroline), were obtained. Therein, complex 1 was transformed to 2 in 1,4-dioxane solution. Structural analysis shows that complexes 1 and 2 have differing local symmetry of Dy(III) ions. Magnetic studies indicate that the barrier heights (ΔE/kB) of 1 and 2 are 63.56 and 102.82 K under zero dc field as well as 118.50 and 164.55 K under 1200 Oe dc field, respectively. Based on the frequency dependencies of the ac susceptibilities, the effective barriers (ΔE/kB) and the pre-exponential factors (τ0) are 67.05 K and 4.57 × 10(-6) s for 1 and 95.88 K and 2.39 × 10(-7) s for 2 under zero dc field. The present work illustrates that guest-determined notable structure change results in different barrier heights. PMID:27018517

  7. Galaxy triplets in Sloan Digital Sky Survey Data Release 7 - III. Analysis of configuration and dynamics

    NASA Astrophysics Data System (ADS)

    Duplancic, Fernanda; Alonso, Sol; Lambas, Diego G.; O'Mill, Ana Laura

    2015-02-01

    We analyse the spatial configuration and the dynamical properties of a sample of 92 galaxy triplets obtained from the Data Release 7 of Sloan Digital Sky Survey (SDSS-DR7; SDSS-triplets) restricted to have members with spectroscopic redshifts in the range 0.01 ≤ z ≤ 0.14 and absolute r-band luminosities brighter than Mr = -20.5. The configuration analysis was performed through Agekyan & Anosova map (AA-map). We estimated dynamical parameters, namely the radius of the system, the velocity dispersion, a dimensionless crossing-time and the virial mass. We compared our results with those obtained for a sample of triplets from the catalogue `Isolated Triplets of Galaxies' (K-triplets) and a sample of Compact Groups. We have also studied a mock catalogue in order to compare real and projected configurations, and to estimate the three-dimensional dynamical parameters of the triple systems. We found that the SDSS-triplets prefer alignment configurations while K-triplets present a uniform distribution in the AA-map. From the dynamical analysis we conclude that the SDSS-triplets, K-triplets and Compact Groups present a similar behaviour comprising compact systems with low crossing-time values, with velocity dispersions and virial masses similar to those of low-mass loose groups. Moreover, we found that observed and simulated triplets present similar dynamical parameters. We also performed an analysis of the dark matter content of galaxy triplets finding that member galaxies of mock triplets belong to the same dark matter halo, showing a dynamical co-evolution of the system. These results suggest that the configuration and dynamics of triple systems favour galaxy interactions and mergers.

  8. Final Report for Dynamic Models for Causal Analysis of Panel Data. Dynamic Analysis of Event Histories. Part III, Chapter 1.

    ERIC Educational Resources Information Center

    Tuma, Nancy Brandon; Hannan, Michael T.

    The document, part of a series of chapters described in SO 011 759, examines sociological research methods for the study of change. The advantages and procedures for dynamic analysis of event-history data (data giving the number, timing, and sequence of changes in a categorical dependent variable) are considered. The authors argue for grounding…

  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. 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

  11. 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.

  12. 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.

  13. Dynamics of Wet Oxidation of High-AL-Content III-V Materials

    SciTech Connect

    Ashby, C.I.H.

    1999-01-27

    Oxidation of layers of high-Al-content III-V materials by water vapor has become the enabling process for high-efficiency vertical cavity surface emitting lasers (VCSELS) and has potential applications for reducing substrate current leakage in GaAs-on-insulator (GOI) MESFETS. Because of the established importance of wet oxidation in optoelectronic devices and its potential applications in electronic devices, it has become increasingly important to understand the mechanism of wet oxidation and how it might be expected to affect both the fabrication and subsequent operation of devices that have been made using this technique. The mechanism of wet oxidation and the consequence of this mechanism for heterostructure design and ultimate device operation are discussed here.

  14. Dynamics of Langmuir and ion-sound waves in type III solar radio sources

    NASA Technical Reports Server (NTRS)

    Robinson, P. A.; Willes, A. J.; Cairns, I. H.

    1993-01-01

    The study traces the evolution of Langmuir and ion-sound waves in type III sources, incorporating linear growth, linear damping, and nonlinear electrostatic decay. Improved estimates are obtained for the wavenumber range of growing waves and the nonlinear coupling coefficient for the decay process. It is shown that the conditions in the solar wind do not allow a steady state to be attained; instead, bursty linear and nonlinear interactions take place, consistent with the highly inhomogeneous and impulsive waves actually observed. Nonlinear growth is found to be rapid enough to saturate the growth of the parent Langmuir waves in the available interaction time. The competing processes of nonlinear wave collapse and quasi-linear relaxation are discussed, and it is concluded that neither is responsible for the saturation of Langmuir growth.

  15. Hydration structures of U(III) and U(IV) ions from ab initio molecular dynamics simulations

    SciTech Connect

    Leung, Kevin; Nenoff, Tina M.

    2012-08-21

    We apply DFT+U-based ab initio molecular dynamics simulations to study the hydration structures of U(III) and U(IV) ions, pertinent to redox reactions associated with uranium salts in aqueous media. U(III) is predicted to be coordinated to 8 water molecules, while U(IV) has a hydration number between 7 and 8. At least one of the innershell water molecules of the hydrated U(IV) complex becomes spontaneously deprotonated. As a result, the U(IV)-O pair correlation function exhibits a satellite peak at 2.15 A associated with the shorter U(IV)-(OH{sup -}) bond. This feature is not accounted for in analysis of extended x-ray absorption fine structure and x-ray adsorption near edge structure measurements, which yield higher estimates of U(IV) hydration numbers. This suggests that it may be useful to include the effect of possible hydrolysis in future interpretation of experiments, especially when the experimental pH is close to the reported hydrolysis equilibrium constant value.

  16. Dynamic characteristics of peripheral jet ACV. III - Coupling motion of heaving and pitching

    NASA Astrophysics Data System (ADS)

    Mori, T.; Maeda, H.

    The paper presents the dynamic characteristics of peripheral jet ACV (Air Cushion Vehicle) which has two degrees of freedom, i.e., heaving and pitching motion. The experiments are carried out for an ACV model, noting that the experimental results agree considerably with the analytical values. Furthermore, the response characteristics of ACV induced by the ground board oscillations of various modes are also investigated.

  17. Effects of proton irradiation on luminescence and carrier dynamics of self-assembled III-V quatum dots

    NASA Technical Reports Server (NTRS)

    Leon, R.; Marcinkevicius, S.; Siegert, J.; Magness, B.; Taylor, W.; Lobo, C.

    2002-01-01

    The effects of proton irradiation (1.5 MeV) on photoluminescence intensities and carrier dynamics were compared between III-V quantum dots and similar quantum well structures. A significant enhancement in radiation tolerance is seen with three-dimensional quantum confinement. Measurements were carried out in different quantum dot (QD) structures, varying in material (InGaAs/GaAs and InAlAs/AlGaAs), QD surface density (4x10^8 to 3x10'^10 cm^-2), and substrate orientation [(100) and (311) B]. Similar trends were observed for all QD samples. A slight increase in PL emission after low to intermediate proton doses, are also observed in InGaAs/GaAs (100) QD structures. The latter is explained in terms of more efficient carrier transfer from the wetting layer via radiation-induced defects.

  18. Electron-Nuclear Spin Dynamics in a Mesoscopic Solid-State Quantum Computer

    SciTech Connect

    Berman, G.P.; Campbell, D.K.; Doolen, G.D.; Nagaev, K.E.

    1998-12-07

    We numerically simulate the process of nuclear spin measurement in Kane's quantum computer. For this purpose, we model the quantum dynamics of two coupled nuclear spins located on {sup 31}P donors implanted in Si. We estimate the minimum time of measurement necessary for the reliable transfer of quantum information from the nuclear spin subsystem to the electronic one and the probability of error for typical values of external noise.

  19. 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

  20. Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.

    PubMed

    Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop

    2016-06-01

    The symmetry around a Dy ion is recognized to be a crucial parameter dictating magnetization relaxation dynamics. We prepared two similar square-antiprismatic complexes, [Dy(LOMe)2(H2O)2](PF6) (1) and Dy(LOMe)2(NO3) (2), where LOMe = [CpCo{P(O)(O(CH3))2}3], including either two neutral water molecules (1) or an anionic nitrate ligand (2). We demonstrated that in this case relaxation dynamics is dramatically affected by the introduction of a charged ligand, stabilizing the easy axis of magnetization along the nitrate direction. We also showed that the application of either a direct-current field or chemical dilution effectively stops quantum tunneling in the ground state of 2, thereby increasing the relaxation time by over 3 orders of magnitude at 3.5 K. PMID:27186802

  1. Transformations of galaxies - III. Encounter dynamics and tidal response as functions of galaxy structure

    NASA Astrophysics Data System (ADS)

    Barnes, Joshua E.

    2016-01-01

    Tidal interactions between disc galaxies depend on galaxy structure, but the details of this relationship are incompletely understood. I have constructed a three-parameter grid of bulge/disc/halo models broadly consistent with Λ cold dark matter, and simulated an extensive series of encounters using these models. Halo mass and extent strongly influence the dynamics of orbit evolution. In close encounters, the transfer of angular momentum mediated by the dynamical response of massive, extended haloes can reverse the direction of orbital motion of the central galaxies after their first passage. Tidal response is strongly correlated with the ratio ve/vc of escape to circular velocity within the participating discs. Moreover, the same ratio also correlates with the rate at which tidal tails are reaccreted by their galaxies of origin; consequently, merger remnants with `twin tails', such as NGC 7252, may prove hard to reproduce unless (ve/vc)2 ≲ 5.5. The tidal morphology of an interacting system can provide useful constraints on progenitor structure. In particular, encounters in which halo dynamics reverses orbital motion exhibit a distinctive morphology which may be recognized observationally. Detailed models attempting to reproduce observations of interacting galaxies should explore the likely range of progenitor structures along with other encounter parameters.

  2. 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).

  3. Loss of lamin A function increases chromatin dynamics in the nuclear interior

    PubMed Central

    Bronshtein, I.; Kepten, E.; Kanter, I.; Berezin, S.; Lindner, M.; Redwood, Abena B.; Mai, S; Gonzalo, S.; Foisner, R.; Shav-Tal, Y.; Garini, Y.

    2015-01-01

    Chromatin is organized in a highly ordered yet dynamic manner in the cell nucleus, but the principles governing this organization remain unclear. Similarly, it is unknown whether, and how, various proteins regulate chromatin motion and as a result influence nuclear organization. Here by studying the dynamics of different genomic regions in the nucleus of live cells, we show that the genome has highly constrained dynamics. Interestingly, depletion of lamin A strikingly alters genome dynamics, inducing a dramatic transition from slow anomalous diffusion to fast and normal diffusion. In contrast, depletion of LAP2α, a protein that interacts with lamin A and chromatin, has no such effect on genome dynamics. We speculate that chromosomal inter-chain interactions formed by lamin A throughout the nucleus contribute to chromatin dynamics, and suggest that the molecular regulation of chromatin diffusion by lamin A in the nuclear interior is critical for the maintenance of genome organization. PMID:26299252

  4. Loss of lamin A function increases chromatin dynamics in the nuclear interior

    NASA Astrophysics Data System (ADS)

    Bronshtein, I.; Kepten, E.; Kanter, I.; Berezin, S.; Lindner, M.; Redwood, Abena B.; Mai, S.; Gonzalo, S.; Foisner, R.; Shav-Tal, Y.; Garini, Y.

    2015-08-01

    Chromatin is organized in a highly ordered yet dynamic manner in the cell nucleus, but the principles governing this organization remain unclear. Similarly, it is unknown whether, and how, various proteins regulate chromatin motion and as a result influence nuclear organization. Here by studying the dynamics of different genomic regions in the nucleus of live cells, we show that the genome has highly constrained dynamics. Interestingly, depletion of lamin A strikingly alters genome dynamics, inducing a dramatic transition from slow anomalous diffusion to fast and normal diffusion. In contrast, depletion of LAP2α, a protein that interacts with lamin A and chromatin, has no such effect on genome dynamics. We speculate that chromosomal inter-chain interactions formed by lamin A throughout the nucleus contribute to chromatin dynamics, and suggest that the molecular regulation of chromatin diffusion by lamin A in the nuclear interior is critical for the maintenance of genome organization.

  5. Econometrics and data of the 9 sector Dynamic General Equilibrium Model. Volume III. Final report

    SciTech Connect

    Berndt, E.R.; Fraumeni, B.M.; Hudson, E.A.; Jorgenson, D.W.; Stoker, T.M.

    1981-03-01

    This report presents the econometrics and data of the 9 sector Dynamic General Equilibrium Model. There are two key components of 9DGEM - the model of household behavior and the model of produconcrneer behavior. The household model is concerned with decisions on consumption, saving, labor supply and the composition of consumption. The producer model is concerned with output price formation and determination of input patterns and purchases for each of the nine producing sectors. These components form the behavioral basis of DGEM. The remaining components are concerned with constraints, balance conditions, accounting, and government revenues and expenditures (these elements are developed in the report on the model specification).

  6. Two initiator-like elements are required for the combined activation of the human apolipoprotein C-III promoter by upstream stimulatory factor and hepatic nuclear factor-4.

    PubMed

    Pastier, Daniele; Lacorte, Jean-Marc; Chambaz, Jean; Cardot, Philippe; Ribeiro, Agnes

    2002-04-26

    Human apoC-III (-890/+24) promoter activity is strongly activated by hepatic nuclear factor (HNF)-4 through its binding to the proximal (-87/-72) element B. This site overlaps the binding site for an activity that we identified as the ubiquitously expressed upstream stimulatory factor (USF) (Ribeiro, A., Pastier, D., Kardassis, D., Chambaz, J., and Cardot, P. (1999) J. Biol. Chem. 274, 1216-1225). In the present study, we characterized the relationship between USF and HNF-4 in the activation of human apoC-III transcription. Although USF and HNF-4 binding to element B is mutually exclusive, co-transfection experiments in HepG2 cells surprisingly showed a combined effect of USF and HNF-4 in the transactivation of the (-890/+24) apoC-III promoter. This effect only requires the proximal region (-99/+24) of the apoC-III promoter and depends neither on USF binding to its cognate site in element B nor on a USF-dependent facilitation of HNF-4 binding to its site. By contrast, we found by electrophoretic mobility shift assay and footprinting analysis two USF low affinity binding sites, located within the proximal promoter at positions -58/-31 (element II) and -19/-4 (element I), which are homologous to initiator-like element sequence. Co-transfection experiments in HepG2 cells show that a mutation in element II reduces 2-fold the USF transactivation effect on the proximal promoter of apoC-III and that a mutation in element I inhibits the combined effect of USF and HNF-4. In conclusion, these initiator-like elements are directly involved in the transactivation of the apoC-III promoter by USF and are necessary to the combined effect between USF and HNF-4 for the apoC-III transcription. PMID:11839757

  7. T1-Weighted Dynamic Contrast-Enhanced MRI as a Noninvasive Biomarker of Epidermal Growth Factor Receptor vIII Status

    PubMed Central

    Arevalo-Perez, J.; Thomas, A.A.; Kaley, T.; Lyo, J.; Peck, K.K.; Holodny, A.I.; Mellinghoff, I.K.; Shi, W.; Zhang, Z.; Young, R.J.

    2016-01-01

    BACKGROUND AND PURPOSE Epidermal growth factor receptor variant III is a common mutation in glioblastoma, found in approximately 25% of tumors. Epidermal growth factor receptor variant III may accelerate angiogenesis in malignant gliomas. We correlated T1-weighted dynamic contrast-enhanced MR imaging perfusion parameters with epidermal growth factor receptor variant III status. MATERIALS AND METHODS Eighty-two consecutive patients with glioblastoma and known epidermal growth factor receptor variant III status who had dynamic contrast-enhanced MR imaging before surgery were evaluated. Volumes of interest were drawn around the entire enhancing tumor on contrast T1-weighted images and then were transferred onto coregistered dynamic contrast-enhanced MR imaging perfusion maps. Histogram analysis with normalization was performed to determine the relative mean, 75th percentile, and 90th percentile values for plasma volume and contrast transfer coefficient. A Wilcoxon rank sum test was applied to assess the relationship between baseline perfusion parameters and positive epidermal growth factor receptor variant III status. The receiver operating characteristic method was used to select the cutoffs of the dynamic contrast-enhanced MR imaging perfusion parameters. RESULTS Increased relative plasma volume and increased relative contrast transfer coefficient parameters were both significantly associated with positive epidermal growth factor receptor variant III status. For epidermal growth factor receptor variant III–positive tumors, relative plasma volume mean was 9.3 and relative contrast transfer coefficient mean was 6.5; for epidermal growth factor receptor variant III–negative tumors, relative plasma volume mean was 3.6 and relative contrast transfer coefficient mean was 3.7 (relative plasma volume mean, P < .001, and relative contrast transfer coefficient mean, P = .008). The predictive powers of relative plasma volume histogram metrics outperformed those of the

  8. The confluence of structure and dynamics in lanthanide(III) chelates: how dynamics help define structure in solution

    PubMed Central

    Webber, Benjamin C.; Woods, Mark

    2013-01-01

    Coordination exchange processes tend to dominate the solution state behaviour of lanthanide chelates and generally prohibit the study of small conformational changes. In this article we take advantage of coordinatively rigid Eu3+ chelates to examine the small conformational changes that occur in these chelates as water dissociatively exchanges in and out of the inner coordination sphere. The results show that the time-averaged conformation of the chelate alters as the water exchange rate increases. This conformational change reflects a change in the hydration state (q/rLnH6) of the chelate. The hydration state has recently come to be expressed as two separate parameters q and rLnH. However, these two parameters simultaneously describe the same structural considerations which in solution, are indistinguishable and intrinsically related to, and dependent upon, the dissociative water exchange rate. This realization leads to the broader understanding that a solution state structure can only be appreciated with reference to the dynamics of the system. PMID:24100299

  9. Constraining the Absolute Orientation of eta Carinae's Binary Orbit: A 3-D Dynamical Model for the Broad [Fe III] Emission

    NASA Technical Reports Server (NTRS)

    Madura, T. I.; Gull, T. R.; Owocki, S. P.; Groh, J. H.; Okazaki, A. T.; Russell, C. M. P.

    2011-01-01

    We present a three-dimensional (3-D) dynamical model for the broad [Fe III] emission observed in Eta Carinae using the Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS). This model is based on full 3-D Smoothed Particle Hydrodynamics (SPH) simulations of Eta Car's binary colliding winds. Radiative transfer codes are used to generate synthetic spectro-images of [Fe III] emission line structures at various observed orbital phases and STIS slit position angles (PAs). Through a parameter study that varies the orbital inclination i, the PA(theta) that the orbital plane projection of the line-of-sight makes with the apastron side of the semi-major axis, and the PA on the sky of the orbital axis, we are able, for the first time, to tightly constrain the absolute 3-D orientation of the binary orbit. To simultaneously reproduce the blue-shifted emission arcs observed at orbital phase 0.976, STIS slit PA = +38deg, and the temporal variations in emission seen at negative slit PAs, the binary needs to have an i approx. = 130deg to 145deg, Theta approx. = -15deg to +30deg, and an orbital axis projected on the sky at a P A approx. = 302deg to 327deg east of north. This represents a system with an orbital axis that is closely aligned with the inferred polar axis of the Homunculus nebula, in 3-D. The companion star, Eta(sub B), thus orbits clockwise on the sky and is on the observer's side of the system at apastron. This orientation has important implications for theories for the formation of the Homunculus and helps lay the groundwork for orbital modeling to determine the stellar masses.

  10. 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.

  11. A dynamic model of metabolizable energy utilization in growing and mature cattle. III. Model evaluation.

    PubMed

    Williams, C B; Jenkins, T G

    2003-06-01

    Component models of heat production identified in a proposed system of partitioning ME intake and a dynamic systems model that predicts gain in empty BW in cattle resulting from a known intake of ME were evaluated. Evaluations were done in four main areas: 1) net efficiency of ME utilization for gain, 2) relationship between recovered energy and ME intake, 3) predicting gain in empty BW from recovered energy, and 4) predicting gain in empty BW from ME intake. An analysis of published data showed that the net partial efficiencies of ME utilization for protein and fat gain were approximately 0.2 and 0.75, respectively, and that the net efficiency of ME utilization for gain could be estimated using these net partial efficiencies and the fraction of recovered energy that is contained in protein. Analyses of published sheep and cattle experimental data showed a significant linear relationship between recovered energy and ME intake, with no evidence for a nonlinear relationship. Growth and body composition of Hereford x Angus steers simulated from weaning to slaughter showed that over the finishing period, 20.8% of ME intake was recovered in gain. These results were similar to observed data and comparable to feedlot data of 26.5% for a shorter finishing period with a higher-quality diet. The component model to predict gain in empty BW from recovered energy was evaluated with growth and body composition data of five steer genotypes on two levels of nutrition. Linear regression of observed on predicted values for empty BW resulted in an intercept and slope that were not different (P < 0.05) from 0 and 1, respectively. Evaluations of the dynamic systems model to predict gain in empty BW using ME intake as the input showed close agreement between predicted and observed final empty BW for steers that were finished on high-energy diets, and the model accurately predicted growth patterns for Angus, Charolais, and Simmental reproducing females from 10 mo to 7 yr of age. PMID

  12. Dynamics of the solar tachocline - III. Numerical solutions of the Gough and McIntyre model

    NASA Astrophysics Data System (ADS)

    Acevedo-Arreguin, L. A.; Garaud, P.; Wood, T. S.

    2013-09-01

    We present the first numerical simulations of the solar interior to exhibit a tachocline consistent with the Gough and McIntyre model. We find non-linear, axisymmetric, steady-state numerical solutions in which: (1) a large-scale primordial field is confined within the radiation zone by downwelling meridional flows that are gyroscopically pumped in the convection zone; (2) the radiation zone is in almost uniform rotation, with a rotation rate consistent with observations; (3) the bulk of the high-latitude tachocline is in thermal-wind balance, and the Lorentz force plays a negligible role in its dynamics; (4) the interaction between the field and the flows takes place within a very thin magnetic boundary layer, the tachopause, located at the bottom of the tachocline. We show that the thickness of the high-latitude tachocline scales with the amplitude of the meridional flows exactly as predicted by Gough and McIntyre. We also determine the parameter range in which such solutions can be obtained, and provide a simple explanation for the failure of previous numerical attempts at reproducing the Gough and McIntyre model. Finally, we discuss the implications of our findings for future numerical models of the solar interior, and for future observations of the Sun and other stars.

  13. Dynamics of starbursting dwarf galaxies. III. A H I study of 18 nearby objects

    NASA Astrophysics Data System (ADS)

    Lelli, Federico; Verheijen, Marc; Fraternali, Filippo

    2014-06-01

    We investigate the dynamics of starbursting dwarf galaxies, using both new and archival H I observations. We consider 18 nearby galaxies that have been resolved into single stars by HST observations, providing their star formation history and total stellar mass. We find that 9 objects have a regularly rotating H I disk, 7 have a kinematically disturbed H I disk, and 2 show unsettled H I distributions. Two galaxies (NGC 5253 and UGC 6456) show a velocity gradient along the minor axis of the H I disk, which we interpret as strong radial motions. For galaxies with a regularly rotating disk we derive rotation curves, while for galaxies with a kinematically disturbed disk, we estimate the rotation velocities in their outer parts. We derive baryonic fractions within about 3 optical scale lengths and find that, on average, baryons constitute at least 30% of the total mass. Despite the star formation having injected ~1056 ergs in the ISM in the past ~500 Myr, these starbursting dwarfs have both baryonic and gas fractions similar to those of typical dwarf irregulars, suggesting that they did not eject a large amount of gas out of their potential wells. Appendices are available in electronic form at http://www.aanda.orgH I datacubes (FITS files) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/566/A71

  14. The Nuclear Pore Complex as a Flexible and Dynamic Gate.

    PubMed

    Knockenhauer, Kevin E; Schwartz, Thomas U

    2016-03-10

    Nuclear pore complexes (NPCs) perforate the nuclear envelope and serve as the primary transport gates for molecular exchange between nucleus and cytoplasm. Stripping the megadalton complex down to its most essential organizational elements, one can divide the NPC into scaffold components and the disordered elements attached to them that generate a selective barrier between compartments. These structural elements exhibit flexibility, which may hold a clue in understanding NPC assembly and function. Here we review the current status of NPC research with a focus on the functional implications of its structural and compositional heterogeneity. PMID:26967283

  15. Control of electron spin decoherence caused by electron nuclear spin dynamics in a quantum dot

    NASA Astrophysics Data System (ADS)

    Liu, Ren-Bao; Yao, Wang; Sham, L. J.

    2007-07-01

    Control of electron spin decoherence in contact with a mesoscopic bath of many interacting nuclear spins in an InAs quantum dot is studied by solving the coupled quantum dynamics. The nuclear spin bath, because of its bifurcated evolution predicated on the electron spin up or down state, measures the which-state information of the electron spin and hence diminishes its coherence. The many-body dynamics of the nuclear spin bath is solved with a pair-correlation approximation. In the relevant timescale, nuclear pair-wise flip flops, as elementary excitations in the mesoscopic bath, can be mapped into the precession of non-interacting pseudo-spins. Such mapping provides a geometrical picture for understanding the decoherence and for devising control schemes. A close examination of nuclear bath dynamics reveals a wealth of phenomena and new possibilities of controlling the electron spin decoherence. For example, when the electron spin is flipped by a π-pulse at τ, its coherence will partially recover at \\sqrt{2}\\tau as a consequence of quantum disentanglement from the mesoscopic bath. In contrast to the re-focusing of inhomogeneously broadened phases by conventional spin-echoes, the disentanglement is realized through shepherding quantum evolution of the bath state via control of the quantum object. A concatenated construction of pulse sequences can eliminate the decoherence with arbitrary accuracy, with the nuclear nuclear spin interaction strength acting as the controlling small parameter.

  16. Dynamical effects in the Coulomb expansion following nuclear fragmentation

    SciTech Connect

    Chung, K.C.; Donangelo, R.; Schechter, H.

    1987-09-01

    The effects of the Coulomb expansion on the fragment kinetic energy spectrum for a fragmentating hot nuclear system is investigated. In particular, /sup 12/C-fragment spectra are calculated and compared with those predicted by the uniform expansion approximation. The results indicate that the energy spectra of fragments are quite sensitive to the details of the Coulomb expansion treatment.

  17. Nuclear Dynamics Consequence Analysis (NDCA) for the Disposal of Spent Nuclear Fuel in an Underground Geologic Repository - Volume 3: Appendices

    SciTech Connect

    Taylor, L.L.; Wilson, J.R.; Sanchez, L.C.; Aguilar, R.; Trellue, H.R.; Cochrane, K.; Rath, J.S.

    1998-10-01

    The United States Department of Energy Office of Environmental Management's (DOE/EM's) National Spent Nuclear Fuel Program (NSNFP), through a collaboration between Sandia National Laboratories (SNL) and Idaho National Engineering and Environmental Laboratory (INEEL), is conducting a systematic Nuclear Dynamics Consequence Analysis (NDCA) of the disposal of SNFs in an underground geologic repository sited in unsaturated tuff. This analysis is intended to provide interim guidance to the DOE for the management of the SNF while they prepare for final compliance evaluation. This report presents results from a Nuclear Dynamics Consequence Analysis (NDCA) that examined the potential consequences and risks of criticality during the long-term disposal of spent nuclear fuel owned by DOE-EM. This analysis investigated the potential of post-closure criticality, the consequences of a criticality excursion, and the probability frequency for post-closure criticality. The results of the NDCA are intended to provide the DOE-EM with a technical basis for measuring risk which can be used for screening arguments to eliminate post-closure criticality FEPs (features, events and processes) from consideration in the compliance assessment because of either low probability or low consequences. This report is composed of an executive summary (Volume 1), the methodology and results of the NDCA (Volume 2), and the applicable appendices (Volume 3).

  18. 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.

  19. 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.

  20. Nuclear deformability and telomere dynamics are regulated by cell geometric constraints

    PubMed Central

    Makhija, Ekta; Jokhun, D. S.; Shivashankar, G. V.

    2016-01-01

    Forces generated by the cytoskeleton can be transmitted to the nucleus and chromatin via physical links on the nuclear envelope and the lamin meshwork. Although the role of these active forces in modulating prestressed nuclear morphology has been well studied, the effect on nuclear and chromatin dynamics remains to be explored. To understand the regulation of nuclear deformability by these active forces, we created different cytoskeletal states in mouse fibroblasts using micropatterned substrates. We observed that constrained and isotropic cells, which lack long actin stress fibers, have more deformable nuclei than elongated and polarized cells. This nuclear deformability altered in response to actin, myosin, formin perturbations, or a transcriptional down-regulation of lamin A/C levels in the constrained and isotropic geometry. Furthermore, to probe the effect of active cytoskeletal forces on chromatin dynamics, we tracked the spatiotemporal dynamics of heterochromatin foci and telomeres. We observed increased dynamics and decreased correlation of the heterochromatin foci and telomere trajectories in constrained and isotropic cell geometry. The observed enhanced dynamics upon treatment with actin depolymerizing reagents in elongated and polarized geometry were regained once the reagent was washed off, suggesting an inherent structural memory in chromatin organization. We conclude that active forces from the cytoskeleton and rigidity from lamin A/C nucleoskeleton can together regulate nuclear and chromatin dynamics. Because chromatin remodeling is a necessary step in transcription control and its memory, genome integrity, and cellular deformability during migration, our results highlight the importance of cell geometric constraints as critical regulators in cell behavior. PMID:26699462

  1. JINA Workshop Nuclear Physics in Hot Dense Dynamic Plasmas

    SciTech Connect

    Kritcher, A L; Cerjan, C; Landen, O; Libby, S; Chen, M; Wilson, B; Knauer, J; Mcnabb, D; Caggiano, J; Bleauel, D; Weideking, M; Kozhuharov, C; Brandau, C; Stoehlker, T; Meot, V; Gosselin, G; Morel, P; Schneider, D; Bernstein, L A

    2011-03-07

    Measuring NEET and NEEC is relevant for probing stellar cross-sections and testing atomic models in hot plasmas. Using NEEC and NEET we can excite nuclear levels in laboratory plasmas: (1) NIF: Measure effect of excited nuclear levels on (n,{gamma}) cross-sections, 60% and never been measured; (2) Omega, Test cross-sections for creating these excited levels via NEEC and NEET. Will allow us to test models that estimate resonance overlap of atomic states with the nucleus: (1) Average Atom model (AA) (CEA&LLNL), single average wave-function potential; (2) Super Transition Array (STA) model (LLNL), More realistic individual configuration potentials NEET experimental data is scarce and not in a plasma environment, NEEC has not yet been observed.

  2. The old nuclear star cluster in the Milky Way: dynamics, mass, statistical parallax, and black hole mass

    NASA Astrophysics Data System (ADS)

    Chatzopoulos, S.; Fritz, T. K.; Gerhard, O.; Gillessen, S.; Wegg, C.; Genzel, R.; Pfuhl, O.

    2015-02-01

    We derive new constraints on the mass, rotation, orbit structure, and statistical parallax of the Galactic old nuclear star cluster and the mass of the supermassive black hole. We combine star counts and kinematic data from Fritz et al., including 2500 line-of-sight velocities and 10 000 proper motions obtained with VLT instruments. We show that the difference between the proper motion dispersions σl and σb cannot be explained by rotation, but is a consequence of the flattening of the nuclear cluster. We fit the surface density distribution of stars in the central 1000 arcsec by a superposition of a spheroidal cluster with scale ˜100 arcsec and a much larger nuclear disc component. We compute the self-consistent two-integral distribution function f(E, Lz) for this density model, and add rotation self-consistently. We find that (i) the orbit structure of the f(E, Lz) gives an excellent match to the observed velocity dispersion profiles as well as the proper motion and line-of-sight velocity histograms, including the double-peak in the vl-histograms. (ii) This requires an axial ratio near q1 = 0.7 consistent with our determination from star counts, q1 = 0.73 ± 0.04 for r < 70 arcsec. (iii) The nuclear star cluster is approximately described by an isotropic rotator model. (iv) Using the corresponding Jeans equations to fit the proper motion and line-of-sight velocity dispersions, we obtain best estimates for the nuclear star cluster mass, black hole mass, and distance M*(r < 100 arcsec) = (8.94 ± 0.31|stat ± 0.9|syst) × 106 M⊙, M• = (3.86 ± 0.14|stat ± 0.4|syst) × 106 M⊙, and R0 = 8.27 ± 0.09|stat ± 0.1|syst kpc, where the estimated systematic errors account for additional uncertainties in the dynamical modelling. (v) The combination of the cluster dynamics with the S-star orbits around Sgr A* strongly reduces the degeneracy between black hole mass and Galactic Centre distance present in previous S-star studies. A joint statistical analysis with the

  3. 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.

  4. 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

  5. Exploring Nuclear Effects in the Dynamics of Nanomaterials with a Quantum Trajectory-Electronic Structure Approach

    NASA Astrophysics Data System (ADS)

    Garashchuk, Sophya

    2014-03-01

    A massively parallel, direct quantum molecular dynamics method is described. The method combines a quantum trajectory (QT) representation of the nuclear wavefunction discretized into an ensemble of trajectories with an electronic structure (ES) description of electrons, namely using the Density Functional Tight Binding (DFTB) theory. Quantum nuclear effects are included into the dynamics of the nuclei via quantum corrections to the classical forces. To reduce computational cost and increase numerical accuracy, the quantum corrections to dynamics resulting from localization of the nuclear wavefunction are computed approximately and included into selected degrees of freedom representing light particles where the quantum effects are expected to be the most pronounced. A massively parallel implementation, based on the Message Passing Interface allows for efficient simulations of ensembles of thousands of trajectories at once. The QTES-DFTB dynamics approach is employed to study the role of quantum nuclear effects on the interaction of hydrogen with a model graphene sheet, revealing that neglect of nuclear effects can lead to an overestimation of adsorption. Supported by the National Science Foundation and the Petroleum Research Fund of the American Chemical Society.

  6. 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

  7. Studies in protein dynamics using heteronuclear nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Vugmeyster, Liliya

    Dynamic processes in proteins are important for their biological function. Several issues in protein dynamics are addressed by applying existing NMR methodologies to investigate dynamics of several small proteins. Amide H/D exchange rates have been measured for the N-terminal domain of the ribosomal protein L9, residues 1--56. The results suggest that the structure of the domain is preserved in isolation and that the stability of the isolated domain is comparable to the stability of this domain in intact L9. Single domain proteins can fold in vitro at rates in excess of 1 x 104 s-1. Measurement of folding rates of this magnitude poses a considerable technical challenge. Off-resonance 15N R1rho measurements are shown to be capable of measuring such fast protein folding rates. The measurements were performed on a sample of the peripheral subunit-binding domain from the dihydrolopoamide acetyltransferase component of the pyruvate dehydrogenase multienzyme complex from Bacillus stearothermophilus 15N labeled at Ala 11. Fast intramolecular motions (on ps-ns time scale) can be studied by heteronuclear laboratory frame NMR relaxation. The temperature dependence of the backbone dynamics of the 36-resiude subdomain of the F-actin bundling protein villin has been investigated by studying the temperature dependence of order parameters obtained from 15N relaxation measurements. The results support the hypothesis that one of the possible mechanisms of thermostability is to lower the heat capacity difference between the folded and unfolded states by lowering the contribution from the backbone dynamics. A commonly used model-free approach for the interpretation of the relaxation data for macromolecules in solution is modified to correct for the decoupling approximation between the overall and internal motions.

  8. Elasto-dynamic analysis of a gear pump-Part III: Experimental validation procedure and model extension to helical gears

    NASA Astrophysics Data System (ADS)

    Mucchi, E.; Dalpiaz, G.

    2015-01-01

    This work concerns external gear pumps for automotive applications, which operate at high speed and low pressure. In previous works of the authors (Part I and II, [1,2]), a non-linear lumped-parameter kineto-elastodynamic model for the prediction of the dynamic behaviour of external gear pumps was presented. It takes into account the most important phenomena involved in the operation of this kind of machine. The two main sources of noise and vibration are considered: pressure pulsation and gear meshing. The model has been used in order to foresee the influence of working conditions and design modifications on vibration generation. The model's experimental validation is a difficult task. Thus, Part III proposes a novel methodology for the validation carried out by the comparison of simulations and experimental results concerning forces and moments: it deals with the external and inertial components acting on the gears, estimated by the model, and the reactions and inertial components on the pump casing and the test plate, obtained by measurements. The validation is carried out comparing the level of the time synchronous average in the time domain and the waterfall maps in the frequency domain, with particular attention to identify system resonances. The validation results are satisfactory globally, but discrepancies are still present. Moreover, the assessed model has been properly modified for the application to a new virtual pump prototype with helical gears in order to foresee gear accelerations and dynamic forces. Part IV is focused on improvements in the modelling and analysis of the phenomena bound to the pressure evolution around the gears in order to achieve results closer to the measured values. As a matter of fact, the simulation results have shown that a variable meshing stiffness has a notable contribution on the dynamic behaviour of the pump but this is not as important as the pressure phenomena. As a consequence, the original model was modified with the

  9. 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.

  10. 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