Science.gov

Sample records for nuclear core spectroscopy

  1. Classification of iron-sulfur cores in ferredoxins by 1H nuclear magnetic resonance spectroscopy.

    PubMed

    Nagayama, K; Ozaki, Y; Kyogoku, Y; Hase, T; Matsubara, H

    1983-09-01

    A 1H nuclear magnetic resonance (NMR) study was carried out on various ferredoxins which possess one of three types of iron-sulfur clusters, (2Fe-2S), (3Fe-3S), or (4Fe-4S). In the isolated form, (2Fe-2S) ferredoxins from spinach (Spinacea oleracia), pokeweed (Phytolacca americana), a blue-green alga (Spirulina platensis), and a halobacterium (Halobacterium halobium) exhibited two broad resonances common in chemical shift at the region downfield of 10 ppm. In their reduced forms, seven contact-shifted resonances appeared spread over 30 ppm. Although the positions of the contact-shifted resonances in the reduced state differed among the four, a common trend in the temperature dependence of their resonance positions was recognized. Two (4Fe-4S) ferredoxins from Bacillus stearothermophilus and Bacillus thermoproteolyticus exhibited almost indistinguishable spectral patterns in both the oxidized and reduced forms. The ferricyanide-treated ferredoxins of B. stearothermophilus and B. thermoproteolyticus showed characteristic contact-shifted resonances distinct from the spectra of the original (4Fe-4S) ferredoxins. This corresponds to the recent finding of the interconversion of (4Fe-4S) and (3Fe-3S) clusters with ferricyanide in the ferredoxin. Based on our data together with reported NMR data on other ferredoxins, contact-shift resonances of three types of clusters were tabulated. The reliability of NMR classification increases when we compare the NMR spectra of a ferredoxin with the classification standards at the two redox states. Moreover, not only the absolute values of the chemical shifts of contact-shifted resonances but also their temperature dependence give distinctive information applicable to iron core identification.

  2. Nuclear core positioning system

    DOEpatents

    Garkisch, Hans D.; Yant, Howard W.; Patterson, John F.

    1979-01-01

    A structural support system for the core of a nuclear reactor which achieves relatively restricted clearances at operating conditions and yet allows sufficient clearance between fuel assemblies at refueling temperatures. Axially displaced spacer pads having variable between pad spacing and a temperature compensated radial restraint system are utilized to maintain clearances between the fuel elements. The core support plates are constructed of metals specially chosen such that differential thermal expansion produces positive restraint at operating temperatures.

  3. NUCLEAR REACTOR CORE DESIGN

    DOEpatents

    Mahlmeister, J.E.; Peck, W.S.; Haberer, W.V.; Williams, A.C.

    1960-03-22

    An improved core design for a sodium-cooled, graphitemoderated nuclear reactor is described. The improved reactor core comprises a number of blocks of moderator material, each block being in the shape of a regular prism. A number of channels, extending the length of each block, are disposed around the periphery. When several blocks are placed in contact to form the reactor core, the channels in adjacent blocks correspond with each other to form closed conduits extending the length of the core. Fuel element clusters are disposed in these closed conduits, and liquid coolant is forced through the annulus between the fuel cluster and the inner surface of the conduit. In a preferred embodiment of the invention, the moderator blocks are in the form of hexagonal prisms with longitudinal channels cut into the corners of the hexagon. The main advantage of an "edge-loaded" moderator block is that fewer thermal neutrons are absorbed by the moderator cladding, as compared with a conventional centrally loaded moderator block.

  4. Uranium droplet core nuclear rocket

    NASA Technical Reports Server (NTRS)

    Anghaie, Samim

    1991-01-01

    Uranium droplet nuclear rocket is conceptually designed to utilize the broad temperature range ofthe liquid phase of metallic uranium in droplet configuration which maximizes the energy transfer area per unit fuel volume. In a baseline system dissociated hydrogen at 100 bar is heated to 6000 K, providing 2000 second of Isp. Fission fragments and intense radian field enhance the dissociation of molecular hydrogen beyond the equilibrium thermodynamic level. Uranium droplets in the core are confined and separated by an axisymmetric vortex flow generated by high velocity tangential injection of hydrogen in the mid-core regions. Droplet uranium flow to the core is controlled and adjusted by a twin flow nozzle injection system.

  5. Droplet Core Nuclear Rocket (DCNR)

    NASA Technical Reports Server (NTRS)

    Anghaie, Samim

    1991-01-01

    The most basic design feature of the droplet core nuclear reactor is to spray liquid uranium into the core in the form of droplets on the order of five to ten microns in size, to bring the reactor to critical conditions. The liquid uranium fuel ejector is driven by hydrogen, and more hydrogen is injected from the side of the reactor to about one and a half meters from the top. High temperature hydrogen is expanded through a nozzle to produce thrust. The hydrogen pressure in the system can be somewhere between 50 and 500 atmospheres; the higher pressure is more desirable. In the lower core region, hydrogen is tangentially injected to serve two purposes: (1) to provide a swirling flow to protect the wall from impingement of hot uranium droplets: (2) to generate a vortex flow that can be used for fuel separation. The reactor is designed to maximize the energy generation in the upper region of the core. The system can result in and Isp of 2000 per second, and a thrust-to-weight ratio of 1.6 for the shielded reactor. The nuclear engine system can reduce the Mars mission duration to less than 200 days. It can reduce the hydrogen consumption by a factor of 2 to 3, which reduces the hydrogen load by about 130 to 150 metric tons.

  6. Nuclear Magnetic Resonance Spectroscopy

    DTIC Science & Technology

    1992-04-23

    and find new applications. A SENO 3 maturi ig undz:uanding of spin physics has allowed the de- 11 velopment of sophisticated techniques for assigning...structure of a fullerene Dist i S poial i9 derivative was determined. PAR" SENO3 I NMR spectroscopy continues to be invaluable as a routine 1i technique ...and SEN30 1s nucleic acids in solutions. The coverage of imaging and 7 spatially localized spectroscopy emphasizes technique de- 12 velopment and

  7. Nuclear core and fuel assemblies

    DOEpatents

    Downs, Robert E.

    1981-01-01

    A fast flux nuclear core of a plurality of rodded, open-lattice assemblies having a rod pattern rotated relative to a rod support structure pattern. Elongated fuel rods are oriented on a triangular array and laterally supported by grid structures positioned along the length of the assembly. Initial inter-assembly contact is through strongbacks at the corners of the support pattern and peripheral fuel rods between adjacent assemblies are nested so as to maintain a triangular pitch across a clearance gap between the other portions of adjacent assemblies. The rod pattern is rotated relative to the strongback support pattern by an angle .alpha. equal to sin .sup.-1 (p/2c), where p is the intra-assembly rod pitch and c is the center-to-center spacing among adjacent assemblies.

  8. Nuclear Spectroscopy with HELIOS

    NASA Astrophysics Data System (ADS)

    Hoffman, Calem

    2013-04-01

    Direct reaction studies have been instrumental in achieving our current understanding of nuclear structure through the measurement of angular distributions, the extraction of spectroscopic factors, and the determination of single-particle centroids. Traditionally, these experiments were carried out using a beam of light particles impinging on a heavy stable target. Over the last decade this important technique has been used with short-lived radioactive ion beams requiring these types of reactions to be carried out in inverse kinematics. There are numerous challenges to this approach, not least is the typical Q-value resolution being up to an order of magnitude worse than traditional measurements due mainly to the so-called kinematic compression. The Helical Orbit Spectrometer (HELIOS) is a detection system developed for the specific purpose of improving the Q value resolution for inverse direct reaction measurements, while also maintaining flexibility and high efficiency. The novel feature of HELIOS is use of a 3 Tesla solenoid inside which the reactions take place. This allows for light particles of interest to be measured at fixed longitudinal distances from the target as opposed to fixed laboratory angles. The subtle mapping from laboratory angle to longitudinal position removes the aforementioned kinematic compression effect improving the Q-value resolution by as much as a factor of five without out sacrificing detection efficiency. In addition, HELIOS provides a natural way to identify particles of interest, independent of energy, through their measured cyclotron period. The design and implementation of HELIOS at the Argonne Tandem Linear Accelerator System (ATLAS) on the site of Argonne National Laboratory will be presented. The device has been extremely successful as numerous early measurements have been conducted spanning masses A=11 to 136, using varying reactions such as (d,p), (d,^3He), and (^6LI,d), as well as a range of beam energies. Physics

  9. Microcoil nuclear magnetic resonance spectroscopy.

    PubMed

    Webb, A G

    2005-08-10

    In comparison with most analytical chemistry techniques, nuclear magnetic resonance has an intrinsically low sensitivity, and many potential applications are therefore precluded by the limited available quantity of certain types of sample. In recent years, there has been a trend, both commercial and academic, towards miniaturization of the receiver coil in order to increase the mass sensitivity of NMR measurements. These small coils have also proved very useful in coupling NMR detection with commonly used microseparation techniques. A further development enabled by small detectors is parallel data acquisition from many samples simultaneously, made possible by incorporating multiple receiver coils into a single NMR probehead. This review article summarizes recent developments and applications of "microcoil" NMR spectroscopy.

  10. Plasma core nuclear rocket technology

    NASA Astrophysics Data System (ADS)

    Latham, Thomas S.; Roman, Ward C.; Johnson, Bruce V.

    1993-06-01

    The nuclear lightbulb (NLB) rocket propulsion concept furnishes specific impulse above 2000 sec in conjunction with the greater-than-50,000 lb thrust levels required for rapid transit-time round-trip Mars missions requiring low initial mass in earth orbit. The NLB transfers energy from the gaseous nuclear fuel region to a hydrogen propellant via thermal radiation, thereby precluding material temperature constraints. An evaluation is presently made of technology and test method readiness for implementation and validation of this propulsion system concept.

  11. Plasma core nuclear rocket technology

    SciTech Connect

    Latham, T.S.; Roman, W.C.; Johnson, B.V.

    1993-06-01

    The nuclear lightbulb (NLB) rocket propulsion concept furnishes specific impulse above 2000 sec in conjunction with the greater-than-50,000 lb thrust levels required for rapid transit-time round-trip Mars missions requiring low initial mass in earth orbit. The NLB transfers energy from the gaseous nuclear fuel region to a hydrogen propellant via thermal radiation, thereby precluding material temperature constraints. An evaluation is presently made of technology and test method readiness for implementation and validation of this propulsion system concept. 13 refs.

  12. Magnetic nuclear core restraint and control

    DOEpatents

    Cooper, Martin H.

    1979-01-01

    A lateral restraint and control system for a nuclear reactor core adaptable to provide an inherent decrease of core reactivity in response to abnormally high reactor coolant fluid temperatures. An electromagnet is associated with structure for radially compressing the core during normal reactor conditions. A portion of the structures forming a magnetic circuit are composed of ferromagnetic material having a curie temperature corresponding to a selected coolant fluid temperature. Upon a selected signal, or inherently upon a preselected rise in coolant temperature, the magnetic force is decreased a given amount sufficient to relieve the compression force so as to allow core radial expansion. The expanded core configuration provides a decreased reactivity, tending to shut down the nuclear reaction.

  13. Magnetic nuclear core restraint and control

    DOEpatents

    Cooper, Martin H.

    1978-01-01

    A lateral restraint and control system for a nuclear reactor core adaptable to provide an inherent decrease of core reactivity in response to abnormally high reactor coolant fluid temperatures. An electromagnet is associated with structure for radially compressing the core during normal reactor conditions. A portion of the structures forming a magnetic circuit are composed of ferromagnetic material having a curie temperature corresponding to a selected coolant fluid temperature. Upon a selected signal, or inherently upon a preselected rise in coolant temperature, the magnetic force is decreased a given amount sufficient to relieve the compression force so as to allow core radial expansion. The expanded core configuration provides a decreased reactivity, tending to shut down the nuclear reaction.

  14. Neural networks for nuclear spectroscopy

    SciTech Connect

    Keller, P.E.; Kangas, L.J.; Hashem, S.; Kouzes, R.T.

    1995-12-31

    In this paper two applications of artificial neural networks (ANNs) in nuclear spectroscopy analysis are discussed. In the first application, an ANN assigns quality coefficients to alpha particle energy spectra. These spectra are used to detect plutonium contamination in the work environment. The quality coefficients represent the levels of spectral degradation caused by miscalibration and foreign matter affecting the instruments. A set of spectra was labeled with quality coefficients by an expert and used to train the ANN expert system. Our investigation shows that the expert knowledge of spectral quality can be transferred to an ANN system. The second application combines a portable gamma-ray spectrometer with an ANN. In this system the ANN is used to automatically identify, radioactive isotopes in real-time from their gamma-ray spectra. Two neural network paradigms are examined: the linear perception and the optimal linear associative memory (OLAM). A comparison of the two paradigms shows that OLAM is superior to linear perception for this application. Both networks have a linear response and are useful in determining the composition of an unknown sample when the spectrum of the unknown is a linear superposition of known spectra. One feature of this technique is that it uses the whole spectrum in the identification process instead of only the individual photo-peaks. For this reason, it is potentially more useful for processing data from lower resolution gamma-ray spectrometers. This approach has been tested with data generated by Monte Carlo simulations and with field data from sodium iodide and Germanium detectors. With the ANN approach, the intense computation takes place during the training process. Once the network is trained, normal operation consists of propagating the data through the network, which results in rapid identification of samples. This approach is useful in situations that require fast response where precise quantification is less important.

  15. Wire core reactor for nuclear thermal propulsion

    NASA Astrophysics Data System (ADS)

    Harty, Richard B.; Brengle, Robert G.

    1993-01-01

    Studies have been performed of a compact high-performance nuclear rocket reactor that incorporates a tungsten alloy wire fuel element. This reactor, termed the wire core reactor, can deliver a specific impulse of 1,000 s using an expander cycle and a nozzle expansion ratio of 500 to 1. The core is constructed of layers of 0.8-mm-dia fueled tungsten wires wound over alternate layers of spacer wires, which forms a rugged annular lattice. Hydrogen flow in the core is annular, flowing from inside to outside. In addition to the concepts compact size and good heat transfer, the core has excellent power-flow matching features and can resist vibration and thermal stresses during star-up and shutdown.

  16. Apparatus for controlling nuclear core debris

    DOEpatents

    Jones, Robert D.

    1978-01-01

    Nuclear reactor apparatus for containing, cooling, and dispersing reactor debris assumed to flow from the core area in the unlikely event of an accident causing core meltdown. The apparatus includes a plurality of horizontally disposed vertically spaced plates, having depressions to contain debris in controlled amounts, and a plurality of holes therein which provide natural circulation cooling and a path for debris to continue flowing downward to the plate beneath. The uppermost plates may also include generally vertical sections which form annular-like flow areas which assist the natural circulation cooling.

  17. Nuclear-spectroscopy problems studied with neutrons

    SciTech Connect

    Raman, S.

    1982-01-01

    Nuclear spectroscopy with neutrons continues to have a major impact on the progress of nuclear science. Neutrons, being uncharged, are particularly useful for the study of low energy reactions. Recent advances in time-of-flight spectroscopy, as well as in the gamma ray spectroscopy following neutron capture, have permitted precision studies of unbound and bound nuclear levels and related phenomena. By going to new energy domains, by using polarized beams and targets, through the invention of new kinds of detectors, and through the general improvement in beam quantity and quality, new features of nuclear structure and reactions have been obtained that are not ony interesting per se but are also grist for old and new theory mills. The above technical advances have opened up new opportunities for further discoveries.

  18. Nuclear-spectroscopy problems studied with neutrons

    NASA Astrophysics Data System (ADS)

    Raman, S.

    Nuclear spectroscopy with neutrons continues to have a major impact on the progress of nuclear science. Neutrons, being uncharged, are particularly useful for the study of low energy reactions. Recent advances in time-of-flight spectroscopy, as well as in the gamma ray spectroscopy following neutron capture, have permitted precision studies of unbound and bound nuclear levels and related phenomena. By going to new energy domains, by using polarized beams and targets, through the invention of new kinds of detectors, and through the general improvement in beam quantity and quality, new features of nuclear structure and reactions were obtained that are not only interesting per se but are also grist for old and new theory mills. The above technical advances have opened up opportunities for further discoveries.

  19. Nuclear Forensics using Gamma-ray Spectroscopy

    NASA Astrophysics Data System (ADS)

    Norman, E. B.

    2016-09-01

    Much of George Dracoulis's research career was devoted to utilising gamma-ray spectroscopy in fundamental studies in nuclear physics. This same technology is useful in a wide range of applications in the area of nuclear forensics. Over the last several years, our research group has made use of both high- and low-resolution gamma-ray spectrometers to: identify the first sample of plutonium large enough to be weighed; determine the yield of the Trinity nuclear explosion; measure fission fragment yields as a function of target nucleus and neutron energy; and observe fallout in the U. S. from the Fukushima nuclear reactor accident.

  20. Gas Core Nuclear Rocket Feasibility Project

    NASA Technical Reports Server (NTRS)

    Howe, S. D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1997-01-01

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas core nuclear rocket (GCNR) has the potential to be such a system. The gas core concept relies on the use of fluid dynamic forces to create and maintain a vortex. The vortex is composed of a fissile material which will achieve criticality and produce high power levels. By radiatively coupling to the surrounding fluids, extremely high temperatures in the propellant and, thus, high specific impulses can be generated. The ship velocities enabled by such performance may allow a 9 month round trip, manned Mars mission to be considered. Alternatively, one might consider slightly longer missions in ships that are heavily shielded against the intense Galactic Cosmic Ray flux to further reduce the radiation dose to the crew. The current status of the research program at the Los Alamos National Laboratory into the gas core nuclear rocket feasibility will be discussed.

  1. Gas core nuclear rocket feasibility project

    SciTech Connect

    Howe, S.D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1997-09-01

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas core nuclear rocket (GCNR) has the potential to be such a system. The gas core concept relies on the use of fluid dynamic forces to create and maintain a vortex. The vortex is composed of a fissile material which will achieve criticality and produce high power levels. By radiatively coupling to the surrounding fluids, extremely high temperatures in the propellant and, thus, high specific impulses can be generated. The ship velocities enabled by such performance may allow a 9 month round trip, manned Mars mission to be considered. Alternatively, one might consider slightly longer missions in ships that are heavily shielded against the intense Galactic Cosmic Ray flux to further reduce the radiation dose to the crew. The current status of the research program at the Los Alamos National Laboratory into the gas core nuclear rocket feasibility will be discussed.

  2. Open cycle gas core nuclear rockets

    NASA Technical Reports Server (NTRS)

    Ragsdale, Robert

    1991-01-01

    The open cycle gas core engine is a nuclear propulsion device. Propulsion is provided by hot hydrogen which is heated directly by thermal radiation from the nuclear fuel. Critical mass is sustained in the uranium plasma in the center. It has typically 30 to 50 kg of fuel. It is a thermal reactor in the sense that fissions are caused by absorption of thermal neutrons. The fast neutrons go out to an external moderator/reflector material and, by collision, slow down to thermal energy levels, and then come back in and cause fission. The hydrogen propellant is stored in a tank. The advantage of the concept is very high specific impulse because you can take the plasma to any temperature desired by increasing the fission level by withdrawing or turning control rods or control drums.

  3. Laser techniques for spectroscopy of core-excited atomic levels

    NASA Technical Reports Server (NTRS)

    Harris, S. E.; Young, J. F.; Falcone, R. W.; Rothenberg, J. E.; Willison, J. R.

    1982-01-01

    We discuss three techniques which allow the use of tunable lasers for high resolution and picosecond time scale spectroscopy of core-excited atomic levels. These are: anti-Stokes absorption spectroscopy, laser induced emission from metastable levels, and laser designation of selected core-excited levels.

  4. CAC - NUCLEAR THERMAL ROCKET CORE ANALYSIS CODE

    NASA Technical Reports Server (NTRS)

    Clark, J. S.

    1994-01-01

    One of the most important factors in the development of nuclear rocket engine designs is to be able to accurately predict temperatures and pressures throughout a fission nuclear reactor core with axial hydrogen flow through circular coolant passages. CAC is an analytical prediction program to study the heat transfer and fluid flow characteristics of a circular coolant passage. CAC predicts as a function of time axial and radial fluid conditions, passage wall temperatures, flow rates in each coolant passage, and approximate maximum material temperatures. CAC incorporates the hydrogen properties model STATE to provide fluid-state relations, thermodynamic properties, and transport properties of molecular hydrogen in any fixed ortho-para combination. The program requires the general core geometry, the core material properties as a function of temperature, the core power profile, and the core inlet conditions as function of time. Although CAC was originally developed in FORTRAN IV for use on an IBM 7094, this version is written in ANSI standard FORTRAN 77 and is designed to be machine independent. It has been successfully compiled on IBM PC series and compatible computers running MS-DOS with Lahey F77L, a Sun4 series computer running SunOS 4.1.1, and a VAX series computer running VMS 5.4-3. CAC requires 300K of RAM under MS-DOS, 422K of RAM under SunOS, and 220K of RAM under VMS. No sample executable is provided on the distribution medium. Sample input and output data are included. The standard distribution medium for this program is a 5.25 inch 360K MS-DOS format diskette. CAC was developed in 1966, and this machine independent version was released in 1992. IBM-PC and IBM are registered trademarks of International Business Machines. Lahey F77L is a registered trademark of Lahey Computer Systems, Inc. SunOS is a trademark of Sun Microsystems, Inc. VMS is a trademark of Digital Equipment Corporation. MS-DOS is a registered trademark of Microsoft Corporation.

  5. Small-Volume Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Fratila, Raluca M.; Velders, Aldrik H.

    2011-07-01

    Nuclear magnetic resonance (NMR) spectroscopy is one of the most information-rich analytical techniques available. However, it is also inherently insensitive, and this drawback precludes the application of NMR spectroscopy to mass- and volume-limited samples. We review a particular approach to increase the sensitivity of NMR experiments, namely the use of miniaturized coils. When the size of the coil is reduced, the sample volume can be brought down to the nanoliter range. We compare the main coil geometries (solenoidal, planar, and microslot/stripline) and discuss their applications to the analysis of mass-limited samples. We also provide an overview of the hyphenation of microcoil NMR spectroscopy to separation techniques and of the integration with lab-on-a-chip devices and microreactors.

  6. Core-Shell Nanoparticle-Enhanced Raman Spectroscopy.

    PubMed

    Li, Jian-Feng; Zhang, Yue-Jiao; Ding, Song-Yuan; Panneerselvam, Rajapandiyan; Tian, Zhong-Qun

    2017-03-08

    Core-shell nanoparticles are at the leading edge of the hot research topics and offer a wide range of applications in optics, biomedicine, environmental science, materials, catalysis, energy, and so forth, due to their excellent properties such as versatility, tunability, and stability. They have attracted enormous interest attributed to their dramatically tunable physicochemical features. Plasmonic core-shell nanomaterials are extensively used in surface-enhanced vibrational spectroscopies, in particular, surface-enhanced Raman spectroscopy (SERS), due to the unique localized surface plasmon resonance (LSPR) property. This review provides a comprehensive overview of core-shell nanoparticles in the context of fundamental and application aspects of SERS and discusses numerous classes of core-shell nanoparticles with their unique strategies and functions. Further, herein we also introduce the concept of shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS) in detail because it overcomes the long-standing limitations of material and morphology generality encountered in traditional SERS. We then explain the SERS-enhancement mechanism with core-shell nanoparticles, as well as three generations of SERS hotspots for surface analysis of materials. To provide a clear view for readers, we summarize various approaches for the synthesis of core-shell nanoparticles and their applications in SERS, such as electrochemistry, bioanalysis, food safety, environmental safety, cultural heritage, materials, catalysis, and energy storage and conversion. Finally, we exemplify about the future developments in new core-shell nanomaterials with different functionalities for SERS and other surface-enhanced spectroscopies.

  7. Consequences of nuclear electron capture in core collapse supernovae.

    PubMed

    Hix, W R; Messer, O E B; Mezzacappa, A; Liebendörfer, M; Sampaio, J; Langanke, K; Dean, D J; Martínez-Pinedo, G

    2003-11-14

    The most important weak nuclear interaction to the dynamics of stellar core collapse is electron capture, primarily on nuclei with masses larger than 60. In prior simulations of core collapse, electron capture on these nuclei has been treated in a highly parametrized fashion, if not ignored. With realistic treatment of electron capture on heavy nuclei come significant changes in the hydrodynamics of core collapse and bounce. We discuss these as well as the ramifications for the postbounce evolution in core collapse supernovae.

  8. Solid0Core Heat-Pipe Nuclear Batterly Type Reactor

    SciTech Connect

    Ehud Greenspan

    2008-09-30

    This project was devoted to a preliminary assessment of the feasibility of designing an Encapsulated Nuclear Heat Source (ENHS) reactor to have a solid core from which heat is removed by liquid-metal heat pipes (HP).

  9. Nuclear waste disposal utilizing a gaseous core reactor

    NASA Technical Reports Server (NTRS)

    Paternoster, R. R.

    1975-01-01

    The feasibility of a gaseous core nuclear reactor designed to produce power to also reduce the national inventories of long-lived reactor waste products through nuclear transmutation was examined. Neutron-induced transmutation of radioactive wastes is shown to be an effective means of shortening the apparent half life.

  10. Safe, Compact Nuclear Propulsion: Solid Core Nuclear Propulsion Concept

    DTIC Science & Technology

    1988-10-01

    1 (advanced arcjet) to 30 (state-of-the-art ion thruster) kg/ kWe . For a power source , the power is the total output power , and typical...shows the generalized sequence of events in this flight safety review process. Because safety features are designed into U.S. nuclear power sources ...experiments has been developed. 5. A safety approval process is in place. Thus, high confidence exists that space nuclear power sources can be developed

  11. Mox fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, Mark L.; Rosenstein, Richard G.

    2001-05-15

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion. characteristics of the assembly.

  12. MOX fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, Mark L.; Rosenstein, Richard G.

    1998-01-01

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion characteristics of the assembly.

  13. MOX fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, Mark L.; Rosenstein, Richard G.

    2001-07-17

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion characteristics of the assembly.

  14. MOX fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, M.L.; Rosenstein, R.G.

    1998-10-13

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion characteristics of the assembly. 38 figs.

  15. Nuclear spectroscopy above isomers in {sub 67}{sup 148}Ho{sub 81} and {sub 67}{sup 149}Ho{sub 82} nuclei: Search for core-excited states in {sup 149}Ho

    SciTech Connect

    Kownacki, J.; Napiorkowski, P. J.; Zielinska, M.; Kordyasz, A.; Srebrny, J.; Droste, Ch.; Morek, T.; Grodner, E.; Ruchowska, E.; Korman, A.; Czarnacki, W.; Kisielinski, M.; Kowalczyk, M.; Wrzosek-Lipska, K.; Hadynska-KlePk, K.; Mierzejewski, J.; Lieder, R. M.; Perkowski, J.; Andrzejewski, J.; Krol, A.

    2010-04-15

    The excited states of {sup 148}Ho and {sup 149}Ho isotopes are studied using gamma-ray and electron spectroscopy in off-beam and in-beam modes following {sup 112,114}Sn({sup 40}Ar,xnyp) reactions. Experiments include measurements of single gamma-rays and conversion electron spectra as well as gamma-gamma, electron-gamma, gamma-t, and gamma-gamma-t coincidences with the use of the OSIRIS-II 12-HPGe array and conversion electron spectrometer. Based on the present results, the level schemes of {sup 148}Ho and {sup 149}Ho are revised and significantly extended, up to about 4 and 5 MeV of excitation energy, respectively. Spin and parity of 5{sup -} are assigned to the 9.59-s isomer in {sup 148}Ho based on conversion electron results. Previously unobserved gamma rays feeding the 10{sup +} isomer in {sup 148}Ho and the 27/2{sup -} isomer in {sup 149}Ho nuclei are proposed. Shell-model calculations are performed. Possible core-excited states in {sup 149}Ho are discussed.

  16. Nuclear-transfer spectroscopy using radioactive targets

    SciTech Connect

    Naumann, R.A.; Dewberry, R.; Kouzes, R.T.; Hoff, R.; Boerner, H.; Lanier, R.G.; Mann, L.; Struble, G.L.

    1981-06-01

    The feasibiity and techniques for carrying out transfer spectroscopic experiments with radioactive targets having half lives down to a fraction of a year are reviewed. The use of such radioactive targets is illustrated by recent studies of the spectroscopy of /sup 149/Sm, /sup 174/Lu and /sup 247/Bk using (p,t) transfer spectroscopy.

  17. NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

    SciTech Connect

    Not Available

    1990-02-02

    This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

  18. NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

    SciTech Connect

    Not Available

    1990-02-02

    This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not? by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

  19. Thermal barrier and support for nuclear reactor fuel core

    DOEpatents

    Betts, Jr., William S.; Pickering, J. Larry; Black, William E.

    1987-01-01

    A thermal barrier/core support for the fuel core of a nuclear reactor having a metallic cylinder secured to the reactor vessel liner and surrounded by fibrous insulation material. A top cap is secured to the upper end of the metallic cylinder that locates and orients a cover block and post seat. Under normal operating conditions, the metallic cylinder supports the entire load exerted by its associated fuel core post. Disposed within the metallic cylinder is a column of ceramic material, the height of which is less than that of the metallic cylinder, and thus is not normally load bearing. In the event of a temperature excursion beyond the design limits of the metallic cylinder and resulting in deformation of the cylinder, the ceramic column will abut the top cap to support the fuel core post.

  20. Pulsed electron-nuclear-electron triple resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Thomann, Hans; Bernardo, Marcelino

    1990-05-01

    A new experimental technique, pulsed electron-nuclear-electron triple resonance spectroscopy, is demonstrated. It is based on a modification of the pulse sequence for electron-nuclear double resonance (ENDOR) in which two EPR and one NMR transition are irradiated. The irradiation of one EPR transition is detected via a second EPR transition. The nuclear hyperfine coupling, which separates these EPR transition frequencies, is the irradiated NMR transition. The major advantages of triple resonance spectroscopy include the ability to resolve overlapping nuclear resonances in the ENDOR spectrum and a more direct quantitative assignment of nuclear hyperfine and quadrupole couplings. The triple resonance experiment is an alternative to the recently proposed method of employing rapid magnetic field jumps between microwave pulses for generating hyperfine selective ENDOR spectra.

  1. Generating unstructured nuclear reactor core meshes in parallel

    DOE PAGES

    Jain, Rajeev; Tautges, Timothy J.

    2014-10-24

    Recent advances in supercomputers and parallel solver techniques have enabled users to run large simulations problems using millions of processors. Techniques for multiphysics nuclear reactor core simulations are under active development in several countries. Most of these techniques require large unstructured meshes that can be hard to generate in a standalone desktop computers because of high memory requirements, limited processing power, and other complexities. We have previously reported on a hierarchical lattice-based approach for generating reactor core meshes. Here, we describe efforts to exploit coarse-grained parallelism during reactor assembly and reactor core mesh generation processes. We highlight several reactor coremore » examples including a very high temperature reactor, a full-core model of the Korean MONJU reactor, a ¼ pressurized water reactor core, the fast reactor Experimental Breeder Reactor-II core with a XX09 assembly, and an advanced breeder test reactor core. The times required to generate large mesh models, along with speedups obtained from running these problems in parallel, are reported. A graphical user interface to the tools described here has also been developed.« less

  2. An americium-fueled gas core nuclear rocket

    SciTech Connect

    Kammash, T.; Galbraith, D.L.; Jan, T. )

    1993-01-10

    A gas core fission reactor that utilizes americium in place of uranium is examined for potential utilization as a nuclear rocket for space propulsion. The isomer [sup 242m]Am with a half life of 141 years is obtained from an (n, [gamma]) capture reaction with [sup 241]Am, and has the highest known thermal fission cross section. We consider a 7500 MW reactor, whose propulsion characteristics with [sup 235]U have already been established, and re-examine it using americium. We find that the same performance can be achieved at a comparable fuel density, and a radial size reduction (of both core and moderator/reflector) of about 70%.

  3. Robustness of Nuclear Core Activity Reconstruction by Data Assimilation

    NASA Astrophysics Data System (ADS)

    Bouriquet, Bertrand; Argaud, Jean-Philippe; Erhard, Patrick; Massart, Sébastien; Ponçot, Angélique; Ricci, Sophie; Thual, Olivier

    Inspired from meteorological applications, data assimilation techniques can be used to perform an optimal reconstruction of the neutronic field in a nuclear reactor core. Measurements and simulation information, coming from a numerical model, are merged together to build a better estimation of the whole field. In this paper, we first study the robustness of the method when the amount of measured information varies. We then study the influence of the nature of the instruments and their spatial repartition on the efficiency of the field reconstruction. This study also highlights the instruments providing most information within a data assimilation procedure. The study of various network configurations of instruments in the nuclear core establishes that the influence of each instrument depends both on the individual instrumentation location as well as on the chosen network.

  4. Robustness of nuclear core activity reconstruction by data assimilation

    NASA Astrophysics Data System (ADS)

    Bouriquet, Bertrand; Argaud, Jean-Philippe; Erhard, Patrick; Massart, Sébastien; Ponçot, Angélique; Ricci, Sophie; Thual, Olivier

    2011-02-01

    We apply a data assimilation technique, inspired from meteorological applications, to perform an optimal reconstruction of the neutronic activity field in a nuclear core. Both measurements and information coming from a numerical model are used. We first study the robustness of the method when the amount of measured information decreases. We then study the influence of the nature of the instruments and their spatial repartition on the efficiency of the field reconstruction.

  5. Architecture of the symmetric core of the nuclear pore.

    PubMed

    Lin, Daniel H; Stuwe, Tobias; Schilbach, Sandra; Rundlet, Emily J; Perriches, Thibaud; Mobbs, George; Fan, Yanbin; Thierbach, Karsten; Huber, Ferdinand M; Collins, Leslie N; Davenport, Andrew M; Jeon, Young E; Hoelz, André

    2016-04-15

    The nuclear pore complex (NPC) controls the transport of macromolecules between the nucleus and cytoplasm, but its molecular architecture has thus far remained poorly defined. We biochemically reconstituted NPC core protomers and elucidated the underlying protein-protein interaction network. Flexible linker sequences, rather than interactions between the structured core scaffold nucleoporins, mediate the assembly of the inner ring complex and its attachment to the NPC coat. X-ray crystallographic analysis of these scaffold nucleoporins revealed the molecular details of their interactions with the flexible linker sequences and enabled construction of full-length atomic structures. By docking these structures into the cryoelectron tomographic reconstruction of the intact human NPC and validating their placement with our nucleoporin interactome, we built a composite structure of the NPC symmetric core that contains ~320,000 residues and accounts for ~56 megadaltons of the NPC's structured mass. Our approach provides a paradigm for the structure determination of similarly complex macromolecular assemblies.

  6. Nuclear reactor spacer grid and ductless core component

    DOEpatents

    Christiansen, David W.; Karnesky, Richard A.

    1989-01-01

    The invention relates to a nuclear reactor spacer grid member for use in a liquid cooled nuclear reactor and to a ductless core component employing a plurality of these spacer grid members. The spacer grid member is of the egg-shell type and is constructed so that the walls of the cell members of the grid member are formed of a single thickness of metal to avoid tolerance problems. Within each cell member is a hydraulic spring which laterally constrains the nuclear material bearing rod which passes through each cell member against a hardstop in response to coolant flow through the cell member. This hydraulic spring is also suitable for use in a water cooled nuclear reactor. A core component constructed of, among other components, a plurality of these spacer grid members, avoids the use of a full length duct by providing spacer sleeves about the sodium tubes passing through the spacer grid members at locations between the grid members, thereby maintaining a predetermined space between adjacent grid members.

  7. Positron Annihilation Spectroscopy Study of Barnett Shale Core

    NASA Astrophysics Data System (ADS)

    Ameena, Fnu; Alsleben, Helge; Quarles, Carroll A.

    Measurements are reported of positron annihilation lifetime and Doppler broadening parameters on 14 samples of Barnett shale core selected from 196 samples ranging from depths of 6107 to 6402 feet. The Barnett shale core was taken from EOG well Two-O-Five 2H located in Johnson county TX. The selected samples are dark clay-rich mudstone consisting of fine-grained clay minerals. The samples are varied in shape, typically a few inches long and about 1/2 inch in width and thickness, and are representative of the predominant facies in the core. X-ray fluorescence (XRF), X-ray diffraction (XRD), petrographic analysis and geochemical analysis of total organic carbon (TOC) were already available for each of the selected samples. The lifetime data are analyzed in terms of three lifetime components with the shortest lifetime fixed at 125 ps. The second lifetime is attributed to positron annihilation in the bulk and positron trapping; and the third lifetime is due to positronium. Correlations of the lifetimes, intensities, the average lifetime and S and W parameters with TOC, XRF and XRD parameters are discussed. The observed correlations suggest that positron spectroscopy may be a useful tool in characterizing shale.

  8. 229Thorium-doped calcium fluoride for nuclear laser spectroscopy.

    PubMed

    Dessovic, P; Mohn, P; Jackson, R A; Winkler, G; Schreitl, M; Kazakov, G; Schumm, T

    2014-03-12

    The (229)thorium isotope presents an extremely low-energy isomer state of the nucleus which is expected around 7.8 eV, in the vacuum ultraviolet (VUV) regime. This unique system may bridge between atomic and nuclear physics, enabling coherent manipulation and precision spectroscopy of nuclear quantum states using laser light. It has been proposed to implant (229)thorium into VUV transparent crystal matrices to facilitate laser spectroscopy and possibly realize a solid-state nuclear clock. In this work, we validate the feasibility of this approach by computer modelling of thorium doping into calcium fluoride single crystals. Using atomistic modelling and full electronic structure calculations, we find a persistent large band gap and no additional electronic levels emerging in the middle of the gap due to the presence of the dopant, which should allow direct optical interrogation of the nuclear transition.Based on the electronic structure, we estimate the thorium nuclear quantum levels within the solid-state environment. Precision laser spectroscopy of these levels will allow the study of a broad range of crystal field effects, transferring Mössbauer spectroscopy into the optical regime.

  9. Analysis of suprathermal nuclear processes in the solar core plasma

    NASA Astrophysics Data System (ADS)

    Voronchev, Victor T.; Nakao, Yasuyuki; Watanabe, Yukinobu

    2017-04-01

    A consistent model for the description of suprathermal processes in the solar core plasma naturally triggered by fast particles generated in exoergic nuclear reactions is formulated. This model, based on the formalism of in-flight reaction probability, operates with different methods of treating particle slow-down in the plasma, and allows for the influence of electron degeneracy and electron screening on processes in the matter. The model is applied to examine slowing-down of 8.7 MeV α-particles produced in the {}7{Li}(p,α )α reaction of the pp chain, and to analyze suprathermal processes in the solar CNO cycle induced by them. Particular attention is paid to the suprathermal {}14{{N}}{(α ,{{p}})}17{{O}} reaction unappreciated in standard solar model simulations. It is found that an appreciable non-standard (α ,p) nuclear flow due to this reaction appears in the matter and modifies running of the CNO cycle in ∼95% of the solar core region. In this region at R> 0.1{R}ȯ , normal branching of nuclear flow {}14{{N}}≤ftarrow {}17{{O}}\\to {(}18{{F}})\\to {}18{{O}} transforms to abnormal sequential flow {}14{{N}}\\to {}17{{O}}\\to {(}18{{F}})\\to {}18{{O}}, altering some element abundances. In particular, nuclear network calculations reveal that in the outer core the abundances of 17O and 18O isotopes can increase by a factor of 20 as compared with standard estimates. A conjecture is made that other CNO suprathermal (α ,p) reactions may also affect abundances of CNO elements, including those generating solar neutrinos.

  10. 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.

  11. Nuclear line spectroscopy of solar flares

    NASA Technical Reports Server (NTRS)

    Forrest, D. J.; Murphy, R. J.

    1988-01-01

    A large nuclear-line-rich solar flare which occurred near the west limb on April 27, 1981 has been analyzed. Three intense and isolated gamma-ray lines observed have been identified as the deexcitation lines of Ne-20(1.634 MeV), C-12(4.438 MeV), and O-16(6.129 MeV). The elemental abundances of the ambient gas at the site of gamma-ray line production in the solar atmosphere deduced using the observations are found to be different from local Galactic abundances.

  12. Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

    ERIC Educational Resources Information Center

    Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

    2006-01-01

    A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…

  13. Probing vibrational anisotropy with nuclear resonance vibrational spectroscopy.

    SciTech Connect

    Pavlik, J. W.; Barabanschikov, A.; Oliver, A. G.; Alp, E. E.; Sturhahn, W.; Zhao, J.; Sage, J. T.; Scheidt, W. R.

    2010-06-14

    A NRVS single-crystal study (NRVS=nuclear resonance vibrational spectroscopy) has provided detailed information on the in-plane modes of nitrosyl iron porphyrinate [Fe(oep)(NO)] (see picture; oep=octaethylporphyrin). The axial nitrosyl ligand controls the direction of the in-plane iron motion.

  14. Morphology and nuclear spectroscopy of Markarian 231

    NASA Technical Reports Server (NTRS)

    Hutchings, J. B.; Neff, S. G.

    1987-01-01

    Deep optical imaging of Mkn 231 reveals twin (tidal?) tails, a linear nuclear feature at green wavelengths, and a very blue region 4 arcsec south of the nucleus. Much of the central part of the galaxy is red, but there are complex areas of blue luminosity outside this, and a sharp edge to the luminosity at a distance of about 16 arcsec from the center. Overall, the host galaxy appears to have a normal optical luminosity and blue color (B-R = about 0.7) despite being one of the most luminous galaxies known in the IR. Radio emission in the system is extended on one side on a scale similar to the optical tails, but shows no detailed correspondence with optical structure; in particular, there is no radio counterpart to the optical 'jet'. Examination of IUE archival data indicates that the UV flux is very weak and the UV spectrum is peculiar for a Seyfert galaxy. The UV observations provide evidence for considerable nuclear extinction in the system, in accordance with previously published optical and IR work, but the UV extinction is unlike Galactic absorption and may be more similar to that seen in the LMC. Recent optical spectra of Mkn 231 show changes in both the emission-line spectrum and in the strong broad absorption lines (BAL), compared with previously published observations. It is suggested that Mkn 231 may be a recently merged system which is currently undergoing star formation. The connection with BAL QSOs is also discussed.

  15. Characterising legacy spent nuclear fuel pond materials using microfocus X-ray absorption spectroscopy.

    PubMed

    Bower, W R; Morris, K; Mosselmans, J F W; Thompson, O R; Banford, A W; Law, K; Pattrick, R A D

    2016-11-05

    Analysis of a radioactive, coated concrete core from the decommissioned, spent nuclear fuel cooling pond at the Hunterston-A nuclear site (UK) has provided a unique opportunity to study radionuclides within a real-world system. The core, obtained from a dividing wall and sampled at the fill level of the pond, exhibited radioactivity (dominantly (137)Cs and (90)Sr) heterogeneously distributed across both painted faces. Chemical analysis of the core was undertaken using microfocus spectroscopy at Diamond Light Source, UK. Mapping of Sr across the surface coatings using microfocus X-ray fluorescence (μXRF) combined with X-ray absorption spectroscopy showed that Sr was bound to TiO2 particles in the paint layers, suggesting an association between TiO2 and radiostrontium. Stable Sr and Cs sorption experiments using concrete coupons were also undertaken to assess their interactions with the bulk concrete in case of a breach in the coating layers. μXRF and scanning electron microscopy showed that Sr was immobilized by the cement phases, whilst at the elevated experimental concentrations, Cs was associated with clay minerals in the aggregates. This study provides a crucial insight into poorly understood infrastructural contamination in complex systems and is directly applicable to the UK's nuclear decommissioning efforts.

  16. Support arrangement for core modules of nuclear reactors

    DOEpatents

    Bollinger, Lawrence R.

    1987-01-01

    A support arrangement is provided for the core modules of a nuclear reactor which provides support access through the control drive mechanisms of the reactor. This arrangement provides axial support of individual reactor core modules from the pressure vessel head in a manner which permits attachment and detachment of the modules from the head to be accomplished through the control drive mechanisms after their leadscrews have been removed. The arrangement includes a module support nut which is suspended from the pressure vessel head and screw threaded to the shroud housing for the module. A spline lock prevents loosening of the screw connection. An installation tool assembly, including a cell lifting and preloading tool and a torquing tool, fits through the control drive mechanism and provides lifting of the shroud housing while disconnecting the spline lock, as well as application of torque to the module support nut.

  17. Laser cutting apparatus for nuclear core fuel subassembly

    DOEpatents

    Walch, Allan P.; Caruolo, Antonio B.

    1982-02-23

    The object of the invention is to provide a system and apparatus which employs laser cutting to disassemble a nuclear core fuel subassembly. The apparatus includes a gantry frame (C) which straddles the core fuel subassembly (14), an x-carriage (22) travelling longitudinally above the frame which carries a focus head assembly (D) having a vertically moving carriage (46) and a laterally moving carriage (52), a system of laser beam transferring and focusing mirrors carried by the x-carriage and focusing head assembly, and a shroud follower (F) and longitudinal follower (G) for following the shape of shroud (14) to maintain a beam focal point (44) fixed upon the shroud surface for accurate cutting.

  18. Support arrangements for core modules of nuclear reactors. [PWR

    DOEpatents

    Bollinger, L.R.

    1983-11-03

    A support arrangement is provided for the core modules of a nuclear reactor which provides support access through the control drive mechanisms of the reactor. This arrangement provides axial support of individual reactor core modules from the pressure vessel head in a manner which permits attachment and detachment of the modules from the head to be accomplished through the control drive mechanisms after their leadscrews have been removed. The arrangement includes a module support nut which is suspended from the pressure vessel head and screw threaded to the shroud housing for the module. A spline lock prevents loosening of the screw connection. An installation tool assembly, including a cell lifting and preloading tool and a torquing tool, fits through the control drive mechanism and provides lifting of the shroud housing while disconnecting the spline lock, as well as application of torque to the module support nut.

  19. Piezoelectric material for use in a nuclear reactor core

    SciTech Connect

    Parks, D. A.; Reinhardt, Brian; Tittmann, B. R.

    2012-05-17

    In radiation environments ultrasonic nondestructive evaluation has great potential for improving reactor safety and furthering the understanding of radiation effects and materials. In both nuclear power plants and materials test reactors, elevated temperatures and high levels of radiation present challenges to ultrasonic NDE methodologies. The challenges are primarily due to the degradation of the ultrasonic sensors utilized. We present results from the operation of a ultrasonic piezoelectric transducer, composed of bulk single crystal AlN, in a nuclear reactor core for over 120 MWHrs. The transducer was coupled to an aluminum cylinder and operated in pulse echo mode throughout the irradiation. In addition to the pulse echo testing impedance data were obtained. Further, the piezoelectric coefficient d{sub 33} was measured prior to irradiation and found to be 5.5 pC/N which is unchanged from as-grown samples, and in fact higher than the measured d{sub 33} for many as-grown samples.

  20. Review of coaxial flow gas core nuclear rocket fluid mechanics

    NASA Technical Reports Server (NTRS)

    Weinstein, H.

    1976-01-01

    Almost all of the fluid mechanics research associated with the coaxial flow gas core reactor ended abruptly with the interruption of NASA's space nuclear program because of policy and budgetary considerations in 1973. An overview of program accomplishments is presented through a review of the experiments conducted and the analyses performed. Areas are indicated where additional research is required for a fuller understanding of cavity flow and of the factors which influence cold and hot flow containment. A bibliography is included with graphic material.

  1. Blm10 facilitates nuclear import of proteasome core particles.

    PubMed

    Weberruss, Marion H; Savulescu, Anca F; Jando, Julia; Bissinger, Thomas; Harel, Amnon; Glickman, Michael H; Enenkel, Cordula

    2013-10-16

    Short-lived proteins are degraded by proteasome complexes, which contain a proteolytic core particle (CP) but differ in the number of regulatory particles (RPs) and activators. A recently described member of conserved proteasome activators is Blm10. Blm10 contains 32 HEAT-like modules and is structurally related to the nuclear import receptor importin/karyopherin β. In proliferating yeast, RP-CP assemblies are primarily nuclear and promote cell division. During quiescence, RP-CP assemblies dissociate and CP and RP are sequestered into motile cytosolic proteasome storage granuli (PSG). Here, we show that CP sequestration into PSG depends on Blm10, whereas RP sequestration into PSG is independent of Blm10. PSG rapidly clear upon the resumption of cell proliferation and proteasomes are relocated into the nucleus. Thereby, Blm10 facilitates nuclear import of CP. Blm10-bound CP serves as an import receptor-cargo complex, as Blm10 mediates the interaction with FG-rich nucleoporins and is dissociated from the CP by Ran-GTP. Thus, Blm10 represents the first CP-dedicated nuclear import receptor in yeast.

  2. Nuclear factor Y regulates ancient budgerigar hepadnavirus core promoter activity.

    PubMed

    Shen, Zhongliang; Liu, Yanfeng; Luo, Mengjun; Wang, Wei; Liu, Jing; Liu, Wei; Pan, Shaokun; Xie, Youhua

    2016-09-16

    Endogenous viral elements (EVE) in animal genomes are the fossil records of ancient viruses and provide invaluable information on the origin and evolution of extant viruses. Extant hepadnaviruses include avihepadnaviruses of birds and orthohepadnaviruses of mammals. The core promoter (Cp) of hepadnaviruses is vital for viral gene expression and replication. We previously identified in the budgerigar genome two EVEs that contain the full-length genome of an ancient budgerigar hepadnavirus (eBHBV1 and eBHBV2). Here, we found eBHBV1 Cp and eBHBV2 Cp were active in several human and chicken cell lines. A region from nt -85 to -11 in eBHBV1 Cp was critical for the promoter activity. Bioinformatic analysis revealed a putative binding site of nuclear factor Y (NF-Y), a ubiquitous transcription factor, at nt -64 to -50 in eBHBV1 Cp. The NF-Y core binding site (ATTGG, nt -58 to -54) was essential for eBHBV1 Cp activity. The same results were obtained with eBHBV2 Cp and duck hepatitis B virus Cp. The subunit A of NF-Y (NF-YA) was recruited via the NF-Y core binding site to eBHBV1 Cp and upregulated the promoter activity. Finally, the NF-Y core binding site is conserved in the Cps of all the extant avihepadnaviruses but not of orthohepadnaviruses. Interestingly, a putative and functionally important NF-Y core binding site is located at nt -21 to -17 in the Cp of human hepatitis B virus. In conclusion, our findings have pinpointed an evolutionary conserved and functionally critical NF-Y binding element in the Cps of avihepadnaviruses.

  3. Nuclear magnetic resonance spectroscopy with single spin sensitivity

    PubMed Central

    Müller, C.; Kong, X.; Cai, J.-M.; Melentijević, K.; Stacey, A.; Markham, M.; Twitchen, D.; Isoya, J.; Pezzagna, S.; Meijer, J.; Du, J. F.; Plenio, M. B.; Naydenov, B.; McGuinness, L. P.; Jelezko, F.

    2014-01-01

    Nuclear magnetic resonance spectroscopy and magnetic resonance imaging at the ultimate sensitivity limit of single molecules or single nuclear spins requires fundamentally new detection strategies. The strong coupling regime, when interaction between sensor and sample spins dominates all other interactions, is one such strategy. In this regime, classically forbidden detection of completely unpolarized nuclei is allowed, going beyond statistical fluctuations in magnetization. Here we realize strong coupling between an atomic (nitrogen–vacancy) sensor and sample nuclei to perform nuclear magnetic resonance on four 29Si spins. We exploit the field gradient created by the diamond atomic sensor, in concert with compressed sensing, to realize imaging protocols, enabling individual nuclei to be located with Angstrom precision. The achieved signal-to-noise ratio under ambient conditions allows single nuclear spin sensitivity to be achieved within seconds. PMID:25146503

  4. Position-Sensitive Nuclear Spectroscopy with Pixel Detectors

    SciTech Connect

    Granja, Carlos; Vykydal, Zdenek; Jakubek, Jan; Pospisil, Stanislav

    2007-10-26

    State-of-the-art hybrid semiconductor pixel detectors such as Medipix2 are suitable for energy- and position-sensitive nuclear spectroscopy. In addition to excellent energy- and spatial-resolution, these devices can operate in spectroscopic, single-quantum counting and/or on-line tracking mode. A devoted compact USB-readout interface provides functionality and ease of operation. The compact and versatile Medipix2/USB radiation camera provides visualization, vacuum and room-temperature operation as a real-time portable active nuclear emulsion.

  5. Chemometric Analysis of Nuclear Magnetic Resonance Spectroscopy Data

    SciTech Connect

    ALAM,TODD M.; ALAM,M. KATHLEEN

    2000-07-20

    Chemometric analysis of nuclear magnetic resonance (NMR) spectroscopy has increased dramatically in recent years. A variety of different chemometric techniques have been applied to a wide range of problems in food, agricultural, medical, process and industrial systems. This article gives a brief review of chemometric analysis of NMR spectral data, including a summary of the types of mixtures and experiments analyzed with chemometric techniques. Common experimental problems encountered during the chemometric analysis of NMR data are also discussed.

  6. Nanoscale NMR spectroscopy and imaging of multiple nuclear species

    NASA Astrophysics Data System (ADS)

    Devience, Stephen J.; Pham, Linh M.; Lovchinsky, Igor; Sushkov, Alexander O.; Bar-Gill, Nir; Belthangady, Chinmay; Casola, Francesco; Corbett, Madeleine; Zhang, Huiliang; Lukin, Mikhail; Park, Hongkun; Yacoby, Amir; Walsworth, Ronald L.

    2015-02-01

    Nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) provide non-invasive information about multiple nuclear species in bulk matter, with wide-ranging applications from basic physics and chemistry to biomedical imaging. However, the spatial resolution of conventional NMR and MRI is limited to several micrometres even at large magnetic fields (>1 T), which is inadequate for many frontier scientific applications such as single-molecule NMR spectroscopy and in vivo MRI of individual biological cells. A promising approach for nanoscale NMR and MRI exploits optical measurements of nitrogen-vacancy (NV) colour centres in diamond, which provide a combination of magnetic field sensitivity and nanoscale spatial resolution unmatched by any existing technology, while operating under ambient conditions in a robust, solid-state system. Recently, single, shallow NV centres were used to demonstrate NMR of nanoscale ensembles of proton spins, consisting of a statistical polarization equivalent to ˜100-1,000 spins in uniform samples covering the surface of a bulk diamond chip. Here, we realize nanoscale NMR spectroscopy and MRI of multiple nuclear species (1H, 19F, 31P) in non-uniform (spatially structured) samples under ambient conditions and at moderate magnetic fields (˜20 mT) using two complementary sensor modalities.

  7. Reducing the risk to Mars: The gas core nuclear rocket

    SciTech Connect

    Howe, S. D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1998-01-15

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas-core nuclear rocket (GCNR) has the potential to be such a system. We have completed a comparative study of the potential impact that a GCNR could have on a manned Mars mission. The total IMLEO, transit times, and accumulated radiation dose to the crew will be compared with the NASA Design Reference Missions.

  8. Reducing the risk to Mars: The gas core nuclear rocket

    NASA Technical Reports Server (NTRS)

    Howe, S. D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1998-01-01

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas-core nuclear rocket (GCNR) has the potential to be such a system. The authors have completed a comparative study of the potential impact that a GCNR could have on a manned Mars mission. The total IMLEO, transit times, and accumulated radiation dose to the crew will be compared with the NASA Design Reference Missions.

  9. Reducing the risk to Mars: The gas core nuclear rocket

    SciTech Connect

    Howe, S.D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1998-12-31

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas-core nuclear rocket (GCNR) has the potential to be such a system. The authors have completed a comparative study of the potential impact that a GCNR could have on a manned Mars mission. The total IMLEO, transit times, and accumulated radiation dose to the crew will be compared with the NASA Design Reference Missions.

  10. Development of an automated core model for nuclear reactors

    SciTech Connect

    Mosteller, R.D.

    1998-12-31

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of this project was to develop an automated package of computer codes that can model the steady-state behavior of nuclear-reactor cores of various designs. As an added benefit, data produced for steady-state analysis also can be used as input to the TRAC transient-analysis code for subsequent safety analysis of the reactor at any point in its operating lifetime. The basic capability to perform steady-state reactor-core analysis already existed in the combination of the HELIOS lattice-physics code and the NESTLE advanced nodal code. In this project, the automated package was completed by (1) obtaining cross-section libraries for HELIOS, (2) validating HELIOS by comparing its predictions to results from critical experiments and from the MCNP Monte Carlo code, (3) validating NESTLE by comparing its predictions to results from numerical benchmarks and to measured data from operating reactors, and (4) developing a linkage code to transform HELIOS output into NESTLE input.

  11. Extreme Spectroscopy: In situ nuclear materials behavior from optical data

    SciTech Connect

    Guimbretiere, G.; Canizares, A.; Raimboux, N.; Omnee, R.; Duval, F.; Ammar, M.R.; Simon, P.; Desgranges, L.; Mohun, R.; Jegou, C.; Magnin, M.

    2015-07-01

    In the nuclear industry, materials are regularly exposed to high temperature or/and irradiation and a better knowledge and understanding of their behavior under such extreme conditions is a key-point for improvements and further developments. Nowadays, Raman spectroscopy begins to be well known as a promising technique in the post mortem and remote characterization of nuclear materials exposed to extreme conditions. On this topic, at ANIMMA 2013 conference, we have presented some results about its implementation in the study of model or real nuclear fuel. However, the strength of Raman spectroscopy as in situ characterization tool is mainly its ability to be implemented remotely through optical fibers. Aware of this, implementation of other optical techniques can be considered in order to gain information not only on the structural dynamics of materials but also on the electronic charge carrier populations. In this paper, we propose to present our last advances in Raman characterization of nuclear materials and enlarge to the in situ use of complementary optical spectroscopies. Emphasis will be made on the information that can be gained to the behavior of the model fuel depleted UO{sub 2} under extreme conditions of high temperature and ionic irradiation: - In Situ Raman identification of the radiolysis alteration products of UO{sub 2} in contact with water under ionic irradiation. - In Situ Raman recording of the damaged dynamic of UO{sub 2} under inert atmosphere. - In Situ Raman and photo-luminescence study of virgin and damaged UO2 at high temperature. - In Situ study of electronic charge carriers' behavior in U{sub x}Th{sub 1-x}O{sub 2} solid solutions by mean of Iono- and Thermo- luminescence under and post- ionic irradiation. (authors)

  12. Blood species discrimination using proton nuclear magnetic resonance spectroscopy.

    PubMed

    Zailer, Elina; Diehl, Bernd W K; Monakhova, Yulia B

    2016-11-25

    Blood species identification is an important challenge in forensic science. Conventional methods used for blood species analysis are destructive and associated with time-consuming sample preparation steps. Nuclear magnetic resonance (NMR) spectroscopy is known for its nondestructive properties and fast results. This research study presents a proton ((1)H) NMR method to discriminate blood species including human, cat, dog, elephant, and bison. Characteristic signals acting as markers are observed for each species. Moreover, the data are evaluated by principle component analysis (PCA) and support vector machines (SVM). A 100% correct species recognition between human and nonhuman species is achieved using radial basis kernel function (RBF) and standardized data. The research study shows that (1)H NMR spectroscopy is a powerful tool for differentiating human and nonhuman blood showing a great significance to forensic science.

  13. A versatile pulse programmer for pulsed nuclear magnetic resonance spectroscopy.

    NASA Technical Reports Server (NTRS)

    Tarr, C. E.; Nickerson, M. A.

    1972-01-01

    A digital pulse programmer producing the standard pulse sequences required for pulsed nuclear magnetic resonance spectroscopy is described. In addition, a 'saturation burst' sequence, useful in the measurement of long relaxation times in solids, is provided. Both positive and negative 4 V trigger pulses are produced that are fully synchronous with a crystal-controlled time base, and the pulse programmer may be phase-locked with a maximum pulse jitter of 3 ns to the oscillator of a coherent pulse spectrometer. Medium speed TTL integrated circuits are used throughout.

  14. Feasibility of Valence-to-Core X-ray Emission Spectroscopy for Tracking Transient Species

    PubMed Central

    2015-01-01

    X-ray spectroscopies, when combined in laser-pump, X-ray-probe measurement schemes, can be powerful tools for tracking the electronic and geometric structural changes that occur during the course of a photoinitiated chemical reaction. X-ray absorption spectroscopy (XAS) is considered an established technique for such measurements, and X-ray emission spectroscopy (XES) of the strongest core-to-core emission lines (Kα and Kβ) is now being utilized. Flux demanding valence-to-core XES promises to be an important addition to the time-resolved spectroscopic toolkit. In this paper we present measurements and density functional theory calculations on laser-excited, solution-phase ferrocyanide that demonstrate the feasibility of valence-to-core XES for time-resolved experiments. We discuss technical improvements that will make valence-to-core XES a practical pump–probe technique. PMID:26568779

  15. Ultrahigh temperature vapor core reactor-MHD system for space nuclear electric power

    NASA Technical Reports Server (NTRS)

    Maya, Isaac; Anghaie, Samim; Diaz, Nils J.; Dugan, Edward T.

    1991-01-01

    The conceptual design of a nuclear space power system based on the ultrahigh temperature vapor core reactor with MHD energy conversion is presented. This UF4 fueled gas core cavity reactor operates at 4000 K maximum core temperature and 40 atm. Materials experiments, conducted with UF4 up to 2200 K, demonstrate acceptable compatibility with tungsten-molybdenum-, and carbon-based materials. The supporting nuclear, heat transfer, fluid flow and MHD analysis, and fissioning plasma physics experiments are also discussed.

  16. Identification of a functional, CRM-1-dependent nuclear export signal in hepatitis C virus core protein.

    PubMed

    Cerutti, Andrea; Maillard, Patrick; Minisini, Rosalba; Vidalain, Pierre-Olivier; Roohvand, Farzin; Pecheur, Eve-Isabelle; Pirisi, Mario; Budkowska, Agata

    2011-01-01

    Hepatitis C virus (HCV) infection is a major cause of chronic liver disease worldwide. HCV core protein is involved in nucleocapsid formation, but it also interacts with multiple cytoplasmic and nuclear molecules and plays a crucial role in the development of liver disease and hepatocarcinogenesis. The core protein is found mostly in the cytoplasm during HCV infection, but also in the nucleus in patients with hepatocarcinoma and in core-transgenic mice. HCV core contains nuclear localization signals (NLS), but no nuclear export signal (NES) has yet been identified.We show here that the aa(109-133) region directs the translocation of core from the nucleus to the cytoplasm by the CRM-1-mediated nuclear export pathway. Mutagenesis of the three hydrophobic residues (L119, I123 and L126) in the identified NES or in the sequence encoding the mature core aa(1-173) significantly enhanced the nuclear localisation of the corresponding proteins in transfected Huh7 cells. Both the NES and the adjacent hydrophobic sequence in domain II of core were required to maintain the core protein or its fragments in the cytoplasmic compartment. Electron microscopy studies of the JFH1 replication model demonstrated that core was translocated into the nucleus a few minutes after the virus entered the cell. The blockade of nucleocytoplasmic export by leptomycin B treatment early in infection led to the detection of core protein in the nucleus by confocal microscopy and coincided with a decrease in virus replication.Our data suggest that the functional NLS and NES direct HCV core protein shuttling between the cytoplasmic and nuclear compartments, with at least some core protein transported to the nucleus. These new properties of HCV core may be essential for virus multiplication and interaction with nuclear molecules, influence cell signaling and the pathogenesis of HCV infection.

  17. Nuclear cardiology core syllabus of the European Association of Cardiovascular Imaging (EACVI).

    PubMed

    Gimelli, Alessia; Neglia, Danilo; Schindler, Thomas H; Cosyns, Bernard; Lancellotti, Patrizio; Kitsiou, Anastasia

    2015-04-01

    The European Association of Cardiovascular Imaging (EACVI) Core Syllabus for Nuclear Cardiology is now available online. The syllabus lists key elements of knowledge in nuclear cardiology. It represents a framework for the development of training curricula and provides expected knowledge-based learning outcomes to the nuclear cardiology trainees.

  18. Fluorescence and Diffuse Reflectance Spectroscopy for Breast Cancer Diagnosis During Core Needle Biopsy

    DTIC Science & Technology

    2007-09-01

    The goal of this project is to explore the potential of using tissue fluorescence and diffuse reflectance spectroscopy for breast cancer detection...sensor based on tissue fluorescence and diffuse reflectance spectroscopy as an adjunct diagnostic tool, which has the potential to provide guidance for core needle breast biopsy.

  19. Comments on the feasibility of developing gas core nuclear reactors. [for manned interplanetary spacecraft propulsion

    NASA Technical Reports Server (NTRS)

    Rom, F. E.

    1969-01-01

    Recent developments in the fields of gas core hydrodynamics, heat transfer, and neutronics indicate that gas core nuclear rockets may be feasible from the point of view of basic principles. Based on performance predictions using these results, mission analyses indicate that gas core nuclear rockets may have the potential for reducing the initial weight in orbit of manned interplanetary vehicles by a factor of 5 when compared to the best chemical rocket systems. In addition, there is a potential for reducing total trip times from 450 to 500 days for chemical systems to 250 to 300 days for gas core systems. The possibility of demonstrating the feasibility of gas core nuclear rocket engines by means of a logical series of experiments of increasing difficulty that ends with ground tests of full scale gas core reactors is considered.

  20. Heat transfer analysis of fuel assemblies in a heterogeneous gas core nuclear rocket

    NASA Technical Reports Server (NTRS)

    Watanabe, Yoichi; Appelbaum, Jacob; Diaz, Nils; Maya, Isaac

    1991-01-01

    Heat transfer problems of a heterogeneous gaseous core nuclear rocket were studied. The reactor core consists of 1.5-m long hexagonal fuel assemblies filled with pressurized uranium tetrafluoride (UF4) gas. The fuel gas temperature ranges from 3500 to 7000 K at a nominal operating condition of 40 atm. Each fuel assembly has seven coolant tubes, through which hydrogen propellant flows. The propellant temperature is not constrained by the fuel temperature but by the maximum temperature of the graphite coolant tube. For a core achieving a fission power density of 1000 MW/cu m, the propellant core exit temperature can be as high as 3200 K. The physical size of a 1250 MW gaseous core nuclear rocket is comparable with that of a NERVA-type solid core nuclear rocket. The engine can deliver a specific impulse of 1020 seconds and a thrust of 330 kN.

  1. Turbulence coefficients and stability studies for the coaxial flow or dissimiliar fluids. [gaseous core nuclear reactors

    NASA Technical Reports Server (NTRS)

    Weinstein, H.; Lavan, Z.

    1975-01-01

    Analytical investigations of fluid dynamics problems of relevance to the gaseous core nuclear reactor program are presented. The vortex type flow which appears in the nuclear light bulb concept is analyzed along with the fluid flow in the fuel inlet region for the coaxial flow gaseous core nuclear reactor concept. The development of numerical methods for the solution of the Navier-Stokes equations for appropriate geometries is extended to the case of rotating flows and almost completes the gas core program requirements in this area. The investigations demonstrate that the conceptual design of the coaxial flow reactor needs further development.

  2. Serum metabonomics of acute leukemia using nuclear magnetic resonance spectroscopy

    PubMed Central

    Musharraf, Syed Ghulam; Siddiqui, Amna Jabbar; Shamsi, Tahir; Choudhary, M. Iqbal; Rahman, Atta-ur

    2016-01-01

    Acute leukemia is a critical neoplasm of white blood cells. In order to differentiate between the metabolic alterations associated with two subtypes of acute leukemia, acute lymphoblastic leukemia (ALL) and acute myeloid leukemia (AML), we investigated the serum of ALL and AML patients and compared with two controls (healthy and aplastic anemia) using 1H NMR (nuclear magnetic resonance) spectroscopy. Thirty-seven putative metabolites were identified using Carr-Purcell-Meiboom-Gill (CPMG) sequence. The use of PLS-DA and OPLS-DA models gave results with 84.38% and 90.63% classification rate, respectively. The metabolites responsible for classification are mainly lipids, lactate and glucose. Compared with controls, ALL and AML patients showed serum metabonomic differences involving aberrant metabolism pathways including glycolysis, TCA cycle, lipoprotein changes, choline and fatty acid metabolisms. PMID:27480133

  3. High-resolution two-field nuclear magnetic resonance spectroscopy.

    PubMed

    Cousin, Samuel F; Charlier, Cyril; Kadeřávek, Pavel; Marquardsen, Thorsten; Tyburn, Jean-Max; Bovier, Pierre-Alain; Ulzega, Simone; Speck, Thomas; Wilhelm, Dirk; Engelke, Frank; Maas, Werner; Sakellariou, Dimitrios; Bodenhausen, Geoffrey; Pelupessy, Philippe; Ferrage, Fabien

    2016-12-07

    Nuclear magnetic resonance (NMR) is a ubiquitous branch of spectroscopy that can explore matter at the scale of an atom. Significant improvements in sensitivity and resolution have been driven by a steady increase of static magnetic field strengths. However, some properties of nuclei may be more favourable at low magnetic fields. For example, transverse relaxation due to chemical shift anisotropy increases sharply at higher magnetic fields leading to line-broadening and inefficient coherence transfers. Here, we present a two-field NMR spectrometer that permits the application of rf-pulses and acquisition of NMR signals in two magnetic centres. Our prototype operates at 14.1 T and 0.33 T. The main features of this system are demonstrated by novel NMR experiments, in particular a proof-of-concept correlation between zero-quantum coherences at low magnetic field and single quantum coherences at high magnetic field, so that high resolution can be achieved in both dimensions, despite a ca. 10 ppm inhomogeneity of the low-field centre. Two-field NMR spectroscopy offers the possibility to circumvent the limits of high magnetic fields, while benefiting from their exceptional sensitivity and resolution. This approach opens new avenues for NMR above 1 GHz.

  4. Discrete decoding based ultrafast multidimensional nuclear magnetic resonance spectroscopy

    SciTech Connect

    Wei, Zhiliang; Lin, Liangjie; Ye, Qimiao; Li, Jing; Cai, Shuhui; Chen, Zhong

    2015-07-14

    The three-dimensional (3D) nuclear magnetic resonance (NMR) spectroscopy constitutes an important and powerful tool in analyzing chemical and biological systems. However, the abundant 3D information arrives at the expense of long acquisition times lasting hours or even days. Therefore, there has been a continuous interest in developing techniques to accelerate recordings of 3D NMR spectra, among which the ultrafast spatiotemporal encoding technique supplies impressive acquisition speed by compressing a multidimensional spectrum in a single scan. However, it tends to suffer from tradeoffs among spectral widths in different dimensions, which deteriorates in cases of NMR spectroscopy with more dimensions. In this study, the discrete decoding is proposed to liberate the ultrafast technique from tradeoffs among spectral widths in different dimensions by focusing decoding on signal-bearing sites. For verifying its feasibility and effectiveness, we utilized the method to generate two different types of 3D spectra. The proposed method is also applicable to cases with more than three dimensions, which, based on the experimental results, may widen applications of the ultrafast technique.

  5. Nuclear Magnetic Resonance Spectroscopy-Based Identification of Yeast.

    PubMed

    Himmelreich, Uwe; Sorrell, Tania C; Daniel, Heide-Marie

    2017-01-01

    Rapid and robust high-throughput identification of environmental, industrial, or clinical yeast isolates is important whenever relatively large numbers of samples need to be processed in a cost-efficient way. Nuclear magnetic resonance (NMR) spectroscopy generates complex data based on metabolite profiles, chemical composition and possibly on medium consumption, which can not only be used for the assessment of metabolic pathways but also for accurate identification of yeast down to the subspecies level. Initial results on NMR based yeast identification where comparable with conventional and DNA-based identification. Potential advantages of NMR spectroscopy in mycological laboratories include not only accurate identification but also the potential of automated sample delivery, automated analysis using computer-based methods, rapid turnaround time, high throughput, and low running costs.We describe here the sample preparation, data acquisition and analysis for NMR-based yeast identification. In addition, a roadmap for the development of classification strategies is given that will result in the acquisition of a database and analysis algorithms for yeast identification in different environments.

  6. ITER core imaging X-ray spectroscopy: Atomic physics issues

    NASA Astrophysics Data System (ADS)

    Beiersdorfer, P.; Clementson, J.; Widmann, K.; Bitter, M.; Hill, K. W.; Johnson, D.; Barnsley, R.; Chung, H. K.; Safronova, U. I.

    2017-03-01

    The Core Imaging X-Ray Spectrometer (CIXS) will be employed for measurements of the ion temperature and of the toroidal rotation velocity, Ti and vϕ, respectively, as a function of the radius of ITER plasmas. The diagnostic is based on precision determinations of the Doppler broadening, centroid shift, and intensity of the lines of highly ionized heavy impurities using a curved Bragg crystal spectral disperser and imager. The ions under consideration for the diagnostic are those of tungsten, krypton, xenon, iron, and argon. A detailed discussion is given of the need for atomic physics experiments and calculations involving the primary diagnostic lines and their collisional and dielectronic satellites. Such experiments and calculations define the instrument parameters, determine the diagnostic uncertainties, and provide paths for extending the diagnostic capabilities to measure impurity concentrations, electron temperature, and ion transport parameters. Enabling the diagnostic to measure radially dependent ion transport coefficients, in particular, requires a large amount of high-quality atomic data in the form of reliable excitation, ionization, and recombination rate coefficients as well as ionization balance calculations which make use of these data. Because core imaging spectrometers are being developed and implemented on present-day magnetic fusion devices, much of the atomic data are already needed and can be tested in the analysis of existing spectra recorded by these diagnostics.

  7. Discussion about modeling the effects of neutron flux exposure for nuclear reactor core analysis

    SciTech Connect

    Vondy, D.R.

    1986-04-01

    Methods used to calculate the effects of exposure to a neutron flux are described. The modeling of the nuclear-reactor core history presents an analysis challenge. The nuclide chain equations must be solved, and some of the methods in use for this are described. Techniques for treating reactor-core histories are discussed and evaluated.

  8. Optimize out-of-core thermionic energy conversion for nuclear electric propulsion

    NASA Technical Reports Server (NTRS)

    Morris, J. F.

    1977-01-01

    Current designs for out of core thermionic energy conversion (TEC) to power nuclear electric propulsion (NEP) were evaluated. Approaches to improve out of core TEC are emphasized and probabilities for success are indicated. TEC gains are available with higher emitter temperatures and greater power densities. Good potentialities for accommodating external high temperature, high power density TEC with heat pipe cooled reactors exist.

  9. The solid-core heat-exchanger nuclear rocket program

    SciTech Connect

    Malenfant, R.E.

    1994-12-31

    As measured by the results of its accomplishments, the nuclear rocket program was a success. Why, then, was it cancelled? In my opinion, the cancellation resulted from the success of the Apollo program. President Kennedy declared that putting a man on the moon by 1969 would be a national objective. Upon the Apollo program`s completion, space spectaculars lost their attraction, and the manned exploration of Mars, which could have been accomplished with nuclear rockets, was shelved. Perhaps another generation of physicists and engineers will experience the thrill and satisfaction of participating in a nuclear-propulsion-based program for space exploration in decades to come.

  10. Hollow core optical fibres made by glass billet extrusion as sensors for Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Tsiminis, G.; Schartner, E. P.; Hutchinson, M. R.; Ebendorff-Heidepriem, H.

    2016-12-01

    Optical fiber sensors for Raman spectroscopy based on hollow core optical fibers have shown great promise due to their low glass background, and high signal collection efficiency. We have previously demonstrated how glass billet extrusion can be used to make simplified hollow core fibers based on a single suspended ring. In this work we investigate the performance of these optical fibers as sensors for Raman spectroscopy. These fibers are used to excite samples at a range of laser excitation wavelengths to scan across the transmission profile of the optical fibers, allowing comparison of the performance of these fibers against commercially-available alternatives.

  11. Hanging core support system for a nuclear reactor. [LMFBR

    DOEpatents

    Burelbach, J.P.; Kann, W.J.; Pan, Y.C.; Saiveau, J.G.; Seidensticker, R.W.

    1984-04-26

    For holding the reactor core in the confining reactor vessel, a support is disclosed that is structurally independent of the vessel, that is dimensionally accurate and stable, and that comprises tandem tension linkages that act redundantly of one another to maintain stabilized core support even in the unlikely event of the complete failure of one of the linkages. The core support has a mounting platform for the reactor core, and unitary structure including a flange overlying the top edge of the reactor vessels, and a skirt and box beams between the flange and platform for establishing one of the linkages. A plurality of tension rods connect between the deck closing the reactor vessel and the platform for establishing the redundant linkage. Loaded Belleville springs flexibly hold the tension rods at the deck and separable bayonet-type connections hold the tension rods at the platform.

  12. System Design for a Nuclear Electric Spacecraft Utilizing Out-of-core Thermionic Conversion

    NASA Technical Reports Server (NTRS)

    Estabrook, W. C.; Phillips, W. M.; Hsieh, T.

    1976-01-01

    Basic guidelines are presented for a nuclear space power system which utilizes heat pipes to transport thermal power from a fast nuclear reactor to an out of core thermionic converter array. Design parameters are discussed for the nuclear reactor, heat pipes, thermionic converters, shields (neutron and gamma), waste heat rejection systems, and the electrical bus bar-cable system required to transport the high current/low voltage power to the processing equipment. Dimensions are compatible with shuttle payload bay constraints.

  13. Shape and topography corrections for planetary nuclear spectroscopy

    NASA Astrophysics Data System (ADS)

    Prettyman, Thomas H.; Hendricks, John S.

    2015-11-01

    The elemental composition of planetary surfaces can be determined using gamma ray and neutron spectroscopy. Most planetary bodies for which nuclear spectroscopy data have been acquired are round, and simple, analytic corrections for measurement geometry can be applied; however, recent measurements of the irregular asteroid 4 Vesta by Dawn required more detailed corrections using a shape model (Prettyman et al., Science 2012). In addition, subtle artifacts of topography have been observed in low altitude measurements of lunar craters, with potential implications for polar hydrogen content (Eke et al., JGR 2015). To explore shape and topography effects, we have updated the general-purpose Monte Carlo radiation transport code MCNPX to include a polygonal shape model (Prettyman and Hendricks, LPSC 2015). The shape model is fully integrated with the code’s 3D combinatorial geometry modules. A voxel-based acceleration algorithm enables fast ray-intersection calculations needed for Monte Carlo. As modified, MCNPX can model neutron and gamma ray transport within natural surfaces using global and/or regional shape/topography data (e.g. from photogrammetry and laser altimetry). We are using MCNPX to explore the effect of small-scale roughness, regional-, and global-topography for asteroids, comets and close-up measurements of high-relief features on larger bodies, such as the lunar surface. MCNPX can characterize basic effects on measurements by an orbiting spectrometer such as 1) the angular distribution of emitted particles, 2) shielding of galactic cosmic rays by surrounding terrain and 3) re-entrant scattering. In some cases, re-entrant scattering can be ignored, leading to a fast ray-tracing model that treats effects 1 and 2. The algorithm is applied to forward modeling and spatial deconvolution of epithermal neutron data acquired at Vesta. Analyses of shape/topography effects and correction strategies are presented for Vesta, selected small bodies and cratered

  14. Differential influence of instruments in nuclear core activity evaluation by data assimilation

    NASA Astrophysics Data System (ADS)

    Bouriquet, Bertrand; Argaud, Jean-Philippe; Erhard, Patrick; Massart, Sébastien; Ponçot, Angélique; Ricci, Sophie; Thual, Olivier

    2011-01-01

    The global neutronic activity fields of a nuclear core can be reconstructed using data assimilation. Indeed, data assimilation allows to combine both measurements from instruments and information from a model, to evaluate the best possible neutronic activity within the core. We present and apply a specific procedure which evaluates the influence of measures by adding or removing instruments in a given measurement network (possibly empty). The study of various network configurations for the instruments in the nuclear core establishes that the influence of the instruments depends both on the independent instrumentation location and on the chosen network.

  15. 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.

  16. Accelerator-driven subcritical fission in molten salt core: Closing the nuclear fuel cycle for green nuclear energy

    SciTech Connect

    McIntyre, Peter; Assadi, Saeed; Badgley, Karie; Baker, William; Comeaux, Justin; Gerity, James; Kellams, Joshua; McInturff, Al; Pogue, Nathaniel; Sattarov, Akhdiyor; Sooby, Elizabeth; Tsvetkov, Pavel; Phongikaroon, Supathorn; Simpson, Michael

    2013-04-19

    A technology for accelerator-driven subcritical fission in a molten salt core (ADSMS) is being developed as a basis for the destruction of the transuranics in used nuclear fuel. The molten salt fuel is a eutectic mixture of NaCl and the chlorides of the transuranics and fission products. The core is driven by proton beams from a strong-focusing cyclotron stack. This approach uniquely provides an intrinsically safe means to drive a core fueled only with transuranics, thereby eliminating competing breeding terms.

  17. Hanging core support system for a nuclear reactor

    DOEpatents

    Burelbach, James P.; Kann, William J.; Pan, Yen-Cheng; Saiveau, James G.; Seidensticker, Ralph W.

    1987-01-01

    For holding the reactor core in the confining reactor vessel, a support is disclosed that is structurally independent of the vessel, that is dimensionally accurate and stable, and that comprises tandem tension linkages that act redundantly of one another to maintain stabilized core support even in the unlikely event of the complete failure of one of the linkages. The core support has a mounting platform for the reactor core, and unitary structure including a flange overlying the top edge of the reactor vessels, and a skirt and box beams between the flange and platform for establishing one of the linkages. A plurality of tension rods connect between the deck closing the reactor vessel and the platform for establishing the redundant linkage. Loaded Belleville springs flexibly hold the tension rods at the deck and separable bayonet-type connections hold the tension rods at the platform. Motion or radiation sensing detectors can be provide at the lower ends of the tension rods for obtaining pertinent readings proximate the core.

  18. TOPICAL REVIEW: Spatial localization in nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Keevil, Stephen F.

    2006-08-01

    The ability to select a discrete region within the body for signal acquisition is a fundamental requirement of in vivo NMR spectroscopy. Ideally, it should be possible to tailor the selected volume to coincide exactly with the lesion or tissue of interest, without loss of signal from within this volume or contamination with extraneous signals. Many techniques have been developed over the past 25 years employing a combination of RF coil properties, static magnetic field gradients and pulse sequence design in an attempt to meet these goals. This review presents a comprehensive survey of these techniques, their various advantages and disadvantages, and implications for clinical applications. Particular emphasis is placed on the reliability of the techniques in terms of signal loss, contamination and the effect of nuclear relaxation and J-coupling. The survey includes techniques based on RF coil and pulse design alone, those using static magnetic field gradients, and magnetic resonance spectroscopic imaging. Although there is an emphasis on techniques currently in widespread use (PRESS, STEAM, ISIS and MRSI), the review also includes earlier techniques, in order to provide historical context, and techniques that are promising for future use in clinical and biomedical applications.

  19. Gas core nuclear thermal rocket engine research and development in the former USSR

    SciTech Connect

    Koehlinger, M.W.; Bennett, R.G.; Motloch, C.G.; Gurfink, M.M.

    1992-09-01

    Beginning in 1957 and continuing into the mid 1970s, the USSR conducted an extensive investigation into the use of both solid and gas core nuclear thermal rocket engines for space missions. During this time the scientific and engineering. problems associated with the development of a solid core engine were resolved. At the same time research was undertaken on a gas core engine, and some of the basic engineering problems associated with the concept were investigated. At the conclusion of the program, the basic principles of the solid core concept were established. However, a prototype solid core engine was not built because no established mission required such an engine. For the gas core concept, some of the basic physical processes involved were studied both theoretically and experimentally. However, no simple method of conducting proof-of-principle tests in a neutron flux was devised. This report focuses primarily on the development of the. gas core concept in the former USSR. A variety of gas core engine system parameters and designs are presented, along with a summary discussion of the basic physical principles and limitations involved in their design. The parallel development of the solid core concept is briefly described to provide an overall perspective of the magnitude of the nuclear thermal propulsion program and a technical comparison with the gas core concept.

  20. Deflection Measurements of a Thermally Simulated Nuclear Core Using a High-Resolution CCD-Camera

    NASA Technical Reports Server (NTRS)

    Stanojev, B. J.; Houts, M.

    2004-01-01

    Space fission systems under consideration for near-term missions all use compact. fast-spectrum reactor cores. Reactor dimensional change with increasing temperature, which affects neutron leakage. is the dominant source of reactivity feedback in these systems. Accurately measuring core dimensional changes during realistic non-nuclear testing is therefore necessary in predicting the system nuclear equivalent behavior. This paper discusses one key technique being evaluated for measuring such changes. The proposed technique is to use a Charged Couple Device (CCD) sensor to obtain deformation readings of electrically heated prototypic reactor core geometry. This paper introduces a technique by which a single high spatial resolution CCD camera is used to measure core deformation in Real-Time (RT). Initial system checkout results are presented along with a discussion on how additional cameras could be used to achieve a three- dimensional deformation profile of the core during test.

  1. Nuclear forward and inelastic spectroscopy on 125Te and Sb2125 Te3

    NASA Astrophysics Data System (ADS)

    Wille, H.-C.; Hermann, R. P.; Sergueev, I.; Pelzer, U.; Möchel, A.; Claudio, T.; Perßon, J.; Rüffer, R.; Said, A.; Shvyd'ko, Yu. V.

    2010-09-01

    We report on the observation of nuclear forward and nuclear inelastic scattering of synchrotron radiation by 125Te and the application of both spectroscopic methods to tellurium compounds by using a high-resolution backscattering sapphire monochromator in combination with fast detection electronics. The lifetime of the nuclear resonance and the energy of the transition were determined to be 2.131(12) ns and 35493.12(30) eV, respectively. As applications, the nuclear inelastic spectrum in Sb2Te3 and the nuclear forward scattering by Te metal were measured. These measurements open the field of nuclear resonance spectroscopy on tellurium compounds such as thermoelectric and superconducting materials.

  2. The principles of infrared-x-ray pump-probe spectroscopy. Applications on proton transfer in core-ionized water dimers.

    PubMed

    Felicíssimo, V C; Guimarães, F F; Gel'mukhanov, F; Cesar, A; Agren, H

    2005-03-01

    In this paper we derive the basic physics underlying infrared-x-ray pump-probe spectroscopy (IR, infrared). Particular features of the spectroscopy are highlighted and discussed, such as dependence on phase of the infrared pulse, duration and delay time of the x-ray pulse, and molecular orientation. Numerical applications are carried out for the water dimer using wave packet techniques. It is shown that core ionization of the donor oxygen of the water dimer results in a drastic change of the potential with the global minimum placed in the proton transfer region. The results of the modeling indicate that IR-x-ray pump-probe spectroscopy can be used to study the dynamics of proton transfer in this core-ionized state, and that, contrary to conventional core level photoelectron spectroscopy, x-ray core-ionization driven by an IR field is a proper method to explore the proton transfer in a system like the water dimer. We observe that the trajectory of the nuclear wave packet in the ground state potential well is strongly affected by the absolute phase of the IR pulse.

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

    PubMed

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

    2015-11-04

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

  4. Spectroscopy of colloidal semiconductor core/shell nanoplatelets with high quantum yield.

    PubMed

    Tessier, M D; Mahler, B; Nadal, B; Heuclin, H; Pedetti, S; Dubertret, B

    2013-07-10

    Free standing two-dimensional materials appear as a novel class of structures. Recently, the first colloidal two-dimensional heterostructures have been synthesized. These core/shell nanoplatelets are the first step toward colloidal quantum wells. Here, we study in detail the spectroscopic properties of this novel generation of colloidal nanoparticles. We show that core/shell CdSe/CdZnS nanoplatelets with 80% quantum yield can be obtained. The emission time trace of single core/shell nanoplatelets exhibits reduced blinking compared to core nanoplatelets with a two level emission time trace. At cryogenic temperatures, these nanoplatelets have a quantum yield close to 100% and a stable emission time trace. A solution of core/shell nanoplatelets has emission spectra with a full width half-maximum close to 20 nm, a value much lower than corresponding spherical or rod-shaped heterostructures. Using single particle spectroscopy, we show that the broadening of the emission spectra upon the shell deposition is not due to dispersity between particles but is related to an intrinsic increased exciton-phonon coupling in the shell. We also demonstrate that optical spectroscopy is a relevant tool to investigate the presence of traps induced by shell deposition. The spectroscopic properties of the core/shell nanoplatelets presented here strongly suggest that this new generation of objects will be an interesting alternative to spherical or rod-shaped nanocrystals.

  5. A Multidisciplinary Approach to High Throughput Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Pourmodheji, Hossein; Ghafar-Zadeh, Ebrahim; Magierowski, Sebastian

    2016-06-09

    Nuclear Magnetic Resonance (NMR) is a non-contact, powerful structure-elucidation technique for biochemical analysis. NMR spectroscopy is used extensively in a variety of life science applications including drug discovery. However, existing NMR technology is limited in that it cannot run a large number of experiments simultaneously in one unit. Recent advances in micro-fabrication technologies have attracted the attention of researchers to overcome these limitations and significantly accelerate the drug discovery process by developing the next generation of high-throughput NMR spectrometers using Complementary Metal Oxide Semiconductor (CMOS). In this paper, we examine this paradigm shift and explore new design strategies for the development of the next generation of high-throughput NMR spectrometers using CMOS technology. A CMOS NMR system consists of an array of high sensitivity micro-coils integrated with interfacing radio-frequency circuits on the same chip. Herein, we first discuss the key challenges and recent advances in the field of CMOS NMR technology, and then a new design strategy is put forward for the design and implementation of highly sensitive and high-throughput CMOS NMR spectrometers. We thereafter discuss the functionality and applicability of the proposed techniques by demonstrating the results. For microelectronic researchers starting to work in the field of CMOS NMR technology, this paper serves as a tutorial with comprehensive review of state-of-the-art technologies and their performance levels. Based on these levels, the CMOS NMR approach offers unique advantages for high resolution, time-sensitive and high-throughput bimolecular analysis required in a variety of life science applications including drug discovery.

  6. A Multidisciplinary Approach to High Throughput Nuclear Magnetic Resonance Spectroscopy

    PubMed Central

    Pourmodheji, Hossein; Ghafar-Zadeh, Ebrahim; Magierowski, Sebastian

    2016-01-01

    Nuclear Magnetic Resonance (NMR) is a non-contact, powerful structure-elucidation technique for biochemical analysis. NMR spectroscopy is used extensively in a variety of life science applications including drug discovery. However, existing NMR technology is limited in that it cannot run a large number of experiments simultaneously in one unit. Recent advances in micro-fabrication technologies have attracted the attention of researchers to overcome these limitations and significantly accelerate the drug discovery process by developing the next generation of high-throughput NMR spectrometers using Complementary Metal Oxide Semiconductor (CMOS). In this paper, we examine this paradigm shift and explore new design strategies for the development of the next generation of high-throughput NMR spectrometers using CMOS technology. A CMOS NMR system consists of an array of high sensitivity micro-coils integrated with interfacing radio-frequency circuits on the same chip. Herein, we first discuss the key challenges and recent advances in the field of CMOS NMR technology, and then a new design strategy is put forward for the design and implementation of highly sensitive and high-throughput CMOS NMR spectrometers. We thereafter discuss the functionality and applicability of the proposed techniques by demonstrating the results. For microelectronic researchers starting to work in the field of CMOS NMR technology, this paper serves as a tutorial with comprehensive review of state-of-the-art technologies and their performance levels. Based on these levels, the CMOS NMR approach offers unique advantages for high resolution, time-sensitive and high-throughput bimolecular analysis required in a variety of life science applications including drug discovery. PMID:27294925

  7. (129)I record of nuclear activities in marine sediment core from Jiaozhou Bay in China.

    PubMed

    Fan, Yukun; Hou, Xiaolin; Zhou, Weijian; Liu, Guangshan

    2016-04-01

    Iodine-129 has been used as a powerful tool for environmental tracing of human nuclear activities. In this work, a sediment core collected from Jiaozhou Bay, the east coast of China, in 2002 was analyzed for (129)I to investigate the influence of human nuclear activities in this region. Significantly enhanced (129)I level was observed in upper 70 cm of the sediment core, with peak values in the layer corresponding to 1957, 1964, 1974, 1986, and after 1990. The sources of (129)I and corresponding transport processes in this region are discussed, including nuclear weapons testing at the Pacific Proving Grounds, global fallout from a large numbers of nuclear weapon tests in 1963, the climax of Chinese nuclear weapons testing in the early 1970s, the Chernobyl accident in 1986, and long-distance dispersion of European reprocessing derived (129)I. The very well (129)I records of different human nuclear activities in the sediment core illustrate the potential application of (129)I in constraining ages and sedimentation rates of the recent sediment. The releases of (129)I from the European nuclear fuel reprocessing plants at La Hague (France) and Sellafield (UK) were found to dominate the inventory of (129)I in the Chinese sediments after 1990, not only the directly atmospheric releases of these reprocessing plants, but also re-emission of marine discharged (129)I of these reprocessing plants in the highly contaminated European seas.

  8. Feasibility study on nuclear core design for soluble boron free small modular reactor

    SciTech Connect

    Rabir, Mohamad Hairie Hah, Chang Joo; Ju, Cho Sung

    2015-04-29

    A feasibility study on nuclear core design of soluble boron free (SBF) core for small size (150MWth) small modular reactor (SMR) was investigated. The purpose of this study was to design a once through cycle SMR core, where it can be used to supply electricity to a remote isolated area. PWR fuel assembly design with 17×17 arrangement, with 264 fuel rods per assembly was adopted as the basis design. The computer code CASMO-3/MASTER was used for the search of SBF core and fuel assembly analysis for SMR design. A low critical boron concentration (CBC) below 200 ppm core with 4.7 years once through cycle length was achieved using 57 fuel assemblies having 170 cm of active height. Core reactivity controlled using mainly 512 number of 4 wt% and 960 12 wt% Gd rods.

  9. Application of gaseous core reactors for transmutation of nuclear waste

    NASA Technical Reports Server (NTRS)

    Schnitzler, B. G.; Paternoster, R. R.; Schneider, R. T.

    1976-01-01

    An acceptable management scheme for high-level radioactive waste is vital to the nuclear industry. The hazard potential of the trans-uranic actinides and of key fission products is high due to their nuclear activity and/or chemical toxicity. Of particular concern are the very long-lived nuclides whose hazard potential remains high for hundreds of thousands of years. Neutron induced transmutation offers a promising technique for the treatment of problem wastes. Transmutation is unique as a waste management scheme in that it offers the potential for "destruction" of the hazardous nuclides by conversion to non-hazardous or more manageable nuclides. The transmutation potential of a thermal spectrum uranium hexafluoride fueled cavity reactor was examined. Initial studies focused on a heavy water moderated cavity reactor fueled with 5% enriched U-235-F6 and operating with an average thermal flux of 6 times 10 to the 14th power neutrons/sq cm-sec. The isotopes considered for transmutation were I-129, Am-241, Am-242m, Am-243, Cm-243, Cm-244, Cm-245, and Cm-246.

  10. The open-cycle gas-core nuclear rocket engine - Some engineering considerations.

    NASA Technical Reports Server (NTRS)

    Taylor, M. F.; Whitmarsh, C. L., Jr.; Sirocky, P. J., Jr.; Iwanczyk, L. C.

    1971-01-01

    A preliminary design study of a conceptual 6000-MW open-cycle gas-core nuclear rocket engine system was made. The engine has a thrust of 44,200 lb and a specific impulse of 4400 sec. The nuclear fuel is uranium-235 and the propellant is hydrogen. Critical fuel mass was calculated for several reactor configurations. Major components of the reactor (reflector, pressure vessel) and the waste heat rejection system were considered conceptually and were sized.

  11. Hollow Core Fiber Optics for Mid-Wave and Long-Wave Infrared Spectroscopy

    SciTech Connect

    Kriesel, J.M.; Gat, N.; Bernacki, Bruce E.; Erikson, Rebecca L.; Cannon, Bret D.; Myers, Tanya L.; Bledt, Carlos M.; Harrington, J. A.

    2011-06-01

    The development and testing of hollow core glass waveguides (i.e., fiber optics) for use in Long-Wave Infrared (LWIR) spectroscopy systems is described. LWIR fiber optics are a key enabling technology needed to improve the utility and effectiveness of trace chemical detection systems based in the 8 to 12 micron region. This paper focuses on recent developments in hollow waveguide technology geared specifically for LWIR spectroscopy, including a reduction in both the length dependent loss and the bending loss while maintaining relatively high beam quality. Results will be presented from tests conducted with a Quantum Cascade Laser.

  12. Imaging and spectroscopy of artificial-atom states in core/shell nanocrystal quantum dots.

    PubMed

    Millo, O; Katz, D; Cao, Y; Banin, U

    2001-06-18

    Current imaging scanning tunneling microscopy is used to observe the electronic wave functions in InAs/ZnSe core/shell nanocrystals. Images taken at a bias corresponding to the s conduction band state show that it is localized in the central core region, while images at higher bias probing the p state reveal that it extends to the shell. This is supported by optical and tunneling spectroscopy data demonstrating that the s-p gap closes upon shell growth. Shapes of the current images resemble atomlike envelope wave functions of the quantum dot calculated within a particle in a box model.

  13. X-ray absorption spectroscopy beyond the core-hole lifetime

    SciTech Connect

    Haemaelaeinen, K.; Hastings, J.B.; Siddons, D.P.; Berman, L.

    1992-01-01

    A new technique to overcome the core-hole lifetime broadening in x-ray absorption spectroscopy is presented. It utilizes a high resolution fluorescence spectrometer which can be used to analyze the fluorescence photon energy with better resolution than the natural lifetime width. Furthermore, the high resolution spectrometer can also be used to select the final state in the fluorescence process which can offer spin selectivity even without long range magnetic order in the sample.

  14. X-ray absorption spectroscopy beyond the core-hole lifetime

    SciTech Connect

    Haemaelaeinen, K.; Hastings, J.B.; Siddons, D.P.; Berman, L.

    1992-10-01

    A new technique to overcome the core-hole lifetime broadening in x-ray absorption spectroscopy is presented. It utilizes a high resolution fluorescence spectrometer which can be used to analyze the fluorescence photon energy with better resolution than the natural lifetime width. Furthermore, the high resolution spectrometer can also be used to select the final state in the fluorescence process which can offer spin selectivity even without long range magnetic order in the sample.

  15. Spring design for use in the core of a nuclear reactor

    DOEpatents

    Willard, Jr., H. James

    1993-01-01

    A spring design particularly suitable for use in the core of a nuclear reactor includes one surface having a first material oriented in a longitudinal direction, and another surface having a second material oriented in a transverse direction. The respective surfaces exhibit different amounts of irraditation induced strain.

  16. Liquid level, void fraction, and superheated steam sensor for nuclear-reactor cores. [PWR; BWR

    DOEpatents

    Tokarz, R.D.

    1981-10-27

    This disclosure relates to an apparatus for monitoring the presence of coolant in liquid or mixed liquid and vapor, and superheated gaseous phases at one or more locations within an operating nuclear reactor core, such as pressurized water reactor or a boiling water reactor.

  17. The electronic characterization of biphenylene—Experimental and theoretical insights from core and valence level spectroscopy

    SciTech Connect

    Lüder, Johann; Sanyal, Biplab; Eriksson, Olle; Brena, Barbara; Puglia, Carla; Simone, Monica de; Totani, Roberta; Coreno, Marcello; Grazioli, Cesare

    2015-02-21

    In this paper, we provide detailed insights into the electronic structure of the gas phase biphenylene molecule through core and valence spectroscopy. By comparing results of X-ray Photoelectron Spectroscopy (XPS) measurements with ΔSCF core-hole calculations in the framework of Density Functional Theory (DFT), we could decompose the characteristic contributions to the total spectra and assign them to non-equivalent carbon atoms. As a difference with similar molecules like biphenyl and naphthalene, an influence of the localized orbitals on the relative XPS shifts was found. The valence spectrum probed by photoelectron spectroscopy at a photon energy of 50 eV in conjunction with hybrid DFT calculations revealed the effects of the localization on the electronic states. Using the transition potential approach to simulate the X-ray absorption spectroscopy measurements, similar contributions from the non-equivalent carbon atoms were determined from the total spectrum, for which the slightly shifted individual components can explain the observed asymmetric features.

  18. A fusion-driven gas core nuclear rocket

    NASA Astrophysics Data System (ADS)

    Kammash, T.; Godfroy, T.

    1998-01-01

    A magnetic confinement scheme is investigated as a potential propulsion device in which thrust is generated by a propellant heated by radiation emanating from a fusion plasma. The device in question is the gasdynamic mirror (GDM) machine in which a hot dense plasma is confined long enough to generate fusion energy while allowing a certain fraction of its charged particle population to go through one end to a direct converter. The energy of these particles is converted into electric power which is recirculated to sustain the steady state operation of the system. The injected power heats the plasma to thermonuclear temperatures where the resulting fusion energy appears a charged particle power, neutron power, and radiated power in the form of bremsstrahlung and synchrotron radiation. The neutron power can be converted through a thermal converter to electric power that can be combined with the direct converter power before being fed into the injector. The radiated power, on the other hand, can be used to heat a hydrogen propellant introduced into the system at a specified pressure and mass flow rate. This propellant can be pre-heated by regeneratively cooling the (mirror) nozzle or other components of the system if feasible, or by an electrothermal unit powered by portions of the recirculated power. Using a simple heat transfer model that ignores the heat flux to the wall, and assuming total absorption of radiation energy by the propellant it is shown that such a gas core rocket is capable of producing tens of kilonewtons of thrust and several thousands of seconds of specific impulse. It is also shown that the familiar Kelvin-Helmholtz instability which arises from the relative motion of the neutral hydrogen to the ionized fuel is not likely to occur in this system due to the presence of the confining magnetic field.

  19. Self-assembled heterogeneous argon/neon core-shell clusters studied by photoelectron spectroscopy.

    PubMed

    Lundwall, M; Pokapanich, W; Bergersen, H; Lindblad, A; Rander, T; Ohrwall, G; Tchaplyguine, M; Barth, S; Hergenhahn, U; Svensson, S; Björneholm, O

    2007-06-07

    Clusters formed by a coexpansion process of argon and neon have been studied using synchrotron radiation. Electrons from interatomic Coulombic decay as well as ultraviolet and x-ray photoelectron spectroscopy were used to determine the heterogeneous nature of the clusters and the cluster structure. Binary clusters of argon and neon produced by coexpansion are shown to exhibit a core-shell structure placing argon in the core and neon in the outer shells. Furthermore, the authors show that 2 ML of neon on the argon core is sufficient for neon valence band formation resembling the neon solid. For 1 ML of neon the authors observe a bandwidth narrowing to about half of the bulk value.

  20. An improved heat transfer configuration for a solid-core nuclear thermal rocket engine

    NASA Technical Reports Server (NTRS)

    Clark, John S.; Walton, James T.; Mcguire, Melissa L.

    1992-01-01

    Interrupted flow, impingement cooling, and axial power distribution are employed to enhance the heat-transfer configuration of a solid-core nuclear thermal rocket engine. Impingement cooling is introduced to increase the local heat-transfer coefficients between the reactor material and the coolants. Increased fuel loading is used at the inlet end of the reactor to enhance heat-transfer capability where the temperature differences are the greatest. A thermal-hydraulics computer program for an unfueled NERVA reactor core is employed to analyze the proposed configuration with attention given to uniform fuel loading, number of channels through the impingement wafers, fuel-element length, mass-flow rate, and wafer gap. The impingement wafer concept (IWC) is shown to have heat-transfer characteristics that are better than those of the NERVA-derived reactor at 2500 K. The IWC concept is argued to be an effective heat-transfer configuration for solid-core nuclear thermal rocket engines.

  1. Dependence of weak interaction rates on the nuclear composition during stellar core collapse

    NASA Astrophysics Data System (ADS)

    Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Kato, Chinami; Yamada, Shoichi

    2017-02-01

    We investigate the influences of the nuclear composition on the weak interaction rates of heavy nuclei during the core collapse of massive stars. The nuclear abundances in nuclear statistical equilibrium (NSE) are calculated by some equation of state (EOS) models including in-medium effects on nuclear masses. We systematically examine the sensitivities of electron capture and neutrino-nucleus scattering on heavy nuclei to the nuclear shell effects and the single-nucleus approximation. We find that the washout of the shell effect at high temperatures brings significant change to weak rates by smoothing the nuclear abundance distribution: the electron capture rate decreases by ˜20 % in the early phase and increases by ˜40 % in the late phase at most, while the cross section for neutrino-nucleus scattering is reduced by ˜15 % . This is because the open-shell nuclei become abundant instead of those with closed neutron shells as the shell effects disappear. We also find that the single-nucleus description based on the average values leads to underestimations of weak rates. Electron captures and neutrino coherent scattering on heavy nuclei are reduced by ˜80 % in the early phase and by ˜5 % in the late phase, respectively. These results indicate that NSE like EOS accounting for shell washout is indispensable for the reliable estimation of weak interaction rates in simulations of core-collapse supernovae.

  2. Activation mechanism of the nuclear chaperone nucleoplasmin: role of the core domain.

    PubMed

    Bañuelos, Sonia; Hierro, Aitor; Arizmendi, Jesús M; Montoya, Guillermo; Prado, Adelina; Muga, Arturo

    2003-11-28

    Nucleoplasmin (NP) mediates nucleosome assembly by removing basic proteins from sperm chromatin and exchanging them with histones. This function is modulated by phosphorylation of NP at multiple sites. NP is pentameric, each monomer consisting of two domains: a core, which forms a stable ring-like pentamer, and a tail, that holds a polyglutamic tract and the nuclear localization signal. In the present study, we have explored the role of the core domain in the functionality of NP. Despite lacking the poly-Glu region, a putative binding site for basic proteins, the isolated core domain of the hyperphosphorylated protein isolated from eggs of Xenopus laevis is able to bind sperm basic proteins and decondense chromatin, in contrast to the inactive, non-phosphorylated recombinant core. This activity can be reproduced artificially in the recombinant core domain through mutation of putative phosphorylation sites to aspartate, thus mimicking the charge effect of phosphorylation. The mutated residues locate in flexible or loop regions exposed on the "distal face" of the core pentamer, where a short acidic region is also found, indicating that phosphorylation might activate the core domain of NP by generating a strong localized negative potential. Our results show that the phosphorylated core domain of NP is active in chromatin decondensation, thus it could contribute together with the poly-Glu containing tail in displaying a binding surface for sperm basic proteins on the NP pentamer.

  3. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    DOE PAGES

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; ...

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate amore » low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.« less

  4. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    SciTech Connect

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.

  5. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique `wagging' mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe-H moieties in other important natural and synthetic catalysts.

  6. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    PubMed Central

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-01-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging' mode involving H− motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H− binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts. PMID:26259066

  7. Delayed Gamma-ray Spectroscopy for Non-Destructive Assay of Nuclear Materials

    SciTech Connect

    Mozin, Vladimir; Ludewigt, Bernhard; Campbell, Luke; Favalli, Andrea; Hunt, Alan

    2014-10-09

    This project addresses the need for improved non-destructive assay techniques for quantifying the actinide composition of spent nuclear fuel and for the independent verification of declared quantities of special nuclear materials at key stages of the fuel cycle. High-energy delayed gamma-ray spectroscopy following neutron irradiation is a potential technique for directly assaying spent fuel assemblies and achieving the safeguards goal of quantifying nuclear material inventories for spent fuel handling, interim storage, reprocessing facilities, repository sites, and final disposal. Other potential applications include determination of MOX fuel composition, characterization of nuclear waste packages, and challenges in homeland security and arms control verification.

  8. Single hepatitis-B virus core capsid binding to individual nuclear pore complexes in Hela cells.

    PubMed

    Lill, Yoriko; Lill, Markus A; Fahrenkrog, Birthe; Schwarz-Herion, Kyrill; Paulillo, Sara; Aebi, Ueli; Hecht, Bert

    2006-10-15

    We investigate the interaction of hepatitis B virus capsids lacking a nuclear localization signal with nuclear pore complexes (NPCs) in permeabilized HeLa cells. Confocal and wide-field optical images of the nuclear envelope show well-spaced individual NPCs. Specific interactions of capsids with single NPCs are characterized by extended residence times of capsids in the focal volume which are characterized by fluorescence correlation spectroscopy. In addition, single-capsid-tracking experiments using fast wide-field fluorescence microscopy at 50 frames/s allow us to directly observe specific binding via a dual-color colocalization of capsids and NPCs. We find that binding occurs with high probability on the nuclear-pore ring moiety, at 44 +/- 9 nm radial distance from the central axis.

  9. Flowing gas, non-nuclear experiments on the gas core reactor

    NASA Technical Reports Server (NTRS)

    Kunze, J. F.; Cooper, C. G.; Macbeth, P. J.

    1973-01-01

    Variations in cavity wall and injection configurations of the gas core reactor were aimed at establishing flow patterns that give a maximum of the nuclear criticality eigenvalue. Correlation with the nuclear effect was made using multigroup diffusion theory normalized by previous benchmark critical experiments. Air was used to simulate the hydrogen propellant in the flow tests, and smoked air, argon, or Freon to simulate the central nuclear fuel gas. Tests were run both in the down-firing and upfiring directions. Results showed that acceptable flow patterns with volume fraction for the simulated nuclear fuel gas and high flow rate ratios of propellant to fuel can be obtained. Using a point injector for the fuel, good flow patterns are obtained by directing the outer gas at high velocity long the cavity wall, using louvered injection schemes. Recirculation patterns were needed to stabilize the heavy central gas when different gases are used.

  10. Nuclear structure of the transactinides - investigated by decay spectroscopy

    NASA Astrophysics Data System (ADS)

    Heßberger, Fritz Peter

    2016-12-01

    Superheavy elements owe their stability due to a subtle balance between the disruptive Coulomb force and the attractive nuclear forces. Thus they represent an ideal laboratory to study basic interactions. The essential tools are detailed investigations of radioactive decay properties and nuclear structure of superheavy nuclei. The results of those studies will deliver valuable input to improve theoretical models. To fulfill this demand conclusive data of high quality are necessary, which is presently not so easy to meet due to small production cross sections and technical limitations (beam intensities, detection probabilities). Possibilities and problems concerning extraction of decay properties and nuclear structure information on the basis of a low number of observed decay events will be discussed for three illustrative examples, 257Rf, 257Lr, and 288Fl.

  11. Determination of nuclear quadrupole moments – An example of the synergy of ab initio calculations and microwave spectroscopy

    SciTech Connect

    Kellö, Vladimir

    2015-01-22

    Highly correlated scalar relativistic calculations of electric field gradients at nuclei in diatomic molecules in combination with accurate nuclear quadrupole coupling constants obtained from microwave spectroscopy are used for determination of nuclear quadrupole moments.

  12. Development concept for a small, split-core, heat-pipe-cooled nuclear reactor

    NASA Technical Reports Server (NTRS)

    Lantz, E.; Breitwieser, R.; Niederauer, G. F.

    1974-01-01

    There have been two main deterrents to the development of semiportable nuclear reactors. One is the high development costs; the other is the inability to satisfy with assurance the questions of operational safety. This report shows how a split-core, heat-pipe cooled reactor could conceptually eliminate these deterrents, and examines and summarizes recent work on split-core, heat-pipe reactors. A concept for a small reactor that could be developed at a comparatively low cost is presented. The concept would extend the technology of subcritical radioisotope thermoelectric generators using 238 PuO2 to the evolution of critical space power reactors using 239 PuO2.

  13. Concepts in Biochemistry: Nuclear Magnetic Resonance Spectroscopy in Biochemistry.

    ERIC Educational Resources Information Center

    Cheatham, Steve

    1989-01-01

    Discusses the nature of a nuclear magnetic resonance (NMR) experiment, the techniques used, the types of structural and dynamic information obtained, and how one can view and refine structures using computer graphics techniques in combination with NMR data. Provides several spectra and a computer graphics image from B-form DNA. (MVL)

  14. Lamb-Dicke spectroscopy of atoms in a hollow-core photonic crystal fibre.

    PubMed

    Okaba, Shoichi; Takano, Tetsushi; Benabid, Fetah; Bradley, Tom; Vincetti, Luca; Maizelis, Zakhar; Yampol'skii, Valery; Nori, Franco; Katori, Hidetoshi

    2014-06-17

    Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom-atom and atom-wall interactions. This decoherence of atoms deteriorates the performance of atomic clocks and magnetometers, and also hinders their miniaturization. Here we report a novel platform for precision spectroscopy. Ultracold strontium atoms inside a kagome-lattice hollow-core photonic crystal fibre are transversely confined by an optical lattice to prevent atoms from interacting with the fibre wall. By confining at most one atom in each lattice site, to avoid atom-atom interactions and Doppler effect, a 7.8-kHz-wide spectrum is observed for the (1)S0-(3)P1(m=0) transition. Atoms singly trapped in a magic lattice in hollow-core photonic crystal fibres improve the optical depth while preserving atomic coherence time.

  15. Lamb-Dicke spectroscopy of atoms in a hollow-core photonic crystal fibre

    PubMed Central

    Okaba, Shoichi; Takano, Tetsushi; Benabid, Fetah; Bradley, Tom; Vincetti, Luca; Maizelis, Zakhar; Yampol'skii, Valery; Nori, Franco; Katori, Hidetoshi

    2014-01-01

    Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom–atom and atom–wall interactions. This decoherence of atoms deteriorates the performance of atomic clocks and magnetometers, and also hinders their miniaturization. Here we report a novel platform for precision spectroscopy. Ultracold strontium atoms inside a kagome-lattice hollow-core photonic crystal fibre are transversely confined by an optical lattice to prevent atoms from interacting with the fibre wall. By confining at most one atom in each lattice site, to avoid atom–atom interactions and Doppler effect, a 7.8-kHz-wide spectrum is observed for the 1S0−3P1(m=0) transition. Atoms singly trapped in a magic lattice in hollow-core photonic crystal fibres improve the optical depth while preserving atomic coherence time. PMID:24934478

  16. Probing inhomogeneous composition in core/shell nanowires by Raman spectroscopy

    SciTech Connect

    Amaduzzi, F.; Alarcón-Lladó, E.; Russo-Averchi, E.; Matteini, F.; Heiß, M.; Tütüncüoglu, G.; Conesa-Boj, S.; Fontcuberta i Morral, A.; Mata, M. de la; Arbiol, J.

    2014-11-14

    Due to its non-destructive and its micro-spatial resolution, Raman spectroscopy is a powerful tool for a rapid structural and compositional characterization of nanoscale materials. Here, by combining the compositional dependence of the Raman peaks with the existence of photonic modes in the nanowires, we address the composition inhomogeneities of Al{sub x}Ga{sub 1−x}As/GaAs core/shell structures. The experimental results are validated with complementary chemical composition maps of the nanowire cross-sections and finite-difference time-domain simulations of the photonic modes.

  17. Double-core-hole spectroscopy for chemical analysis with an intense X-ray femtosecond laser

    PubMed Central

    Berrah, Nora; Fang, Li; Murphy, Brendan; Osipov, Timur; Ueda, Kiyoshi; Kukk, Edwin; Feifel, Raimund; van der Meulen, Peter; Salen, Peter; Schmidt, Henning T.; Thomas, Richard D.; Larsson, Mats; Richter, Robert; Prince, Kevin C.; Bozek, John D.; Bostedt, Christoph; Wada, Shin-ichi; Piancastelli, Maria N.; Tashiro, Motomichi; Ehara, Masahiro

    2011-01-01

    Theory predicts that double-core-hole (DCH) spectroscopy can provide a new powerful means of differentiating between similar chemical systems with a sensitivity not hitherto possible. Although DCH ionization on a single site in molecules was recently measured with double- and single-photon absorption, double-core holes with single vacancies on two different sites, allowing unambiguous chemical analysis, have remained elusive. Here we report that direct observation of double-core holes with single vacancies on two different sites produced via sequential two-photon absorption, using short, intense X-ray pulses from the Linac Coherent Light Source free-electron laser and compare it with theoretical modeling. The observation of DCH states, which exhibit a unique signature, and agreement with theory proves the feasibility of the method. Our findings exploit the ultrashort pulse duration of the free-electron laser to eject two core electrons on a time scale comparable to that of Auger decay and demonstrate possible future X-ray control of physical inner-shell processes. PMID:21969540

  18. An assessment of coupling algorithms for nuclear reactor core physics simulations

    SciTech Connect

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; Pawlowski, Roger; Toth, Alex; Kelley, C.T.; Evans, Thomas; Philip, Bobby

    2016-04-15

    This paper evaluates the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss–Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton–Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product has been developed to mitigate the impact of expensive on-line cross section processing steps. Numerical simulations demonstrating the efficiency of JFNK and Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Both criticality (k-eigenvalue) and critical boron search problems are considered.

  19. An assessment of coupling algorithms for nuclear reactor core physics simulations

    DOE PAGES

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; ...

    2016-02-06

    This paper evaluates the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss–Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton–Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product has been developed to mitigate the impact of expensive on-line cross section processing steps. Furthermore, numerical simulations demonstrating the efficiency ofmore » JFNK and Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Both criticality (k-eigenvalue) and critical boron search problems are considered.« less

  20. Comparative assessment of out-of-core nuclear thermionic power systems

    NASA Technical Reports Server (NTRS)

    Estabrook, W. C.; Koenig, D. R.; Prickett, W. Z.

    1975-01-01

    The hardware selections available for fabrication of a nuclear electric propulsion stage for planetary exploration were explored. The investigation was centered around a heat-pipe-cooled, fast-spectrum nuclear reactor for an out-of-core power conversion system with sufficient detail for comparison with the in-core system studies completed previously. A survey of competing power conversion systems still indicated that the modular reliability of thermionic converters makes them the desirable choice to provide the 240-kWe end-of-life power for at least 20,000 full power hours. The electrical energy will be used to operate a number of mercury ion bombardment thrusters with a specific impulse in the range of about 4,000-5,000 seconds.

  1. An assessment of coupling algorithms for nuclear reactor core physics simulations

    SciTech Connect

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; Pawlowski, Roger; Toth, Alex; Kelley, C. T.; Evans, Thomas; Philip, Bobby

    2016-04-01

    Here we evaluate the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss–Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton–Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product was developed to mitigate the impact of expensive on-line cross section processing steps. Numerical simulations demonstrating the efficiency of JFNK and Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Finally, both criticality (k-eigenvalue) and critical boron search problems are considered.

  2. An assessment of coupling algorithms for nuclear reactor core physics simulations

    DOE PAGES

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; ...

    2016-04-01

    Here we evaluate the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss–Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton–Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product was developed to mitigate the impact of expensive on-line cross section processing steps. Numerical simulations demonstrating the efficiency of JFNK andmore » Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Finally, both criticality (k-eigenvalue) and critical boron search problems are considered.« less

  3. An assessment of coupling algorithms for nuclear reactor core physics simulations

    NASA Astrophysics Data System (ADS)

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; Pawlowski, Roger; Toth, Alex; Kelley, C. T.; Evans, Thomas; Philip, Bobby

    2016-04-01

    This paper evaluates the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss-Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton-Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product has been developed to mitigate the impact of expensive on-line cross section processing steps. Numerical simulations demonstrating the efficiency of JFNK and Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Both criticality (k-eigenvalue) and critical boron search problems are considered.

  4. An assessment of coupling algorithms for nuclear reactor core physics simulations

    SciTech Connect

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; Pawlowski, Roger; Toth, Alex; Kelley, C. T.; Evans, Thomas; Philip, Bobby

    2016-02-06

    This paper evaluates the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss–Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton–Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product has been developed to mitigate the impact of expensive on-line cross section processing steps. Furthermore, numerical simulations demonstrating the efficiency of JFNK and Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Both criticality (k-eigenvalue) and critical boron search problems are considered.

  5. Application of X-ray Absorption Spectroscopy to the study of nuclear structural materials

    NASA Astrophysics Data System (ADS)

    Liu, Shanshan

    One of key technologies for the next generation nuclear systems are advanced materials, including high temperature structural materials, fast neutron resistance core materials and so on. Local structure determination in these systems, which often are crystallographically intractable, is critical to gaining an understanding of their properties. In this thesis, X-ray Absorption Spectroscopy (XAS), including Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES), is used to examine the geometric and electronic structure of nuclear structural materials under varying conditions. The thesis is divided into two main sections. The first examines the structural analysis of nanostructured ferritic alloys (NFA) which are dispersion strengthened by an ultra high density of Y-Ti-O enriched nano-features, resulting in remarkable high temperature creep strength and radiation damage resistance. Titanium and Yttrium K-edge XAS shows commercial alloys MA957 and J12YWT more closely resemble the as received Fe-14Cr-3W-0.4Ti (wt. %) powders, and mechanically alloyed (MA) powders with 0.25Y2O3 (wt. %). It shows that a significant fraction of substitutional Ti remains dissolved in the (BCC) ferrite matrix. In contrast, annealed powders and hot isostatic press (HIP) consolidated alloys show high temperature heat treatments shift the Y and Ti to more oxidized states that are consistent with combinations of Y2Ti2O7 and, especially, TiO. The second section describes corrosion studies of Pb with 316L stainless steel, molybdenum and spinet (MgAl2O4) at high temperature by XAS. The corrosion of fuel cladding and structural materials by liquid lead at elevated temperatures is an issue that must be considered when designing advanced nuclear systems and high-power spallation neutron targets. The results of ex-situ studies show that a Mo substrate retained a smooth and less corroded surface than 316L stainless steel sample at elevated temperature. In

  6. Precision Nuclear Beta Spectroscopy as a Probe for BSM Physics

    NASA Astrophysics Data System (ADS)

    Sprow, Aaron

    2017-01-01

    The shape of nuclear beta decay spectra is sensitive to new physics such as scalar and tensor currents, and weak magnetism. By selecting an appropriate nuclear species, it is possible to disentangle these effects. 45Ca, which undergoes a predominantly Gamow-Teller transition with an end-point energy of 256 keV, is an excellent probe for tensor couplings. Recently, the 45Ca beta decay spectrum was measured in the Caltech/UCNA 4 π magnetic spectrometer instrumented with large, highly-pixelated Si detectors at the Los Alamos National Laboratory UCN facility. This detection system, in conjunction with an extremely thin foil source preparation, allows for a full reconstruction of events to build a precise spectrum. Preliminary results of the analysis of this data will be presented.

  7. In-reactor testing of the closed cycle gas core reactor: The Nuclear Light Bulb concept

    NASA Astrophysics Data System (ADS)

    Gauntt, R. O.; Slutz, S. A.; Harms, G. A.; Latham, T. S.; Roman, W. C.; Rodgers, R. J.

    1992-10-01

    The Nuclear Light Bulb (NLB) concept is an advanced closed cycle space propulsion rocket engine design that offers unprecidented performance characteristics in terms of specific impulse (greater than 1800 s) and thrust (greater than 445 kN). The NLB is a gas-core nuclear reactor making use of thermal radiation from a high temperature U-plasma core to heat the hydrogen propellant to very high temperatures (greater than 4000 K). Analyses performed in support of the design of in-reactor tests that are planned to be performed in the Annular Core Research Reactor (ACRR) at Sandia National Laboratories in order to demonstrate the technical feasibility of this advanced concept are described. The tests will examine the stability of a hydrodynamically confined fissioning U-plasma under steady and transient conditions. Testing will also involve study of propellant heating by thermal radiation from the plasma and materials performance in the nuclear environment of the NLB. The analyses presented include neutronic performance studies and U-plasma radiation heat-transport studies of small vortex-confined fissioning U-plasma experiments that are irradiated in the ACRE. These analyses indicate that high U-plasma temperatures (4000 to 9000 K) can be sustained in the ACRE for periods of time on the order of 5 to 20 s. These testing conditions are well suited to examine the stability and performance requirements necessary to demonstrate the feasibility of this concept.

  8. Design and Performance of South Ukraine Nuclear Power Plant Mixed Cores

    SciTech Connect

    Abdullayev, A. M.; Baydulin, V.; Zhukov, A. I.; Latorre, Richard

    2011-09-24

    In 2010, 42 Westinghouse fuel assemblies (WFAs) were loaded into the core of South Ukraine Nuclear Power Plant (SUNPP) Unit 3 after four successful cycles with 6 Westinghouse Lead Test Assemblies. The scope of safety substantiating documents required for the regulatory approval of this mixed core was extended considerably, particularly with development and implementation of new methodologies and 3-D kinetic codes. Additional verification for all employed codes was also performed. Despite the inherent hydraulic non-uniformity of a mixed core, it was possible to demonstrate that all design and operating restrictions for three different types of fuel (TVS-M, TVSA and WFA) loaded in the core were conservatively met. This paper provides the main results from the first year of operation of the core loaded with 42 WFAs, the predicted parameters for the transition and equilibrium cycles with WFAs, comparisons of predicted versus measured core parameters, as well as the acceptable margin evaluation results for reactivity accidents using the 3-D kinetic codes. To date WFA design parameters have been confirmed by operation experience.

  9. Benchmark Calculations for Reflector Effect in Fast Cores by Using the Latest Evaluated Nuclear Data Libraries

    NASA Astrophysics Data System (ADS)

    Fukushima, M.; Ishikawa, M.; Numata, K.; Jin, T.; Kugo, T.

    2014-04-01

    Benchmark calculations for reflector effects in fast cores were performed to validate the reliability of scattering data of structural materials in the major evaluated nuclear data libraries, JENDL-4.0, ENDF/B-VII.1 and JEFF-3.1.2. The criticalities of two FCA and two ZPR cores were analyzed by using a continuous energy Monte Carlo calculation code. The ratios of calculation to experimental values were compared between these cores and the sensitivity analyses were performed. From the results, the replacement reactivity from blanket to SS and Na reflector is better evaluated by JENDL-4.0 than by ENDF/B-VII.1 mainly due to the μbar values of Na and 52Cr.

  10. Design of a Resistively Heated Thermal Hydraulic Simulator for Nuclear Rocket Reactor Cores

    NASA Technical Reports Server (NTRS)

    Litchford, Ron J.; Foote, John P.; Ramachandran, Narayanan; Wang, Ten-See; Anghaie, Samim

    2007-01-01

    A preliminary design study is presented for a non-nuclear test facility which uses ohmic heating to replicate the thermal hydraulic characteristics of solid core nuclear reactor fuel element passages. The basis for this testing capability is a recently commissioned nuclear thermal rocket environments simulator, which uses a high-power, multi-gas, wall-stabilized constricted arc-heater to produce high-temperature pressurized hydrogen flows representative of reactor core environments, excepting radiation effects. Initially, the baseline test fixture for this non-nuclear environments simulator was configured for long duration hot hydrogen exposure of small cylindrical material specimens as a low cost means of evaluating material compatibility. It became evident, however, that additional functionality enhancements were needed to permit a critical examination of thermal hydraulic effects in fuel element passages. Thus, a design configuration was conceived whereby a short tubular material specimen, representing a fuel element passage segment, is surrounded by a backside resistive tungsten heater element and mounted within a self-contained module that inserts directly into the baseline test fixture assembly. With this configuration, it becomes possible to create an inward directed radial thermal gradient within the tubular material specimen such that the wall-to-gas heat flux characteristics of a typical fuel element passage are effectively simulated. The results of a preliminary engineering study for this innovative concept are fully summarized, including high-fidelity multi-physics thermal hydraulic simulations and detailed design features.

  11. Coupling Nuclear Induced Phonon Propagation with Conversion Electron Moessbauer Spectroscopy

    DTIC Science & Technology

    2015-06-18

    neodymium (Nd2Fe14B) bar was considered before the SS310 bar due to the magnetic properties of the material. The idea behind the consideration was...first to characterize the detector. The Mössbauer spectrum was acquired for an hour. Then, the magnetic Neodymium bar was placed with the feeler gauge...material to use would be Neodymium (Nd2Fe14B). This material contains a majority of iron for Mössbauer spectroscopy. Also, the material has boron

  12. Quanty for core level spectroscopy - excitons, resonances and band excitations in time and frequency domain

    NASA Astrophysics Data System (ADS)

    Haverkort, Maurits W.

    2016-05-01

    Depending on the material and edge under consideration, core level spectra manifest themselves as local excitons with multiplets, edge singularities, resonances, or the local projected density of states. Both extremes, i.e., local excitons and non-interacting delocalized excitations are theoretically well under control. Describing the intermediate regime, where local many body interactions and band-formation are equally important is a challenge. Here we discuss how Quanty, a versatile quantum many body script language, can be used to calculate a variety of different core level spectroscopy types on solids and molecules, both in the frequency as well as the time domain. The flexible nature of Quanty allows one to choose different approximations for different edges and materials. For example, using a newly developed method merging ideas from density renormalization group and quantum chemistry [1-3], Quanty can calculate excitons, resonances and band-excitations in x-ray absorption, photoemission, x-ray emission, fluorescence yield, non-resonant inelastic x-ray scattering, resonant inelastic x-ray scattering and many more spectroscopy types. Quanty can be obtained from: http://www.quanty.org.

  13. Quantitative Analysis of Nail Polish Remover Using Nuclear Magnetic Resonance Spectroscopy Revisited

    ERIC Educational Resources Information Center

    Hoffmann, Markus M.; Caccamis, Joshua T.; Heitz, Mark P.; Schlecht, Kenneth D.

    2008-01-01

    Substantial modifications are presented for a previously described experiment using nuclear magnetic resonance (NMR) spectroscopy to quantitatively determine analytes in commercial nail polish remover. The revised experiment is intended for a second- or third-year laboratory course in analytical chemistry and can be conducted for larger laboratory…

  14. The Sensitivity of Core-collapse Supernovae to Nuclear Electron Capture

    NASA Astrophysics Data System (ADS)

    Sullivan, Chris; O'Connor, Evan; Zegers, Remco G. T.; Grubb, Thomas; Austin, Sam M.

    2016-01-01

    A weak-rate library aimed at investigating the sensitivity of astrophysical environments to variations of electron-capture rates on medium-heavy nuclei has been developed. With this library, the sensitivity of the core-collapse and early post-bounce phases of core-collapse supernovae to nuclear electron capture is examined. The rates are adjusted by factors consistent with uncertainties indicated by comparing theoretical rates to those deduced from charge-exchange and β-decay measurements. To ensure a model-independent assessment, sensitivity studies across a comprehensive set of progenitors and equations of state are performed. We find a +16/-4% range in the mass of the inner core at shock formation and a ±20% range of peak {ν }e luminosity during the deleptonization burst. These ranges are five times as large as those seen from a separate progenitor study, where we evaluate the sensitivity of these parameters to 32 presupernova models. Additionally, the simulations are found to be more sensitive to a reduction in electron-capture rates than an enhancement, and specifically to the reduction in rates for neutron-rich nuclei near the N = 50 closed neutron shell. As measurements for medium-heavy (A\\gt 65) and neutron-rich nuclei are sparse, and because accurate theoretical models that account for nuclear structure considerations of individual nuclei are not readily available, rates for these nuclei may be overestimated. If more accurate estimates confirm this, results from this study indicate that significant changes to the core-collapse trajectory are expected. For this reason, experimental and theoretical efforts should focus on this region of the nuclear chart.

  15. One- and Two-Dimensional Nuclear Magnetic Resonance Spectroscopy with a Diamond Quantum Sensor

    NASA Astrophysics Data System (ADS)

    Boss, J. M.; Chang, K.; Armijo, J.; Cujia, K.; Rosskopf, T.; Maze, J. R.; Degen, C. L.

    2016-05-01

    We report on Fourier spectroscopy experiments performed with near-surface nitrogen-vacancy centers in a diamond chip. By detecting the free precession of nuclear spins rather than applying a multipulse quantum sensing protocol, we are able to unambiguously identify the NMR species devoid of harmonics. We further show that, by engineering different Hamiltonians during free precession, the hyperfine coupling parameters as well as the nuclear Larmor frequency can be selectively measured with up to five digits of precision. The protocols can be combined to demonstrate two-dimensional Fourier spectroscopy. Presented techniques will be useful for mapping nuclear coordinates in molecules deposited on diamond sensor chips, en route to imaging their atomic structure.

  16. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

    PubMed

    Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

    2016-02-19

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

  17. Nuclear Dynamical Correlation Effects in X-ray Spectroscopy from a Theoretical Time-Domain Perspective.

    PubMed

    Karsten, Sven; Ivanov, Sergei D; Aziz, Saadullah G; Bokarev, Sergey I; Kühn, Oliver

    2017-03-02

    To date X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we focus on nuclear dynamical correlation effects in X-ray spectra and develop a rigorous time-correlation function method employing ground state classical molecular dynamics simulations. The importance of nuclear correlation phenomena is demonstrated by comparison against the results from the conventional sampling approach performed on the same data set for gas phase water. In contrast to the first-order absorption, second-order resonant inelastic scattering spectra exhibit pronounced fingerprints of nuclear motions. The developed methodology is not biased to a particular electronic structure method and, owing to its generality, can be applied to, e.g., X-ray photoelectron and Auger spectroscopies.

  18. Nuclear Fission and Fission{minus}Product Spectroscopy: Second International Workshop. Proceedings

    SciTech Connect

    Fioni, G.; Faust, H.; Oberstedt, S.; Hambsch, F.

    1998-10-01

    These proceedings represent papers presented at the Second International Workshop on Nuclear Fission and Fission{minus}Product Spectroscopy held in Seyssins, France in April, 1998. The objective was to bring together the specialists in the field to overview the situation and to assess our present understanding of the fission process. The topics presented at the conference included nuclear waste management, incineration, neutron driven transmutation, leakage etc., radioactive beams, neutron{minus}rich nuclei, neutron{minus}induced and spontaneous fission, ternary fission phenomena, angular momentum, parity and time{minus}reversal phenomena, and nuclear fission at higher excitation energy. Modern spectroscopic tools for gamma spectroscopy as applied to fission were also discussed. There were 53 papers presented at the conference,out of which 3 have been abstracted for the Energy,Science and Technology database.(AIP)

  19. Nuclear spectroscopy with Geant4. The superheavy challenge

    NASA Astrophysics Data System (ADS)

    Sarmiento, Luis G.

    2016-12-01

    The simulation toolkit Geant4 was originally developed at CERN for high-energy physics. Over the years it has been established as a swiss army knife not only in particle physics but it has seen an accelerated expansion towards nuclear physics and more recently to medical imaging and γ- and ion- therapy to mention but a handful of new applications. The validity of Geant4 is vast and large across many particles, ions, materials, and physical processes with typically various different models to choose from. Unfortunately, atomic nuclei with atomic number Z > 100 are not properly supported. This is likely due to the rather novelty of the field, its comparably small user base, and scarce evaluated experimental data. To circumvent this situation different workarounds have been used over the years. In this work the simulation toolkit Geant4 will be introduced with its different components and the effort to bring the software to the heavy and superheavy region will be described.

  20. Evaluation for 4S core nuclear design method through integration of benchmark data

    SciTech Connect

    Nagata, A.; Tsuboi, Y.; Moriki, Y.; Kawashima, M.

    2012-07-01

    The 4S is a sodium-cooled small fast reactor which is reflector-controlled for operation through core lifetime about 30 years. The nuclear design method has been selected to treat neutron leakage with high accuracy. It consists of a continuous-energy Monte Carlo code, discrete ordinate transport codes and JENDL-3.3. These two types of neutronic analysis codes are used for the design in a complementary manner. The accuracy of the codes has been evaluated by analysis of benchmark critical experiments and the experimental reactor data. The measured data used for the evaluation is critical experimental data of the FCA XXIII as a physics mockup assembly of the 4S core, FCA XVI, FCA XIX, ZPR, and data of experimental reactor JOYO MK-1. Evaluated characteristics are criticality, reflector reactivity worth, power distribution, absorber reactivity worth, and sodium void worth. A multi-component bias method was applied, especially to improve the accuracy of sodium void reactivity worth. As the result, it has been confirmed that the 4S core nuclear design method provides good accuracy, and typical bias factors and their uncertainties are determined. (authors)

  1. New Approaches to Quantum Computing using Nuclear Magnetic Resonance Spectroscopy

    SciTech Connect

    Colvin, M; Krishnan, V V

    2003-02-07

    The power of a quantum computer (QC) relies on the fundamental concept of the superposition in quantum mechanics and thus allowing an inherent large-scale parallelization of computation. In a QC, binary information embodied in a quantum system, such as spin degrees of freedom of a spin-1/2 particle forms the qubits (quantum mechanical bits), over which appropriate logical gates perform the computation. In classical computers, the basic unit of information is the bit, which can take a value of either 0 or 1. Bits are connected together by logic gates to form logic circuits to implement complex logical operations. The expansion of modern computers has been driven by the developments of faster, smaller and cheaper logic gates. As the size of the logic gates become smaller toward the level of atomic dimensions, the performance of such a system is no longer considered classical but is rather governed by quantum mechanics. Quantum computers offer the potentially superior prospect of solving computational problems that are intractable to classical computers such as efficient database searches and cryptography. A variety of algorithms have been developed recently, most notably Shor's algorithm for factorizing long numbers into prime factors in polynomial time and Grover's quantum search algorithm. The algorithms that were of only theoretical interest as recently, until several methods were proposed to build an experimental QC. These methods include, trapped ions, cavity-QED, coupled quantum dots, Josephson junctions, spin resonance transistors, linear optics and nuclear magnetic resonance. Nuclear magnetic resonance (NMR) is uniquely capable of constructing small QCs and several algorithms have been implemented successfully. NMR-QC differs from other implementations in one important way that it is not a single QC, but a statistical ensemble of them. Thus, quantum computing based on NMR is considered as ensemble quantum computing. In NMR quantum computing, the spins with

  2. Method of using a nuclear magnetic resonance spectroscopy standard

    DOEpatents

    Spicer, Leonard D.; Bennett, Dennis W.; Davis, Jon F.

    1985-01-01

    (CH.sub.3).sub.3 SiNSO is produced by the reaction of ((CH.sub.3).sub.3 Si).sub.2 NH with SO.sub.2. Also produced in the reaction are ((CH.sub.3).sub.3 Si).sub.2 O and a new solid compound [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ]. Both (CH.sub.3).sub.3 SiNSO and [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] have fluorescent properties. The reaction of the subject invention is used in a method of measuring the concentration of SO.sub.2 pollutants in gases. By the method, a sample of gas is bubbled through a solution of ((CH.sub.3).sub.3 Si).sub.2 NH, whereby any SO.sub.2 present in the gas will react to produce the two fluorescent products. The measured fluorescence of these products can then be used to calculate the concentration of SO.sub.2 in the original gas sample. The solid product [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] may be used as a standard in solid state NMR spectroscopy, wherein the resonance peaks of either .sup.1 H, .sup.13 C, .sup.15 N, or .sup.29 Si may be used as a reference.

  3. Chemical structures in pyrodextrin determined by nuclear magnetic resonance spectroscopy.

    PubMed

    Bai, Yanjie; Shi, Yong-Cheng

    2016-10-20

    Glycosidic linkages in a pyrodextrin were identified by NMR spectroscopy for the first time. Pyrodextrin was prepared by slurrying waxy maize starch at pH 3, filtering and drying at 40°C to 10-15% moisture content, then heating at 170°C for 4h. (1)H and (13)C NMR resonances of the pyrodextrin were assigned with the assistance of 2D techniques including COSY, TOCSY, HSQC, and HMBC, all measured on a 500MHz instrument. During dextrinization, native waxy maize starch was hydrolyzed and extensively branched with new glycosidic linkages. The resulting pyrodextrin became 100% soluble in water and produced lower viscosity solutions at 30% solids. There were only 1.2% reducing ends (α-form) detected in the pyrodextrin, but 1,6-anhydro-β-d-glucopyranosyl units accounted for 5.2% of repeating units and they were thought to be at the potential reducing end. New glycosyl linkages including α-1,6, β-1,6, α-1,2, and β-1,2 were identified. The total non-α-1,4 linkages in the pyrodextrin were about 17.8% compared to 5.8% in a maltodextrin prepared by α-amylase digestion. Transglycosidation and depolymerization occurred during dextrinization, and the resulting pyrodextrin was highly branched.

  4. Conformational characterization of ceramides by nuclear magnetic resonance spectroscopy.

    PubMed Central

    Li, Li; Tang, Xiaoping; Taylor, K Grant; DuPré, Donald B; Yappert, M Cecilia

    2002-01-01

    Ceramide (Cer) has been identified as an active lipid second messenger in the regulation of cell growth, differentiation, and apoptosis. Its analog, dihydroceramide, without the 4 to 5 trans double bond in the sphingoid backbone lacks these biological effects. To establish the conformational features that distinguish ceramide from its analogs, nuclear magnetic resonance spectral data were acquired for diluted samples of ceramides (C2- and C18-Cer), dihydroceramide (C16-DHCer), and deoxydihydroceramide (C18-DODHCer). Our results suggest that in both C2- and C18-Cer, an H-bond network is formed in which the amide proton NH is donated to the OH groups on carbons C1 and C3 of the sphingosine backbone. Two tightly bound water molecules appear to stabilize this network by participating in flip-flop interactions with the hydroxyl groups. In DHCer, the lack of the trans double bond leads to a conformational distortion of this H-bonding motif. Without the critical double bond, the degree with which water molecules stabilize the H bonds between the two OH groups of the sphingolipid is reduced. This structural alteration might preclude the participation of DHCer in signaling-related interactions with cellular targets. PMID:11916863

  5. Instrumental correction of counting losses in nuclear pulse spectroscopy

    NASA Astrophysics Data System (ADS)

    Westphal, G. P.

    1985-05-01

    The virtual pulse generator (VPG) method of counting loss correction [1-3] is the first truly quantitative instrumental correction procedure taking into account both dead-time and pileup losses of a spectroscopy system over its full operative range of counting rates without the need for fast signal detection channels [4-6] or ambiguous post-processing of data [7,8], or the necessity to process artificial test pulses in addition to the detector signals [9]. Consequently, the VPG method is not limited in test frequency thus enabling the on-line generation of loss correction factors of sufficient statistical accuracy within extremely short periods of time. By adding weighting factors to the channels addressed by the analog-to-digital converter during the course of the measurement (instead of one as in conventional pulse height analysis) real-time correction of counting losses is made possible with millisecond time of response. Increased statistical accuracy may be achieved when using the VPG principle for loss-dependent prolonging of the measuring time similar to the live-time clock method. Both real-time and live-time modes of operation are provided for in a commercially available VPG correction module [10]. After a description of the set-up procedure of the module in connection with a likewise commercial semi-Gaussian shaping amplifier the performance of the VPG correction is exemplified to a level of 0.2% with the aid of repetitive two-source measurements in both the real-time and the live-time mode of operation.

  6. High-resolution optical spectroscopy in a hollow-core photonic crystal fiber

    NASA Astrophysics Data System (ADS)

    Perrella, C.; Light, P. S.; Stace, T. M.; Benabid, F.; Luiten, A. N.

    2012-01-01

    In this paper, we present detailed high-resolution spectroscopy of rubidium (Rb) vapor confined within a hollow-core photonic crystal fiber (HC-PCF). We find a very low level of additional frequency broadening associated with this confinement, with spectral features being only 1 MHz broader than the natural linewidth of the excited state. We show that this additional broadening is consistent solely with the atoms' transit across the fiber's optical mode. This low level of decoherence opens the door to a wide variety of applications including compact frequency standards and new types of quantum optical devices based on alkali-metal-loaded HC-PCFs. We highlight the low level of decoherence through observation of electromagnetically induced transparency in the confined vapor.

  7. Raman spectroscopy of GaP/GaNP core/shell nanowires

    SciTech Connect

    Dobrovolsky, A.; Chen, W. M.; Buyanova, I. A.; Sukrittanon, S.; Kuang, Y. J.; Tu, C. W.

    2014-11-10

    Raman spectroscopy is employed to characterize structural and phonon properties of GaP/GaNP core/shell nanowires (NWs) grown by molecular beam epitaxy on Si substrates. According to polarization-dependent measurements performed on single NWs, the dominant Raman modes associated with zone-center optical phonons obey selection rules in a zinc-blende lattice, confirming high crystalline quality of the NWs. Two additional modes at 360 and 397 cm{sup −1} that are specific to the NW architecture are also detected in resonant Raman spectra and are attributed to defect-activated scattering involving zone-edge transverse optical phonons and surface optical phonons, respectively. It is concluded that the formation of the involved defect states are mainly promoted during the NW growth with a high V/III ratio.

  8. Monitoring of heparin concentration in serum by Raman spectroscopy within hollow core photonic crystal fiber

    NASA Astrophysics Data System (ADS)

    Khetani, Altaf; Tiwari, Vidhu S.; Harb, Alaa; Anis, Hanan

    2011-08-01

    The feasibility of using hollow core photonic crystal fiber (HC-PCF) in conjunction with Raman spectroscopy has been explored for real time monitoring of heparin concentration in serum. Heparin is an important blood anti-coagulant whose precise monitoring and controlling in patients undergoing cardiac surgery and dialysis is of utmost importance. Our method of heparin monitoring offers a novel alternative to existing clinical procedures in terms of accuracy, response time and sample volume. The optical design configuration simply involves a 785-nm laser diode whose light is coupled into HC-PCF filled with heparin-serum mixtures. By non-selectively filling HC-PCF, a strong modal field overlap is obtained. Consequently, an enhanced Raman signal (>90 times) is obtained from various heparin-serum mixtures filled HC-PCFs compared to its bulk counterpart (cuvette). The present scheme has the potential to serve as a `generic biosensing tool' for diagnosing a wide range of biological samples.

  9. Analysis of ringing effects due to magnetic core materials in pulsed nuclear magnetic resonance circuits

    SciTech Connect

    Prabhu Gaunkar, N. Bouda, N. R. Y.; Nlebedim, I. C.; Hadimani, R. L.; Mina, M.; Jiles, D. C.; Bulu, I.; Ganesan, K.; Song, Y. Q.

    2015-05-07

    This work presents investigations and detailed analysis of ringing in a non-resonant pulsed nuclear magnetic resonance (NMR) circuit. Ringing is a commonly observed phenomenon in high power switching circuits. The oscillations described as ringing impede measurements in pulsed NMR systems. It is therefore desirable that those oscillations decay fast. It is often assumed that one of the causes behind ringing is the role of the magnetic core used in the antenna (acting as an inductive load). We will demonstrate that an LRC subcircuit is also set-up due to the inductive load and needs to be considered due to its parasitic effects. It is observed that the parasitics associated with the inductive load become important at certain frequencies. The output response can be related to the response of an under-damped circuit and to the magnetic core material. This research work demonstrates and discusses ways of controlling ringing by considering interrelationships between different contributing factors.

  10. Optimize out-of-core thermionic energy conversion for nuclear electric propulsion

    NASA Technical Reports Server (NTRS)

    Morris, J. F.

    1978-01-01

    Thermionic energy conversion (TEC) potentialities for nuclear electric propulsion (NEP) are examined. Considering current designs, their limitations, and risks raises critical questions about the use of TEC for NEP. Apparently a reactor cooled by hotter-than-1675 K heat pipes has good potentialities. TEC with higher temperatures and greater power densities than the currently proposed 1650 K, 5-to-6 W/sq cm version offers substantial gains. Other approaches to high-temperature electric isolation appear also promising. A high-power-density, high-temperature TEC for NEP appears, therefore, attainable. It is recommended to optimize out-of-core thermionic energy conversion for nuclear electric propulsion. Although current TEC designs for NEP seem unnecessary compared with Brayton versions, large gains are apparently possible with increased temperatures and greater power densities.

  11. Multiphysics Computational Analysis of a Solid-Core Nuclear Thermal Engine Thrust Chamber

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Canabal, Francisco; Cheng, Gary; Chen, Yen-Sen

    2007-01-01

    The objective of this effort is to develop an efficient and accurate computational heat transfer methodology to predict thermal, fluid, and hydrogen environments for a hypothetical solid-core, nuclear thermal engine - the Small Engine. In addition, the effects of power profile and hydrogen conversion on heat transfer efficiency and thrust performance were also investigated. The computational methodology is based on an unstructured-grid, pressure-based, all speeds, chemically reacting, computational fluid dynamics platform, while formulations of conjugate heat transfer were implemented to describe the heat transfer from solid to hydrogen inside the solid-core reactor. The computational domain covers the entire thrust chamber so that the afore-mentioned heat transfer effects impact the thrust performance directly. The result shows that the computed core-exit gas temperature, specific impulse, and core pressure drop agree well with those of design data for the Small Engine. Finite-rate chemistry is very important in predicting the proper energy balance as naturally occurring hydrogen decomposition is endothermic. Locally strong hydrogen conversion associated with centralized power profile gives poor heat transfer efficiency and lower thrust performance. On the other hand, uniform hydrogen conversion associated with a more uniform radial power profile achieves higher heat transfer efficiency, and higher thrust performance.

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

    SciTech Connect

    TonThat, Dinh M.

    1998-04-01

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

  13. 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.

  14. Nuclear Data Uncertainties for Typical LWR Fuel Assemblies and a Simple Reactor Core

    NASA Astrophysics Data System (ADS)

    Rochman, D.; Leray, O.; Hursin, M.; Ferroukhi, H.; Vasiliev, A.; Aures, A.; Bostelmann, F.; Zwermann, W.; Cabellos, O.; Diez, C. J.; Dyrda, J.; Garcia-Herranz, N.; Castro, E.; van der Marck, S.; Sjöstrand, H.; Hernandez, A.; Fleming, M.; Sublet, J.-Ch.; Fiorito, L.

    2017-01-01

    The impact of the current nuclear data library covariances such as in ENDF/B-VII.1, JEFF-3.2, JENDL-4.0, SCALE and TENDL, for relevant current reactors is presented in this work. The uncertainties due to nuclear data are calculated for existing PWR and BWR fuel assemblies (with burn-up up to 40 GWd/tHM, followed by 10 years of cooling time) and for a simplified PWR full core model (without burn-up) for quantities such as k∞, macroscopic cross sections, pin power or isotope inventory. In this work, the method of propagation of uncertainties is based on random sampling of nuclear data, either from covariance files or directly from basic parameters. Additionally, possible biases on calculated quantities are investigated such as the self-shielding treatment. Different calculation schemes are used, based on CASMO, SCALE, DRAGON, MCNP or FISPACT-II, thus simulating real-life assignments for technical-support organizations. The outcome of such a study is a comparison of uncertainties with two consequences. One: although this study is not expected to lead to similar results between the involved calculation schemes, it provides an insight on what can happen when calculating uncertainties and allows to give some perspectives on the range of validity on these uncertainties. Two: it allows to dress a picture of the state of the knowledge as of today, using existing nuclear data library covariances and current methods.

  15. Nuclear structure and the fate of core collapse (Type II) supernova

    NASA Astrophysics Data System (ADS)

    Gai, Moshe

    2014-08-01

    For a long time Gerry Brown and his collaborator Hans Bethe considered the question of the final fate of a core collapse (Type II) supernova. Recalling ideas from nuclear structure on Kaon condensate and a soft equation of state of the dense nuclear matter they concluded that progenitor stars with mass as low as 17-18M⊙ (including supernova 1987A) could collapse to a small mass black hole with a mass just beyond 1.5M⊙, the upper bound they derive for a neutron star. We discuss another nuclear structure effect that determines the carbon to oxygen ratio (C/O) at the end of helium burning. This ratio also determines the fate of a Type II supernova with a carbon rich progenitor star producing a neutron star and oxygen rich collapsing to a black hole. While the C/O ratio is one of the most important nuclear inputs to stellar evolution it is still not known with sufficient accuracy. We discuss future efforts to measure with gamma-beam and TPC detector of the C12(α,γ)O16 reaction that determines the C/O ratio in stellar helium burning.

  16. FORMATION AND EVOLUTION OF NUCLEAR STAR CLUSTERS WITH IN SITU STAR FORMATION: NUCLEAR CORES AND AGE SEGREGATION

    SciTech Connect

    Aharon, Danor; Perets, Hagai B.

    2015-02-01

    Nuclear stellar cluster (NSCs) are known to exist around massive black holes (MBHs) in galactic nuclei. Two formation scenarios were suggested for their origin: (1) buildup of NSCs from consecutive infall of stellar clusters and (2) continuous in situ star formation. Though the cluster infall scenario has been extensively studied, the in situ formation scenario has been hardly explored. Here we use Fokker-Planck (FP) calculations to study the effects of star formation on the buildup of NSCs and its implications for their long-term evolution and their resulting structure. We use the FP equation to describe the evolution of stellar populations and add appropriate source terms to account for the effects of newly formed stars. We show that continuous star formation even 1-2 pc away from the MBH can lead to the buildup of an NSC with properties similar to those of the Milky Way NSC. We find that the structure of the old stellar population in the NSC with in situ star formation could be very similar to the steady-state Bahcall-Wolf cuspy structure. However, its younger populations do not yet achieve a steady state. In particular, formed/evolved NSCs with in situ star formation contain differential age-segregated stellar populations that are not yet fully mixed. Younger stellar populations formed in the outer regions of the NSC have a cuspy structure toward the NSC outskirts, while showing a core-like distribution inward, with younger populations having larger core sizes. In principal, such a structure can give rise to an apparent core-like radial distribution of younger stars, as observed in the Galactic center.

  17. A high etendue spectrometer suitable for core charge eXchange recombination spectroscopy on ITER

    SciTech Connect

    Jaspers, R. J. E.; Scheffer, M.; Kappatou, A.; Valk, N. C. J. van der; Durkut, M.; Snijders, B.; Marchuk, O.; Biel, W.; Pokol, G. I.; Erdei, G.; Zoletnik, S.; Dunai, D.

    2012-10-15

    A feasibility study for the use of core charge exchange recombination spectroscopy on ITER has shown that accurate measurements on the helium ash require a spectrometer with a high etendue of 1mm{sup 2}sr to comply with the measurement requirements [S. Tugarinov et al., Rev. Sci. Instrum. 74, 2075 (2003)]. To this purpose such an instrument has been developed consisting of three separate wavelength channels (to measure simultaneously He/Be, C/Ne, and H/D/T together with the Doppler shifted direct emission of the diagnostic neutral beam, the beam emission (BES) signal), combining high dispersion (0.02 nm/pixel), sufficient resolution (0.2 nm), high efficiency (55%), and extended wavelength range (14 nm) at high etendue. The combined measurement of the BES along the same sightline within a third wavelength range provides the possibility for in situ calibration of the charge eXchange recombination spectroscopy signals. In addition, the option is included to use the same instrument for measurements of the fast fluctuations of the beam emission intensity up to 2 MHz, with the aim to study MHD activity.

  18. Scientific opportunities in nuclear resonance spectroscopy from source-driven revolution.

    SciTech Connect

    Shenoy, G. K.; Rohlsberger, R.; X-Ray Science Division; DESY

    2008-02-01

    From the beginning of its discovery the Moessbauer effect has continued to be one of the most powerful tools with broad applications in diverse areas of science and technology. With the advent of synchrotron radiation sources such as the Advanced Photon Source (APS), the European Synchrotron Radiation Facility (ESRF) and the Super Photon Ring-8 (SPring-8), the tool has enlarged its scope and delivered new capabilities. The popular techniques most generally used in the field of materials physics, chemical physics, geoscience, and biology are hyperfine spectroscopy via elastic nuclear forward scattering (NFS), vibrational spectroscopy via nuclear inelastic scattering (NRIXS), and, to a lesser extent, diffusional dynamics from quasielastic nuclear forward scattering (QNFS). As we look ahead, new storage rings with enhanced brilliance such as PETRA-III under construction at DESY, Hamburg, and PEP-III in its early design stage at SLAC, Stanford, will provide new and unique science opportunities. In the next two decades, x-ray free-electron lasers (XFELs), based both on self-amplified spontaneous emission (SASE-XFELs) and a seed (SXFELs), with unique time structure, coherence and a five to six orders higher average brilliance will truly revolutionize nuclear resonance applications in a major way. This overview is intended to briefly address the unique radiation characteristics of new sources on the horizon and to provide a glimpse of scientific prospects and dreams in the nuclear resonance field from the new radiation sources. We anticipate an expanded nuclear resonance research activity with applications such as spin and phonon mapping of a single nanostructure and their assemblies, interfaces, and surfaces; spin dynamics; nonequilibrium dynamics; photochemical reactions; excited-state spectroscopy; and nonlinear phenomena.

  19. Lunar Nuclear Power Plant With Solid Core Reactor, Heatpipes and Thermoelectric Conversion

    NASA Astrophysics Data System (ADS)

    Sayre, Edwin D.; Ring, Peter J.; Brown, Neil; Elsner, Norbert B.; Bass, John C.

    2008-01-01

    This is a lunar nuclear power plant with the advantages of minimum mass, with no moving parts, no pumped liquid coolant, a solid metal rugged core, with no single point of failure. The electrical output is 100 kilowatts with a 500 kilowatt thermal reactor. The thermoelectric converters surround the potassium heatpipes from the core and water heatpipes surround the converter and connect to the radiator. The solid core reactor is made from HT9 alloy. The fuel is uranium oxide with 90% enrichment. The thermoelectric converter is bonded to the outside of the 1.10 inch ID heat pipe and is 30 inches long. The thermoelectric couple is Si/SiGe-Si/SiC Quantum Well with over 20% efficiency with an 890 K hot side and a 490 K cold side and produces 625 Watts. 176 converters produce 110 kWe. With less than 10% loss in controls this yields 100 kWe for use. The cylindrical thermoelectric converter is designed and fabricated by HIPing to keep brittle materials in compression and to ensure conductivity. The solid core is fabricated by machining the heatpipe tubes with 6 grooves that are diffusion bonded together by HIPing to form the fuel tubes. The maximum temperature of the heat pipes is 940 K and the return flow temperature is 890 K. The reactor core is hexagonal shaped, 61 cm. wide and 76.2 cm high with 12 rotating control drums surrounding it. There is shielding to protect components and human habitation. The radiator is daisy shaped at 45 degrees with each petal 5.5 meters long. The design life is ten years.

  20. Lunar Nuclear Power Plant With Solid Core Reactor, Heatpipes and Thermoelectric Conversion

    SciTech Connect

    Sayre, Edwin D.; Ring, Peter J.; Brown, Neil; Elsner, Norbert B.; Bass, John C.

    2008-01-21

    This is a lunar nuclear power plant with the advantages of minimum mass, with no moving parts, no pumped liquid coolant, a solid metal rugged core, with no single point of failure. The electrical output is 100 kilowatts with a 500 kilowatt thermal reactor. The thermoelectric converters surround the potassium heatpipes from the core and water heatpipes surround the converter and connect to the radiator. The solid core reactor is made from HT9 alloy. The fuel is uranium oxide with 90% enrichment. The thermoelectric converter is bonded to the outside of the 1.10 inch ID heat pipe and is 30 inches long. The thermoelectric couple is Si/SiGe-Si/SiC Quantum Well with over 20% efficiency with an 890 K hot side and a 490 K cold side and produces 625 Watts. 176 converters produce 110 kWe. With less than 10% loss in controls this yields 100 kWe for use. The cylindrical thermoelectric converter is designed and fabricated by HIPing to keep brittle materials in compression and to ensure conductivity. The solid core is fabricated by machining the heatpipe tubes with 6 grooves that are diffusion bonded together by HIPing to form the fuel tubes. The maximum temperature of the heat pipes is 940 K and the return flow temperature is 890 K. The reactor core is hexagonal shaped, 61 cm. wide and 76.2 cm high with 12 rotating control drums surrounding it. There is shielding to protect components and human habitation. The radiator is daisy shaped at 45 degrees with each petal 5.5 meters long. The design life is ten years.

  1. Key metabolites in tissue extracts of Elliptio complanata identified using (1)H nuclear magnetic resonance spectroscopy.

    PubMed

    Hurley-Sanders, Jennifer L; Levine, Jay F; Nelson, Stacy A C; Law, J M; Showers, William J; Stoskopf, Michael K

    2015-01-01

    We used (1)H nuclear magnetic resonance spectroscopy to describe key metabolites of the polar metabolome of the freshwater mussel, Elliptio complanata. Principal components analysis documented variability across tissue types and river of origin in mussels collected from two rivers in North Carolina (USA). Muscle, digestive gland, mantle and gill tissues yielded identifiable but overlapping metabolic profiles. Variation in digestive gland metabolic profiles between the two mussel collection sites was characterized by differences in mono- and disaccharides. Variation in mantle tissue metabolomes appeared to be associated with sex. Nuclear magnetic resonance spectroscopy is a sensitive means to detect metabolites in the tissues of E. complanata and holds promise as a tool for the investigation of freshwater mussel health and physiology.

  2. Key metabolites in tissue extracts of Elliptio complanata identified using 1H nuclear magnetic resonance spectroscopy

    PubMed Central

    Hurley-Sanders, Jennifer L.; Levine, Jay F.; Nelson, Stacy A. C.; Law, J. M.; Showers, William J.; Stoskopf, Michael K.

    2015-01-01

    We used 1H nuclear magnetic resonance spectroscopy to describe key metabolites of the polar metabolome of the freshwater mussel, Elliptio complanata. Principal components analysis documented variability across tissue types and river of origin in mussels collected from two rivers in North Carolina (USA). Muscle, digestive gland, mantle and gill tissues yielded identifiable but overlapping metabolic profiles. Variation in digestive gland metabolic profiles between the two mussel collection sites was characterized by differences in mono- and disaccharides. Variation in mantle tissue metabolomes appeared to be associated with sex. Nuclear magnetic resonance spectroscopy is a sensitive means to detect metabolites in the tissues of E. complanata and holds promise as a tool for the investigation of freshwater mussel health and physiology. PMID:27293708

  3. Billion-fold enhancement in sensitivity of nuclear magnetic resonance spectroscopy for magnesium ions in solution.

    PubMed

    Gottberg, Alexander; Stachura, Monika; Kowalska, Magdalena; Bissell, Mark L; Arcisauskaite, Vaida; Blaum, Klaus; Helmke, Alexander; Johnston, Karl; Kreim, Kim; Larsen, Flemming H; Neugart, Rainer; Neyens, Gerda; Garcia Ruiz, Ronald F; Szunyogh, Daniel; Thulstrup, Peter W; Yordanov, Deyan T; Hemmingsen, Lars

    2014-12-15

    β-nuclear magnetic resonance (NMR) spectroscopy is highly sensitive compared to conventional NMR spectroscopy, and may be applied for several elements across the periodic table. β-NMR has previously been successfully applied in the fields of nuclear and solid-state physics. In this work, β-NMR is applied, for the first time, to record an NMR spectrum for a species in solution. (31)Mg β-NMR spectra are measured for as few as 10(7) magnesium ions in ionic liquid (EMIM-Ac) within minutes, as a prototypical test case. Resonances are observed at 3882.9 and 3887.2 kHz in an external field of 0.3 T. The key achievement of the current work is to demonstrate that β-NMR is applicable for the analysis of species in solution, and thus represents a novel spectroscopic technique for use in general chemistry and potentially in biochemistry.

  4. Nuclear structure of elements with 100 ≤ Z ≤ 109 from alpha spectroscopy

    NASA Astrophysics Data System (ADS)

    Asai, M.; Heßberger, F. P.; Lopez-Martens, A.

    2015-12-01

    Significant technical progress concerning the availability of intense heavy-ion beams and highly-efficient and sophisticated detection devices has made nuclear-structure investigations possible in the region of superheavy nuclei. Exciting new results have been obtained by applying α spectroscopy as well as α-γ and internal-conversion-electron coincidence spectroscopy. The present review article gives an overview of the experimental techniques and methods with specific attention to the recent developments of digital signal and data processing giving access to half-life ranges of less than a few microseconds. The presentation of the experimental results and the physics discussion will be focused on nuclear structure systematics in even-Z nuclei along the N = 151 , 153 ,and 155 isotonic lines, where most progress has been achieved in the last 10 years.

  5. Possible generation of heat from nuclear fusion in Earth’s inner core

    NASA Astrophysics Data System (ADS)

    Fukuhara, Mikio

    2016-11-01

    The cause and source of the heat released from Earth’s interior have not yet been determined. Some research groups have proposed that the heat is supplied by radioactive decay or by a nuclear georeactor. Here we postulate that the generation of heat is the result of three-body nuclear fusion of deuterons confined in hexagonal FeDx core-centre crystals; the reaction rate is enhanced by the combined attraction effects of high-pressure (~364 GPa) and high-temperature (~5700 K) and by the physical catalysis of neutral pions: 2D + 2D + 2D → 21H + 4He + 2  + 20.85 MeV. The possible heat generation rate can be calculated as 8.12 × 1012 J/m3, based on the assumption that Earth’s primitive heat supply has already been exhausted. The H and He atoms produced and the anti-neutrino are incorporated as Fe-H based alloys in the H-rich portion of inner core, are released from Earth’s interior to the universe, and pass through Earth, respectively.

  6. Possible generation of heat from nuclear fusion in Earth’s inner core

    PubMed Central

    Fukuhara, Mikio

    2016-01-01

    The cause and source of the heat released from Earth’s interior have not yet been determined. Some research groups have proposed that the heat is supplied by radioactive decay or by a nuclear georeactor. Here we postulate that the generation of heat is the result of three-body nuclear fusion of deuterons confined in hexagonal FeDx core-centre crystals; the reaction rate is enhanced by the combined attraction effects of high-pressure (~364 GPa) and high-temperature (~5700 K) and by the physical catalysis of neutral pions: 2D + 2D + 2D → 21H + 4He + 2  + 20.85 MeV. The possible heat generation rate can be calculated as 8.12 × 1012 J/m3, based on the assumption that Earth’s primitive heat supply has already been exhausted. The H and He atoms produced and the anti-neutrino are incorporated as Fe-H based alloys in the H-rich portion of inner core, are released from Earth’s interior to the universe, and pass through Earth, respectively. PMID:27876860

  7. Nonthermal nuclear reactions induced by fast α particles in the solar core

    NASA Astrophysics Data System (ADS)

    Voronchev, Victor T.

    2015-02-01

    Nonthermal nuclear effects triggered in the solar carbon-nitrogen-oxygen (CNO) cycle by fast α particles—products of the p p chain reactions—are examined. The main attention is paid to 8.674-MeV α particles generated in the 7Li(p ,α ) α reaction. Nonthermal characteristics of these α particles and their influence on some nuclear processes are determined. It is found that the α -particle effective temperature is at a level of 1.1 MeV and exceeds the solar core temperature by 3 orders of magnitude. These fast particles are able to significantly enhance some endoergic (α ,p ) reactions neglected in standard solar model calculations. In particular, they can substantially affect the balance of the p +17O⇄α +14N reactions due to an appreciable increase of the reverse reaction rate. It is shown that in the region R =0.08 -0.25 R⊙ the reverse α +14N reaction can block the forward p +17O reaction, thus preventing closing of the CNO-II cycle, and increase the 17O abundance by a factor of 2-155 depending on R . This indicates that the fast α particles produced in the p p cycle can distort running of the CNO cycle, making it essentially different in the inner and outer core regions.

  8. Possible generation of heat from nuclear fusion in Earth's inner core.

    PubMed

    Fukuhara, Mikio

    2016-11-23

    The cause and source of the heat released from Earth's interior have not yet been determined. Some research groups have proposed that the heat is supplied by radioactive decay or by a nuclear georeactor. Here we postulate that the generation of heat is the result of three-body nuclear fusion of deuterons confined in hexagonal FeDx core-centre crystals; the reaction rate is enhanced by the combined attraction effects of high-pressure (~364 GPa) and high-temperature (~5700 K) and by the physical catalysis of neutral pions: (2)D + (2)D + (2)D → 2(1)H + (4)He + 2  + 20.85 MeV. The possible heat generation rate can be calculated as 8.12 × 10(12) J/m(3), based on the assumption that Earth's primitive heat supply has already been exhausted. The H and He atoms produced and the anti-neutrino are incorporated as Fe-H based alloys in the H-rich portion of inner core, are released from Earth's interior to the universe, and pass through Earth, respectively.

  9. A practical guide for nuclear resonance vibrational spectroscopy (NRVS) of biochemical samples and model compounds.

    PubMed

    Wang, Hongxin; Alp, Esen Ercan; Yoda, Yoshitaka; Cramer, Stephen P

    2014-01-01

    Nuclear resonance vibrational spectroscopy (NRVS) has been used by physicists for many years. However, it is still a relatively new technique for bioinorganic users. This technique yields a vibrational spectrum for a specific element, which can be easily interpreted. Furthermore, isotopic labeling allows for site-specific experiments. In this chapter, we discuss how to access specific beamlines, what kind of equipment is used in NRVS, and how the sample should be prepared and the data collected and analyzed.

  10. Multimegawatt nuclear electric propulsion with gaseous and vapor core reactors with MHD

    NASA Astrophysics Data System (ADS)

    Knight, Travis; Anghaie, Samim; Smith, Blair; Houts, Michael

    2001-02-01

    This study investigated the development of a system concept for space power generation and nuclear electric propulsion based on a fissioning plasma core reactor (FPCR) with magnetohydrodynamic (MHD) power conversion system, coupled to a magnetoplasmadynamic (MPD) thruster. The FPCR is a liquid-vapor core reactor concept operating with metallic uranium or uranium tetrafluoride (UF4) vapor as the fissioning fuel and alkali metals or their fluorides as working fluid in a closed Rankine cycle with MHD energy conversion. Candidate working fluids include K, Li, Na, KF, LiF, NaF, etc. The system features core outlet temperatures of 3000 to 4000 K at pressures of about 1 to 10 MPa, MHD temperatures of 2000 to 3000 K, and radiator temperatures of 1200 to 2000 K. This combination of parameters offers the potential for low total system specific mass in the range of 0.4 to 0.6 kg/kWe. The MHD output could be coupled with minimal power conditioning to the variable specific impulse magnetoplasma rocket (VASIMR), MPD thrusters or other types of thruster for producing thrust at very high specific impulse (Isp=1500 to 10,000 s). .

  11. Reducing numerical costs for core wide nuclear reactor CFD simulations by the Coarse-Grid-CFD

    NASA Astrophysics Data System (ADS)

    Viellieber, Mathias; Class, Andreas G.

    2013-11-01

    Traditionally complete nuclear reactor core simulations are performed with subchannel analysis codes, that rely on experimental and empirical input. The Coarse-Grid-CFD (CGCFD) intends to replace the experimental or empirical input with CFD data. The reactor core consists of repetitive flow patterns, allowing the general approach of creating a parametrized model for one segment and composing many of those to obtain the entire reactor simulation. The method is based on a detailed and well-resolved CFD simulation of one representative segment. From this simulation we extract so-called parametrized volumetric forces which close, an otherwise strongly under resolved, coarsely-meshed model of a complete reactor setup. While the formulation so far accounts for forces created internally in the fluid others e.g. obstruction and flow deviation through spacers and wire wraps, still need to be accounted for if the geometric details are not represented in the coarse mesh. These are modelled with an Anisotropic Porosity Formulation (APF). This work focuses on the application of the CGCFD to a complete reactor core setup and the accomplishment of the parametrization of the volumetric forces.

  12. Nanomagnetism of Core-Shell Magnetic Nanoparticles and Application in Spent Nuclear Fuel Separation

    NASA Astrophysics Data System (ADS)

    Tarsem Singh, Maninder Kaur

    This dissertation presents the study on novel core-shell magnetic nanoparticles (NPs) with unique magnetic properties. Understanding the fundamental physics of antiferromagnetic - ferromagnetic interactions is essential to apply in different applications. Chromium (Cr) doped and undoped core-shell iron/iron-oxide NPs have been synthesized using cluster deposition system and studied with respect to their nanostructures, morphologies, sizes, chemical composition and magnetic properties. The room-temperature magnetic properties of Fe based NPs shows the strong dependence of intra/inter-particle interaction on NP size. The Cr-doped Fe NP shows the origin of sigma-FeCr phase at very low Cr concentration (2 at.%) unlike others reported at high Cr content and interaction reversal from dipolar to exchange interaction. A theoretical model of watermelon is constructed based on the experimental results and core-shell NP system in order to explain the physics of exchange interaction in Cr-doped Fe particles. The magnetic nanoparticle---chelator separation nanotechnology is investigated for spent nuclear fuel recycling and is reported 97% and 80% of extraction for Am(III) and Pu(IV) actinides respectively. If the long-term heat generating actinides such as Am(III) can be efficiently removed from the used fuel raffinates, the volume of material that can be placed in a given amount of repository space can be significantly increased. As it is a simple, versatile, compact, and cost efficient process that minimizes secondary waste and improves storage performance.

  13. The Conservation Equations for a Magnetically Confined Gas Core Nuclear Rocket

    NASA Astrophysics Data System (ADS)

    Kammash, Terry; Galbraith, David L.

    1994-07-01

    A very promising propulsion scheme that could meet the objectives of the Space Exploration Initiative (SEI) of sending manned missions to Mars in the early part of the next century is the open-cycle Gas Core (GCR) Nuclear Rocket. Preliminary assessments of the performance of such advice indicate that specific impulses of several thousand seconds, and thrusts of hundreds of kilonewtons are possible. These attractive propulsion parameters are obtained because the hydrogen propellant gets heated to very high temperatures by the energy radiated from a critical uranium core which is in the form of a plasma generated under very high pressure. Because of the relative motion between the propellant and the core, certain types of hydrodynamic instabilities can occur, and result in rapid escape of the fuel through the nozzle. One effective way of dealing with this instability is to place the system in an externally applied magnetic field. In this paper we formulate the appropriate conservation equations that describe the dynamics of GCR in the presence of magnetic fields, and indicate the role such fields play in the performance of the system.

  14. THR-TH: a high-temperature gas-cooled nuclear reactor core thermal hydraulics code

    SciTech Connect

    Vondy, D.R.

    1984-07-01

    The ORNL version of PEBBLE, the (RZ) pebble bed thermal hydraulics code, has been extended for application to a prismatic gas cooled reactor core. The supplemental treatment is of one-dimensional coolant flow in up to a three-dimensional core description. Power density data from a neutronics and exposure calculation are used as the basic information for the thermal hydraulics calculation of heat removal. Two-dimensional neutronics results may be expanded for a three-dimensional hydraulics calculation. The geometric description for the hydraulics problem is the same as used by the neutronics code. A two-dimensional thermal cell model is used to predict temperatures in the fuel channel. The capability is available in the local BOLD VENTURE computation system for reactor core analysis with capability to account for the effect of temperature feedback by nuclear cross section correlation. Some enhancements have also been added to the original code to add pebble bed modeling flexibility and to generate useful auxiliary results. For example, an estimate is made of the distribution of fuel temperatures based on average and extreme conditions regularly calculated at a number of locations.

  15. Contributed Review: Nuclear magnetic resonance core analysis at 0.3 T

    SciTech Connect

    Mitchell, Jonathan Fordham, Edmund J.

    2014-11-15

    Nuclear magnetic resonance (NMR) provides a powerful toolbox for petrophysical characterization of reservoir core plugs and fluids in the laboratory. Previously, there has been considerable focus on low field magnet technology for well log calibration. Now there is renewed interest in the study of reservoir samples using stronger magnets to complement these standard NMR measurements. Here, the capabilities of an imaging magnet with a field strength of 0.3 T (corresponding to 12.9 MHz for proton) are reviewed in the context of reservoir core analysis. Quantitative estimates of porosity (saturation) and pore size distributions are obtained under favorable conditions (e.g., in carbonates), with the added advantage of multidimensional imaging, detection of lower gyromagnetic ratio nuclei, and short probe recovery times that make the system suitable for shale studies. Intermediate field instruments provide quantitative porosity maps of rock plugs that cannot be obtained using high field medical scanners due to the field-dependent susceptibility contrast in the porous medium. Example data are presented that highlight the potential applications of an intermediate field imaging instrument as a complement to low field instruments in core analysis and for materials science studies in general.

  16. Contributed review: nuclear magnetic resonance core analysis at 0.3 T.

    PubMed

    Mitchell, Jonathan; Fordham, Edmund J

    2014-11-01

    Nuclear magnetic resonance (NMR) provides a powerful toolbox for petrophysical characterization of reservoir core plugs and fluids in the laboratory. Previously, there has been considerable focus on low field magnet technology for well log calibration. Now there is renewed interest in the study of reservoir samples using stronger magnets to complement these standard NMR measurements. Here, the capabilities of an imaging magnet with a field strength of 0.3 T (corresponding to 12.9 MHz for proton) are reviewed in the context of reservoir core analysis. Quantitative estimates of porosity (saturation) and pore size distributions are obtained under favorable conditions (e.g., in carbonates), with the added advantage of multidimensional imaging, detection of lower gyromagnetic ratio nuclei, and short probe recovery times that make the system suitable for shale studies. Intermediate field instruments provide quantitative porosity maps of rock plugs that cannot be obtained using high field medical scanners due to the field-dependent susceptibility contrast in the porous medium. Example data are presented that highlight the potential applications of an intermediate field imaging instrument as a complement to low field instruments in core analysis and for materials science studies in general.

  17. Ultrafast Transient Absorption Spectroscopy Investigation of Photoinduced Dynamics in Novel Donor-Acceptor Core-Shell Nanostructures for Organic Photovoltaics

    NASA Astrophysics Data System (ADS)

    Strain, Jacob; Jamhawi, Abdelqader; Abeywickrama, Thulitha M.; Loomis, Wendy; Rathnayake, Hemali; Liu, Jinjun

    2016-06-01

    Novel donor-acceptor nanostructures were synthesized via covalent synthesis and/or UV cross-linking method. Their photoinduced dynamics were investigated with ultrafast transient absorption (TA) spectroscopy. These new nanostructures are made with the strategy in mind to reduce manufacturing steps in the process of fabricating an organic photovoltaic cell. By imitating the heterojunction interface within a fixed particle domain, several fabrication steps can be bypassed reducing cost and giving more applicability to other film deposition methods. Such applications include aerosol deposition and ink-jet printing. The systems that were studied by TA spectroscopy include PDIB core, PDIB-P3HT core-shell, and PDIB-PANT core-shell which range in size from 60 to 130 nm. Within the experimentally accessible spectra range there resides a region of ground state bleaching, stimulated emission, and excited-state absorption of both neutrals and anions. Control experiments have been carried out to assign these features. At high pump fluences the TA spectra of PDIB core alone also indicate an intramolecular charge separation. The TA spectroscopy results thus far suggest that the core-shells resemble the photoinduced dynamics of a standard film although the particles are dispersed in solution, which indicates the desired outcome of the work.

  18. Fluorescence Spectroscopy: An Adjunct Diagnostic Tool to Image-Guided Core Needle Biopsy of the Breast

    PubMed Central

    Zhu, Changfang; Burnside, Elizabeth S.; Sisney, Gale A.; Salkowski, Lonie R.; Harter, Josephine M.; Yu, Bing

    2009-01-01

    We explored the use of a fiber-optic probe for in vivo fluorescence spectroscopy of breast tissues during percutaneous image-guided breast biopsy. A total of 121 biopsy samples with accompanying histological diagnosis were obtained clinically and investigated in this study. The tissue spectra were analyzed using partial least-squares analysis and represented using a set of principal components (PCs) with dramatically reduced data dimension. For nonmalignant tissue samples, a set of PCs that account for the largest amount of variance in the spectra displayed correlation with the percent tissue composition. For all tissue samples, a set of PCs was identified using a Wilcoxon rank-sum test as showing statistically significant differences between: 1) malignant and fibrous/benign; 2) malignant and adipose; and 3) malignant and nonmalignant breast samples. These PCs were used to distinguish malignant from other nonmalignant tissue types using a binary classification scheme based on both linear and nonlinear support vector machine (SVM) and logistic regression (LR). For the sample set investigated in this study, the SVM classifier provided a cross-validated sensitivity and specificity of up to 81% and 87%, respectively, for discrimination between malignant and fibrous/benign samples, and up to 81% and 81%, respectively, for discriminating between malignant and adipose samples. Classification based on LR was used to generate receiver operator curves with an area under the curve (AUC) of 0.87 for discriminating malignant versus fibrous/benign tissues, and an AUC of 0.84 for discriminating malignant from adipose tissue samples. This study demonstrates the feasibility of performing fluorescence spectroscopy during clinical core needle breast biopsy, and the potential of this technique for identifying breast malignancy in vivo. PMID:19272976

  19. Modular assembly for supporting, straining, and directing flow to a core in a nuclear reactor

    DOEpatents

    Pennell, William E.

    1977-01-01

    A reactor core support arrangement for supporting, straining, and providing fluid flow to the core and periphery of a nuclear reactor during normal operation. A plurality of removable inlet modular units are contained within permanent liners in the lower supporting plate of the reactor vessel lower internals. During normal operation (1) each inlet modular unit directs main coolant flow to a plurality of core assemblies, the latter being removably supported in receptacles in the upper portion of the modular unit and (2) each inlet modular unit may direct bypass flow to a low pressure annular region of the reactor vessel. Each inlet modular unit may include special fluid seals interposed between mating surfaces of the inlet modular units and the core assemblies and between the inlet modular units and the liners, to minimize leakage and achieve an hydraulic balance. Utilizing the hydraulic balance, the modular units are held in the liners and the assemblies are held in the modular unit receptacles by their own respective weight. Included as part of the permanent liners below the horizontal support plate are generally hexagonal axial debris barriers. The axial debris barriers collectively form a bottom boundary of a secondary high pressure plenum, the upper boundary of which is the bottom surface of the horizontal support plate. Peripheral liners include radial debris barriers which collectively form a barrier against debris entry radially. During normal operation primary coolant inlet openings in the liner, below the axial debris barriers, pass a large amount of coolant into the inlet modular units, and secondary coolant inlet openings in the portion of the liners within the secondary plenum pass a small amount of coolant into the inlet modular units. The secondary coolant inlet openings also provide alternative coolant inlet flow paths in the unlikely event of blockage of the primary inlet openings. The primary inlet openings have characteristics which limit the

  20. Undistorted X-ray Absorption Spectroscopy Using s-Core-Orbital Emissions.

    PubMed

    Golnak, Ronny; Xiao, Jie; Atak, Kaan; Unger, Isaak; Seidel, Robert; Winter, Bernd; Aziz, Emad F

    2016-05-12

    Detection of secondary emissions, fluorescence yield (FY), or electron yield (EY), originating from the relaxation processes upon X-ray resonant absorption has been widely adopted for X-ray absorption spectroscopy (XAS) measurements when the primary absorption process cannot be probed directly in transmission mode. Various spectral distortion effects inherent in the relaxation processes and in the subsequent transportation of emitted particles (electron or photon) through the sample, however, undermine the proportionality of the emission signals to the X-ray absorption coefficient. In the present study, multiple radiative (FY) and nonradiative (EY) decay channels have been experimentally investigated on a model system, FeCl3 aqueous solution, at the excitation energy of the Fe L-edge. The systematic comparisons between the experimental spectra taken from various decay channels, as well as the comparison with the theoretically simulated Fe L-edge XA spectrum that involves only the absorption process, indicate that the detection of the Fe 3s → 2p partial fluorescence yield (PFY) gives rise to the true Fe L-edge XA spectrum. The two key characteristics generalized from this particular decay channel-zero orbital angular momentum (i.e., s orbital) and core-level emission-set a guideline for obtaining undistorted X-ray absorption spectra in the future.

  1. GEMINI/GMOS SPECTROSCOPY OF 26 STRONG-LENSING-SELECTED GALAXY CLUSTER CORES

    SciTech Connect

    Bayliss, Matthew B.; Gladders, Michael D.; Koester, Benjamin P.; Hennawi, Joseph F.; Sharon, Keren; Dahle, Haakon; Oguri, Masamune

    2011-03-15

    We present results from a spectroscopic program targeting 26 strong-lensing cluster cores that were visually identified in the Sloan Digital Sky Survey (SDSS) and the Second Red-Sequence Cluster Survey (RCS-2). The 26 galaxy cluster lenses span a redshift range of 0.2 < z < 0.65, and our spectroscopy reveals 69 unique background sources with redshifts as high as z = 5.200. We also identify redshifts for 262 cluster member galaxies and measure the velocity dispersions and dynamical masses for 18 clusters where we have redshifts for N {>=} 10 cluster member galaxies. We account for the expected biases in dynamical masses of strong-lensing-selected clusters as predicted by results from numerical simulations and discuss possible sources of bias in our observations. The median dynamical mass of the 18 clusters with N {>=} 10 spectroscopic cluster members is M {sub Vir} = 7.84 x 10{sup 14} M {sub sun} h {sup -1} {sub 0.7}, which is somewhat higher than predictions for strong-lensing-selected clusters in simulations. The disagreement is not significant considering the large uncertainty in our dynamical data, systematic uncertainties in the velocity dispersion calibration, and limitations of the theoretical modeling. Nevertheless our study represents an important first step toward characterizing large samples of clusters that are identified in a systematic way as systems exhibiting dramatic strong-lensing features.

  2. Bleed cycle propellant pumping in a gas-core nuclear rocket engine system

    NASA Technical Reports Server (NTRS)

    Kascak, A. F.; Easley, A. J.

    1972-01-01

    The performance of ideal and real staged primary propellant pumps and bleed-powered turbines was calculated for gas-core nuclear rocket engines over a range of operating pressures from 500 to 5000 atm. This study showed that for a required engine operating pressure of 1000 atm the pump work was about 0.8 hp/(lb/sec), the specific impulse penalty resulting from the turbine propellant bleed flow as about 10 percent; and the heat required to preheat the propellant was about 7.8 MN/(lb/sec). For a specific impulse above 2400 sec, there is an excess of energy available in the moderator due to the gamma and neutron heating that occurs there. Possible alternative pumping cycles are the Rankine or Brayton cycles.

  3. Machine for removing in-core instrument assemblies from a nuclear reactor

    SciTech Connect

    Klumb, R.H.; Margotta, K.V.; Shendy, D.S.

    1982-02-02

    A machine for smoothly and controllably winding or unwinding a stiff in-core-instrument tube onto and off of a reel during ythe refueling of a nuclear reactor. The machine includes a frame and a circular reel having a substantially continuous helical groove extending around the circumference of the reel. The groove is adapted to receive the tube. A plurality of cam rollers are carried by the frame and closely spaced around the circumference of the reel. The rollers keep the tube in the groove whereby the tube may be more easily wound onto or off of the reel. In the preferred embodiment, the reel carries a disposable cartridge in which the grooves are formed.

  4. Multiphysics Analysis of a Solid-Core Nuclear Thermal Engine Thrust Chamber

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Canabal, Francisco; Cheng, Gary; Chen, Yen-Sen

    2006-01-01

    The objective of this effort is to develop an efficient and accurate thermo-fluid computational methodology to predict environments for a hypothetical solid-core, nuclear thermal engine thrust chamber. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics methodology. Formulations for heat transfer in solids and porous media were implemented and anchored. A two-pronged approach was employed in this effort: A detailed thermo-fluid analysis on a multi-channel flow element for mid-section corrosion investigation; and a global modeling of the thrust chamber to understand the effect of hydrogen dissociation and recombination on heat transfer and thrust performance. The formulations and preliminary results on both aspects are presented.

  5. Fuel/propellant mixing in an open-cycle gas core nuclear rocket engine

    NASA Astrophysics Data System (ADS)

    Guo, Xu; Wehrmeyer, Joseph A.

    1997-01-01

    A numerical investigation of the mixing of gaseous uranium and hydrogen inside an open-cycle gas core nuclear rocket engine (spherical geometry) is presented. The gaseous uranium fuel is injected near the centerline of the spherical engine cavity at a constant mass flow rate, and the hydrogen propellant is injected around the periphery of the engine at a five degree angle to the wall, at a constant mass flow rate. The main objective is to seek ways to minimize the mixing of uranium and hydrogen by choosing a suitable injector geometry for the mixing of light and heavy gas streams. Three different uranium inlet areas are presented, and also three different turbulent models (k-ɛ model, RNG k-V model, and RSM model) are investigated. The commercial CFD code, FLUENT, is used to model the flow field. Uranium mole fraction, axial mass flux, and radial mass flux contours are obtained.

  6. Instabilities in uranium plasma and the gas-core nuclear rocket engine

    NASA Technical Reports Server (NTRS)

    Tidman, D. A.

    1972-01-01

    The nonlinear evolution of unstable sound waves in a uranium plasma has been calculated using a multiple time-scale asymptotic expansion scheme. The fluid equations used include the fission power density, radiation diffusion, and the effects of the changing degree of ionization of the uranium atoms. The nonlinear growth of unstable waves is shown to be limited by mode coupling to shorter wavelength waves which are damped by radiation diffusion. This mechanism limits the wave pressure fluctuations to values of order delta P/P approximates 0.00001 in the plasma of a typical gas-core nuclear rocket engine. The instability is thus not expected to present a control problem for this engine.

  7. Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core.

    PubMed

    Montemayor, Eric J; Didychuk, Allison L; Liao, Honghong; Hu, Panzhou; Brow, David A; Butcher, Samuel E

    2017-01-01

    U6 small nuclear RNA (snRNA) is a key component of the active site of the spliceosome, a large ribonucleoprotein complex that catalyzes the splicing of precursor messenger RNA. Prior to its incorporation into the spliceosome, U6 is bound by the protein Prp24, which facilitates unwinding of the U6 internal stem-loop (ISL) so that it can pair with U4 snRNA. A previously reported crystal structure of the `core' of the U6 small nuclear ribonucleoprotein (snRNP) contained an ISL-stabilized A62G mutant of U6 bound to all four RNA-recognition motif (RRM) domains of Prp24 [Montemayor et al. (2014), Nature Struct. Mol. Biol. 21, 544-551]. The structure revealed a novel topology containing interlocked rings of protein and RNA that was not predicted by prior biochemical and genetic data. Here, the crystal structure of the U6 snRNP core with a wild-type ISL is reported. This complex crystallized in a new space group, apparently owing in part to the presence of an intramolecular cross-link in RRM1 that was not observed in the previously reported U6-A62G structure. The structure exhibits the same protein-RNA interface and maintains the unique interlocked topology. However, the orientation of the wild-type ISL is altered relative to the A62G mutant structure, suggesting inherent structural dynamics that may facilitate its pairing with U4. Consistent with their similar architectures in the crystalline state, the wild-type and A62G variants of U6 exhibit similar Prp24-binding affinities and electrophoretic mobilities when analyzed by gel-shift assay.

  8. Reactor moderator, pressure vessel, and heat rejection system of an open-cycle gas core nuclear rocket concept

    NASA Technical Reports Server (NTRS)

    Taylor, M. F.; Whitmarsh, C. L., Jr.; Sirocky, P. J., Jr.; Iwanczyke, L. C.

    1973-01-01

    A preliminary design study of a conceptual 6000-megawatt open-cycle gas-core nuclear rocket engine system was made. The engine has a thrust of 196,600 newtons (44,200 lb) and a specific impulse of 4400 seconds. The nuclear fuel is uranium-235 and the propellant is hydrogen. Critical fuel mass was calculated for several reactor configurations. Major components of the reactor (reflector, pressure vessel, and waste heat rejection system) were considered conceptually and were sized.

  9. Safety apparatus for nuclear reactor to prevent structural damage from overheating by core debris

    DOEpatents

    Gabor, J.D.; Cassulo, J.C.; Pedersen, D.R.; Baker, L. Jr.

    The invention teaches safety apparatus that can be included in a nuclear reactor, either when newly fabricated or as a retrofit add-on, that will minimize proliferation of structural damage to the reactor in the event the reactor is experiencing an overheating malfunction whereby radioactive nuclear debris might break away from and can be discharged from the reactor core. The invention provides a porous bed of sublayer on the lower surface of the reactor containment vessel so that the debris falls on and piles up on the bed. Vapor release elements upstand from the bed in some laterally spaced array. Thus should the high heat flux of the debris interior vaporize the coolant at that location, the vaporized coolant can be vented downwardly to and laterally through the bed to the vapor release elements and in turn via the release elements upwardly through the debris. This minimizes the pressure buildup in the debris and allows for continuing infiltration of the liquid coolant into the debris interior.

  10. Safety apparatus for nuclear reactor to prevent structural damage from overheating by core debris

    DOEpatents

    Gabor, John D.; Cassulo, John C.; Pedersen, Dean R.; Baker Jr., Louis

    1986-07-01

    The invention teaches safety apparatus that can be included in a nuclear reactor, either when newly fabricated or as a retrofit add-on, that will minimize proliferation of structural damage to the reactor in the event the reactor is experiencing an overheating malfunction whereby radioactive nuclear debris might break away from and be discharged from the reactor core. The invention provides a porous bed or sublayer on the lower surface of the reactor containment vessel so that the debris falls on and piles up on the bed. Vapor release elements upstand from the bed in some laterally spaced array. Thus should the high heat flux of the debris interior vaporize the coolant at that location, the vaporized coolant can be vented downwardly to and laterally through the bed to the vapor release elements and in turn via the release elements upwardly through the debris. This minimizes the pressure buildup in the debris and allows for continuing infiltration of the liquid coolant into the debris interior.

  11. Safety apparatus for nuclear reactor to prevent structural damage from overheating by core debris

    DOEpatents

    Gabor, John D.; Cassulo, John C.; Pedersen, Dean R.; Baker, Jr., Louis

    1986-01-01

    The invention teaches safety apparatus that can be included in a nuclear reactor, either when newly fabricated or as a retrofit add-on, that will minimize proliferation of structural damage to the reactor in the event the reactor is experiencing an overheating malfunction whereby radioactive nuclear debris might break away from and be discharged from the reactor core. The invention provides a porous bed or sublayer on the lower surface of the reactor containment vessel so that the debris falls on and piles up on the bed. Vapor release elements upstand from the bed in some laterally spaced array. Thus should the high heat flux of the debris interior vaporize the coolant at that location, the vaporized coolant can be vented downwardly to and laterally through the bed to the vapor release elements and in turn via the release elements upwardly through the debris. This minimizes the pressure buildup in the debris and allows for continuing infiltration of the liquid coolant into the debris interior.

  12. Core structure of the U6 small nuclear ribonucleoprotein at 1.7-Å resolution.

    PubMed

    Montemayor, Eric J; Curran, Elizabeth C; Liao, Hong Hong; Andrews, Kristie L; Treba, Christine N; Butcher, Samuel E; Brow, David A

    2014-06-01

    The spliceosome is a dynamic assembly of five small nuclear ribonucleoproteins (snRNPs) that removes introns from eukaryotic pre-mRNA. U6, the most conserved of the spliceosomal small nuclear RNAs (snRNAs), participates directly in catalysis. Here, we report the crystal structure of the Saccharomyces cerevisiae U6 snRNP core containing most of the U6 snRNA and all four RRM domains of the Prp24 protein. It reveals a unique interlocked RNP architecture that sequesters the 5' splice site-binding bases of U6 snRNA. RRMs 1, 2 and 4 of Prp24 form an electropositive groove that binds double-stranded RNA and may nucleate annealing of U4 and U6 snRNAs. Substitutions in Prp24 that suppress a mutation in U6 localize to direct RNA-protein contacts. Our results provide the most comprehensive view to date of a multi-RRM protein bound to RNA and reveal striking coevolution of protein and RNA structure.

  13. The behavior of ANGRA 2 nuclear power plant core for a small break LOCA simulated with RELAP5 code

    SciTech Connect

    Sabundjian, Gaiane; Andrade, Delvonei A.; Belchior, Antonio Jr.; Silva Rocha, Marcelo da; Conti, Thadeu N.; Torres, Walmir M.; Macedo, Luiz A.; Umbehaun, Pedro E.; Mesquita, Roberto N.; Masotti, Paulo H. F.; Souza Lima, Ana Cecilia de

    2013-05-06

    This work discusses the behavior of Angra 2 nuclear power plant core, for a postulate Loss of Coolant Accident (LOCA) in the primary circuit for Small Break Loss Of Coolant Accident (SBLOCA). A pipe break of the hot leg Emergency Core Cooling System (ECCS) was simulated with RELAP 5 code. The considered rupture area is 380 cm{sup 2}, which represents 100% of the ECCS pipe flow area. Results showed that the cooling is enough to guarantee the integrity of the reactor core.

  14. Probing Multiple Core Samples through the SN 1006 Remnant by UV Absorption Spectroscopy

    NASA Astrophysics Data System (ADS)

    Winkler, P. F.; Long, K. S.; Fesen, R. A.; Hamilton, A. J. S.

    2003-12-01

    Ejecta within young supernova remnants (SNRs) have been widely studied both through the X-ray emission from highly ionized plasma heated by fast shocks and through the optical emission from isolated dense filaments excited by secondary shocks. A full inventory of the ejecta, however, must also include cold, unshocked material within the SNR shell, which can be studied through UV absorption spectroscopy if suitable background ``UV lightbulbs'' can be identified. So far, this technique has been applied only in the remnant of SN 1006, where IUE and HST spectra of the Schweizer-Middleditch (S-M) star have probed a single sight line 3 arcmin from the projected center of the 15 arcmin radius shell (Hamilton et al. 1997, ApJ 481, 838 and references therein). We have identified at least two more background UV sources that enable us to probe additional core samples through the SN 1006 shell, corresponding to the sight lines to each of these sources, using spectra from HST-STIS. A QSO with V = 18.3 and z = 0.337, located 9 arcmin NE of the projected center, shows evidence of broad but asymmetric (primarily red-shifted) absorption in Si II and Si IV lines. There is only marginal evidence for absorption from Fe II at 2382 and 2599 Å with near zero velocity. Only a near-UV spectrum was obtained for a fainter (V = 19.5) QSO at z = 1.026, located within 2 arcmin of the SNR center. This shows strong evidence for broad Fe II absorption with a sharp blue edge at ˜ -3000 km/s and a more gradual red edge extending to > 8000 km/s. These profiles appear similar to those for the S-M star. Two A0 stars are probably more distant than SN 1006 but are located far from the center, within 3 arcmin of the shell rim. Neither appears to show evidence for absorption along the line of sight. These multiple cores through the SNR shell enable us to better map the distribution of ejecta. This research is based on observations with the Hubble Space Telescope and is directly supported through NASA

  15. 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.

  16. 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

  17. Delayed Gamma-Ray Spectroscopy for Non-Destructive Assay of Nuclear Materials

    SciTech Connect

    Ludewigt, Bernhard; Mozin, Vladimir; Campbell, Luke; Favalli, Andrea; Alan W. Hunt; Edward T. Reedy; Heather A. Seipel

    2015-06-01

    Modeling capabilities were added to an existing framework and codes were adapted as needed for analyzing experiments and assessing application-specific assay concepts including simulation of measurements over many short irradiation/spectroscopy cycles. The code package was benchmarked against the data collected at the IAC for small targets and assembly-scale data collected at LANL. A study of delayed gamma-ray spectroscopy for nuclear safeguards was performed for a variety of assemblies in the extensive NGSI spent fuel library. The modeling results indicate that delayed gamma-ray responses can be collected from spent fuel assemblies with statistical quality sufficient for analyzing their isotopic composition using a 1011 n/s neutron generator and COTS detector instrumentation.

  18. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

    PubMed Central

    Guo, Yisong; Brecht, Eric; Aznavour, Kristen; Nix, Jay C.; Xiao, Yuming; Wang, Hongxin; George, Simon J.; Bau, Robert; Keable, Stephen; Peters, John W.; Adams, Michael W.W.; Jenney, Francis; Sturhahn, Wolfgang; Alp, Ercan E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2014-01-01

    We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Fe-S protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the X-ray crystal structure. PMID:26052177

  19. Use of Nuclear Spin Noise Spectroscopy to Monitor Slow Magnetization Buildup at Millikelvin Temperatures

    PubMed Central

    Pöschko, Maria Theresia; Peat, David; Owers‐Bradley, John

    2016-01-01

    Abstract At ultralow temperatures, longitudinal nuclear magnetic relaxation times become exceedingly long and spectral lines are very broad. These facts pose particular challenges for the measurement of NMR spectra and spin relaxation phenomena. Nuclear spin noise spectroscopy is used to monitor proton spin polarization buildup to thermal equilibrium of a mixture of glycerol, water, and copper oxide nanoparticles at 17.5 mK in a static magnetic field of 2.5 T. Relaxation times determined in such a way are essentially free from perturbations caused by excitation radiofrequency pulses, radiation damping, and insufficient excitation bandwidth. The experimental spin‐lattice relaxation times determined on resonance by saturation recovery with spin noise detection are consistently longer than those determined by using pulse excitation. These longer values are in better accordance with the expected field dependence trend than those obtained by on‐resonance experiments with pulsed excitation. PMID:27305629

  20. Characterization of humic acid fractions by C-13 nuclear magnetic resonance spectroscopy

    USGS Publications Warehouse

    Wershaw, R. L.; Thorn, K.A.; Pinckney, D.J.

    1988-01-01

    Soil humic acids from different environments were fractionated by adsorption chromatography on Sephadex and characterized by C-13 nuclear magnetic resonance (NMR) spectroscopy. The C-13 NMR spectra of the fractions consist of some sharp, well-resolved lines and some broad bands in contrast to the spectra of the unfractionated humic acids, where the bands are broader and less well-resolved. The marked increase in resolution is apparently due to increased homogeneity of the fractions. These spectra are compared to the spectra of model compounds.

  1. Nuclear magnetic resonance spectroscopy of mussel adhesive protein repeating peptide segment.

    PubMed

    Olivieri, M P; Wollman, R M; Alderfer, J L

    1997-12-01

    Mussel adhesive protein (MAP) is the adhesive agent used by the common blue sea mussel (Mytilus edulis) to attach the animal to various underwater surfaces. It is generally composed of 75 to 85 repeating decameric units with the reported primary sequence NH2-Ala(1)-Lyst(2)-Pro(3)-Ser(4)-Tyr(5)-Hyp(6)-Hyp(7)-Thr(8)-DOPA( 9)- Lys(10)-COOH. This study examines this peptide's solution-state conformation using proton nuclear magnetic resonance (NMR) spectroscopy. NMR and molecular modeling of the decamer before and after molecular dynamics calculations in water suggests a conformation that retains an overall bent helix.

  2. Assessing epithelial cell nuclear morphology by using azimuthal light scattering spectroscopy

    NASA Astrophysics Data System (ADS)

    Yu, Chung-Chieh; Lau, Condon; Tunnell, James W.; Hunter, Martin; Kalashnikov, Maxim; Fang-Yen, Christopher; Fulghum, Stephen F.; Badizadegan, Kamran; Dasari, Ramachandra R.; Feld, Michael S.

    2006-11-01

    We describe azimuthal light scattering spectroscopy (ϕ/LSS), a novel technique for assessing epithelial-cell nuclear morphology. The difference between the spectra measured at azimuthal angles ϕ=0° and ϕ=90° preferentially isolates the single backscattering contribution due to large (˜10 μm) structures such as epithelial cell nuclei by discriminating against scattering from smaller organelles and diffusive background. We demonstrate the feasibility of using ϕ/LSS for cancer detection by showing that spectra from cancerous colon tissue exhibit significantly greater azimuthal asymmetry than spectra from normal colonic tissues.

  3. Iron oxalate decomposition process by means of Mössbauer spectroscopy and nuclear forward scattering

    NASA Astrophysics Data System (ADS)

    Smrčka, David; Procházka, Vít; Novák, Petr; Kašlík, Josef; Vrba, Vlastimil

    2016-10-01

    This study reports the transformation kinetics of the thermal decomposition of the iron(II) oxalate dihydrate studied in detail by two different techniques: the transmission Mössbauer spectroscopy and the nuclear forward scattering of synchrotron radiation. Both methods were applied to observe three steps of the decomposition process when the iron oxalate transforms to the amorphous iron oxide. The hematite/maghemite ratio was determined from the transmission Mössbauer spectra using an evaluation procedure based on a subtraction of two opposite sides of spectra. The results obtained indicate that the amount of hematite increases with an annealing time prolongation.

  4. High-resolution proton nuclear magnetic resonance spectroscopy of ovarian cyst fluid.

    PubMed

    Boss, E A; Moolenaar, S H; Massuger, L F; Boonstra, H; Engelke, U F; de Jong, J G; Wevers, R A

    2000-08-01

    Most ovarian tumors are cystic structures containing variable amounts of fluid. Several studies of ovarian cyst fluid focus on one specific metabolite using conventional assay systems. We examined the potential of (1)H-nuclear magnetic resonance spectroscopy in evaluation of the overall metabolic composition of cyst fluid from different ovarian tumors. Ovarian cyst fluid samples obtained from 40 patients with a primary ovarian tumor (12 malignant and 28 benign) were examined. After deproteinization and pD standardization, we performed (1)H-NMR spectroscopy on a 600 MHz instrument. With (1)H-NMR spectroscopy we found detectable concentrations of 36 metabolites with high intersample variation. A number of unassigned resonances as well as unexpected metabolites were found. We introduce an overall inventory of the low-molecular-weight metabolites in ovarian cyst fluid with corresponding resonances. Significant differences in concentration (p < 0.01) were found for several metabolites (including an unknown metabolite) between malignant and benign ovarian cysts. Furthermore, higher concentrations in malignant- and lower in benign fluids were found compared to normal serum values, indicating local cyst wall metabolic processes in case of malignant transformation. We conclude that (1)H-nuclear magnetic resonance spectroscopy can give an overview of low-molecular-weight proton-containing metabolities present in ovarian cyst fluid samples. The metabolic composition of cyst fluid differs significantly between benign and malignant ovarian tumors. Furthermore, differences between benign subgroups possibly related to histopathological behaviour can be detected. The presence of N-acetyl aspartic acid and 5-oxoproline exclusively in serous cystadenoma samples is remarkable. Future studies will concentrate on these findings and explore the possibilities of extrapolating information from the in vitro studies to in vivo practice, in which metabolic differences between malignant and

  5. Heat shock-induced interactions among nuclear HSFs detected by fluorescence cross-correlation spectroscopy

    SciTech Connect

    Pack, Chan-Gi; Ahn, Sang-Gun

    2015-07-31

    The cellular response to stress is primarily controlled in cells via transcriptional activation by heat shock factor 1 (HSF1). HSF1 is well-known to form homotrimers for activation upon heat shock and subsequently bind to target DNAs, such as heat-shock elements, by forming stress granules. A previous study demonstrated that nuclear HSF1 and HSF2 molecules in live cells interacted with target DNAs on the stress granules. However, the process underlying the binding interactions of HSF family in cells upon heat shock remains unclear. This study demonstrate for the first time that the interaction kinetics among nuclear HSF1, HSF2, and HSF4 upon heat shock can be detected directly in live cells using dual color fluorescence cross-correlation spectroscopy (FCCS). FCCS analyses indicated that the binding between HSFs was dramatically changed by heat shock. Interestingly, the recovery kinetics of interaction between HSF1 molecules after heat shock could be represented by changes in the relative interaction amplitude and mobility. - Highlights: • The binding interactions among nuclear HSFs were successfully detected. • The binding kinetics between HSF1s during recovery was quantified. • HSF2 and HSF4 strongly formed hetero-complex, even before heat shock. • Nuclear HSF2 and HSF4 bound to HSF1 only after heat shock.

  6. Time differentiated nuclear resonance spectroscopy coupled with pulsed laser heating in diamond anvil cells

    SciTech Connect

    Kupenko, I. Strohm, C.; McCammon, C.; Cerantola, V.; Petitgirard, S.; Dubrovinsky, L.; Glazyrin, K.; Vasiukov, D.; Aprilis, G.; Chumakov, A. I.; Rüffer, R.

    2015-11-15

    Developments in pulsed laser heating applied to nuclear resonance techniques are presented together with their applications to studies of geophysically relevant materials. Continuous laser heating in diamond anvil cells is a widely used method to generate extreme temperatures at static high pressure conditions in order to study the structure and properties of materials found in deep planetary interiors. The pulsed laser heating technique has advantages over continuous heating, including prevention of the spreading of heated sample and/or the pressure medium and, thus, a better stability of the heating process. Time differentiated data acquisition coupled with pulsed laser heating in diamond anvil cells was successfully tested at the Nuclear Resonance beamline (ID18) of the European Synchrotron Radiation Facility. We show examples applying the method to investigation of an assemblage containing ε-Fe, FeO, and Fe{sub 3}C using synchrotron Mössbauer source spectroscopy, FeCO{sub 3} using nuclear inelastic scattering, and Fe{sub 2}O{sub 3} using nuclear forward scattering. These examples demonstrate the applicability of pulsed laser heating in diamond anvil cells to spectroscopic techniques with long data acquisition times, because it enables stable pulsed heating with data collection at specific time intervals that are synchronized with laser pulses.

  7. Zero and Ultra-Low-Field Nuclear Magnetic Resonance Spectroscopy Via Optical Magnetometry

    NASA Astrophysics Data System (ADS)

    Blanchard, John Woodland

    Nuclear magnetic resonance (NMR) is among the most powerful analytical tools available to the chemical and biological sciences for chemical detection, characterization, and structure elucidation. NMR experiments are usually performed in large magnetic fields in order to maximize sensitivity and increase chemical shift resolution. However, the high magnetic fields required for conventional NMR necessitate large, immobile, and expensive superconducting magnets, limiting the use of the technique. New hyperpolarization and non-inductive detection methods have recently allowed for NMR measurements in the inverse regime of extremely low magnetic fields. Whereas a substantial body of research has been conducted in the high-field regime, taking advantage of the efficient coherent control afforded by a spectroscopy dominated by coupling to the spectrometer, the zero- and ultra-low-field (ZULF) regime has remained mostly unexplored. In this dissertation, we investigate the applicability of ZULF-NMR as a novel spectroscopic technique complimentary to high-field NMR. In particular, we consider various aspects of the ZULF-NMR experiment and the dynamics of nuclear spins under various local spin coupling Hamiltonians. We first survey zero-field NMR experiments on systems dominated by the electron-mediated indirect spin-spin coupling (J-coupling). The resulting J-spectra permit precision measurement of chemically relevant information due to the exquisite sensitivity of J-couplings to subtle changes in molecular geometry and electronic structure. We also consider the effects of weak magnetic fields and residual dipolar couplings in anisotropic media, which encode information about nuclear magnetic moments and geometry, and further resolve topological ambiguities by lifting degeneracies. By extending the understanding of the interactions that contribute to ZULF-NMR spectra, this work represents a significant advancement towards a complete description of zero- and ultra

  8. Revisiting the vortex-core tunnelling spectroscopy in YBa2Cu3O7−δ

    PubMed Central

    Bruér, Jens; Maggio-Aprile, Ivan; Jenkins, Nathan; Ristić, Zoran; Erb, Andreas; Berthod, Christophe; Fischer, Øystein; Renner, Christoph

    2016-01-01

    The observation by scanning tunnelling spectroscopy of Abrikosov vortex cores in the high-temperature superconductor YBa2Cu3O7−δ (Y123) has revealed a robust pair of electron-hole symmetric states at finite subgap energy. Their interpretation remains an open question because theory predicts a different signature in the vortex cores, characterized by a strong zero-bias conductance peak. Here, we present scanning tunnelling spectroscopy data on very homogeneous Y123 at 0.4 K revealing that the subgap features do not belong to vortices: they are actually observed everywhere along the surface with high spatial and energy reproducibility, even in the absence of magnetic field. Detailed analysis and modelling show that these states remain unpaired in the superconducting phase and belong to an incoherent channel, which contributes to the tunnelling signal in parallel with the superconducting density of states. PMID:27030516

  9. An Ultraviolet X-Ray Laser Source for Core Level Spectroscopy and Dynamics of Metal Cluster/Ceramic Chemistry

    DTIC Science & Technology

    2007-11-02

    TYPE AND DATES COVERED Final Rpnnrt. 3/1/97 - 5/31/98 4. TITLE AND SUBTITLE An Ultraviolet X-ray Laser Source for Core Level Spectroscopy and...DISTRIBUTION CODE 13. ABSTRACT (Maximum 200 words) A99B0722 A titanium sapphire ultrafast laser system was procured and merged with a high repetition rate...pulsed valve to produce higher harmonic light output in a rare gas jet. The ultrafast laser system consists of a seed laser , a regenerative amplifier

  10. GPU Based General-Purpose Parallel computing to Solve Nuclear Reactor In-Core fuel Management Design and Operation Problem

    NASA Astrophysics Data System (ADS)

    Prayudhatama, D.; Waris, A.; Kurniasih, N.; Kurniadi, R.

    2010-06-01

    In-core fuel management study is a crucial activity in nuclear power plant design and operation. Its common problem is to find an optimum arrangement of fuel assemblies inside the reactor core. Main objective for this activity is to reduce the cost of generating electricity, which can be done by altering several physical properties of the nuclear reactor without violating any of the constraints imposed by operational and safety considerations. This research try to address the problem of nuclear fuel arrangement problem, which is, leads to the multi-objective optimization problem. However, the calculation of the reactor core physical properties itself is a heavy computation, which became obstacle in solving the optimization problem by using genetic algorithm optimization. This research tends to address that problem by using the emerging General Purpose Computation on Graphics Processing Units (GPGPU) techniques implemented by C language for CUDA (Compute Unified Device Architecture) parallel programming. By using this parallel programming technique, we develop parallelized nuclear reactor fitness calculation, which is involving numerical finite difference computation. This paper describes current prototype of the parallel algorithm code we have developed on CUDA, that performs one hundreds finite difference calculation for nuclear reactor fitness evaluation in parallel by using GPU G9 Hardware Series developed by NVIDIA.

  11. GPU Based General-Purpose Parallel computing to Solve Nuclear Reactor In-Core fuel Management Design and Operation Problem

    SciTech Connect

    Prayudhatama, D.; Waris, A.; Kurniasih, N.; Kurniadi, R.

    2010-06-22

    In-core fuel management study is a crucial activity in nuclear power plant design and operation. Its common problem is to find an optimum arrangement of fuel assemblies inside the reactor core. Main objective for this activity is to reduce the cost of generating electricity, which can be done by altering several physical properties of the nuclear reactor without violating any of the constraints imposed by operational and safety considerations. This research try to address the problem of nuclear fuel arrangement problem, which is, leads to the multi-objective optimization problem. However, the calculation of the reactor core physical properties itself is a heavy computation, which became obstacle in solving the optimization problem by using genetic algorithm optimization.This research tends to address that problem by using the emerging General Purpose Computation on Graphics Processing Units (GPGPU) techniques implemented by C language for CUDA (Compute Unified Device Architecture) parallel programming. By using this parallel programming technique, we develop parallelized nuclear reactor fitness calculation, which is involving numerical finite difference computation. This paper describes current prototype of the parallel algorithm code we have developed on CUDA, that performs one hundreds finite difference calculation for nuclear reactor fitness evaluation in parallel by using GPU G9 Hardware Series developed by NVIDIA.

  12. Feasibility of near-infrared diffuse optical spectroscopy on patients undergoing image-guided core-needle biopsy

    PubMed Central

    Yu, Bing; Burnside, Elizabeth S.; Sisney, Gale A.; Harter, Josephine M.; Zhu, Changfang; Dhalla, Al-Hafeez; Ramanujam, Nirmala

    2009-01-01

    We describe a side-firing fiber optic sensor based on near-infrared spectroscopy for guiding core needle biopsy diagnosis of breast cancer. The sensor is composed of three side firing optical fibers (two source fibers and one detection fiber), providing two source-detector separations. The entire assembly is inserted into a core biopsy needle, allowing for sampling to occur at the biopsy site. A multi-wavelength frequency-domain near-infrared instrument is used to collect diffuse reflectance in the breast tissue through an aperture on the biopsy needle before the tissue is removed for histology. Preliminary in vivo measurements performed on 10 normal or benign breast tissues from 5 women undergoing stereo- or ultrasound-guided core needle biopsy show the ability of the system to determine tissue optical properties and constituent concentrations, which are correlated with breast tissue composition derived from histopathology. PMID:19547057

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  14. [Study on the skin-core evolvement of carbon fibers as a function of heat treatment temperature by Raman spectroscopy].

    PubMed

    Liu, Fu-jie; Fan, Li-dong; Wang, Hao-jing; Zhu, Zhen-ping

    2008-08-01

    The skin-core evolvement of the carbon fibers was studied as a function of heat-treatment temperature though the analysis of Raman spectroscopy of the carbon fibers surface and core. It was found that the change of the Raman spectra of the carbon fibers core was similar to that on the surface with the increase in heat-treatment temperature. At 1600 degrees C, the Rs and Rc values were almost equal, indicating that the degrees of the graphitization of the carbon fibers surface and core were almost uniform. The Rs and Rc values decreased dramatically with the increase in heat-treatment temperature, and Rs decreased more. At 2800 degrees C, the Rs value came to 0.429, lowered 77.2%, while the Rc value then came to 1.101, lowered 38.7% only. It implied that the graphitization degree of the carbon fibers was enhanced with increasing the heat treatment temperature, and that of carbon fibers surface was enhanced more. The graphite characters of the carbon of the carbon fibers surface were different from that of the carbon fibers core. The former is close to soft carbon, which is easy to graphitize, while the latter is close to hard carbon, which is difficult to graphitize, and it may be resin carbon Skin-core structure gene Rsc (= Rs/Rc) which denoted the skin-core degree of the carbon fibers was first brought forward and adopted. The Rsc value is between 0 and 1. When the Rsc value is equal to 1, the carbon fibers are homogenous. When the Rsc value is close to zero, there are serious skin-core structures in the carbon fibers. The Rsc value reduced linearly with the increase in heat-treatment temperature, indicating that the homogeneous degrees of the carbon fibers decreased and the skin-core degrees of the carbon fibers increased. The crystallite size of the carbon fibers surface and core increased gradually with the increase in heat-treatment temperature, but the surface's increased more quickly, indicating that the carbon of the carbon fibers surface was easier to

  15. Nuclear magnetic resonance spectroscopy is highly sensitive for lipid-soluble metabolites.

    PubMed

    Dai, Haiyang; Hong, Bikai; Xu, Zhifeng; Ma, Lian; Chen, Yaowen; Xiao, Yeyu; Wu, Renhua

    2013-08-05

    Although the water-soluble metabolite profile of human mesenchymal stem cells is known, the lipid profile still needs further investigation. In this study, methanol-chloroform was used to extract pid-soluble metabolites and perchloric acid was used to extract water-soluble metabolites. Furthermore, a dual phase extraction method using methanol-chloroform and water was used to obtain both water and lipid fractions simultaneously. All metabolite extractions were analyzed on a 9.4T high-resolution nuclear magnetic resonance spectrometer. Metabolite resonance peaks were assigned in the acquired spectra according to the chemical shift, and the extraction efficiency of ferent methods was compared. Results showed that in the spectra of water-soluble extracts, major metabolites comprised low molecular weight metabolites, including lactate, acetic acid, fatty acids, threonine, glutamic acid, creatine, choline and its derivatives, while in the spectra of lipid-soluble extracts, most metabolites were assigned to fatty acids. Among the different extraction procedures, perchloric acid was more efficient in extracting water-soluble metabolites and methanol-chloroform was efficient in extracting organic components compared with the dual phase extraction method. Nuclear magnetic resonance spectroscopy showed that as low as 0.7 mg organic yield was enough to obtain clear resonance peaks, while about 6.0 mg water-soluble yield was needed to obtain relatively favorable spectral lines. These results show that the efficiency of extracting water and lipid fractions is higher using perchloric acid and methanol-chloroform compared with dual phase extraction and that nuclear magnetic resonance spectroscopy is highly sensitive for analyzing lipid-soluble extracts.

  16. Exploring laser-induced breakdown spectroscopy for nuclear materials analysis and in-situ applications

    NASA Astrophysics Data System (ADS)

    Martin, Madhavi Z.; Allman, Steve; Brice, Deanne J.; Martin, Rodger C.; Andre, Nicolas O.

    2012-08-01

    Laser-induced breakdown spectroscopy (LIBS) has been used to determine the limits of detection of strontium (Sr) and cesium (Cs), common nuclear fission products. Additionally, detection limits were determined for cerium (Ce), often used as a surrogate for radioactive plutonium in laboratory studies. Results were obtained using a laboratory instrument with a Nd:YAG laser at fundamental wavelength of 1064 nm, frequency doubled to 532 nm with energy of 50 mJ/pulse. The data was compared for different concentrations of Sr and Ce dispersed in a CaCO3 (white) and carbon (black) matrix. We have addressed the sampling errors, limits of detection, reproducibility, and accuracy of measurements as they relate to multivariate analysis in pellets that were doped with the different elements at various concentrations. These results demonstrate that LIBS technique is inherently well suited for in situ analysis of nuclear materials in hot cells. Three key advantages are evident: (1) small samples (mg) can be evaluated; (2) nuclear materials can be analyzed with minimal sample preparation; and (3) samples can be remotely analyzed very rapidly (ms-seconds). Our studies also show that the methods can be made quantitative. Very robust multivariate models have been used to provide quantitative measurement and statistical evaluation of complex materials derived from our previous research on wood and soil samples.

  17. Single Hepatitis-B Virus Core Capsid Binding to Individual Nuclear Pore Complexes in HeLa Cells

    PubMed Central

    Lill, Yoriko; Lill, Markus A.; Fahrenkrog, Birthe; Schwarz-Herion, Kyrill; Paulillo, Sara; Aebi, Ueli; Hecht, Bert

    2006-01-01

    We investigate the interaction of hepatitis B virus capsids lacking a nuclear localization signal with nuclear pore complexes (NPCs) in permeabilized HeLa cells. Confocal and wide-field optical images of the nuclear envelope show well-spaced individual NPCs. Specific interactions of capsids with single NPCs are characterized by extended residence times of capsids in the focal volume which are characterized by fluorescence correlation spectroscopy. In addition, single-capsid-tracking experiments using fast wide-field fluorescence microscopy at 50 frames/s allow us to directly observe specific binding via a dual-color colocalization of capsids and NPCs. We find that binding occurs with high probability on the nuclear-pore ring moiety, at 44 ± 9 nm radial distance from the central axis. PMID:16877503

  18. Nonhistone nuclear high mobility group proteins 14 and 17 stabilize nucleosome core particles

    SciTech Connect

    Paton, A.E.; Wilkinson-Singley, E.; Olins, D.W.

    1983-11-10

    Nucleosome core particles form well defined complexes with the nuclear nonhistone proteins HMG 14 or 17. The binding of HMG 14 or 17 to nucleosomes results in greater stability of the nucleosomal DNA as shown by circular dichroism and thermal denaturation. Under appropriate conditions the binding is cooperative, and cooperativity is ionic strength dependent. The specificity and cooperative transitions of high mobility group (HMG) binding are preserved in 1 M urea. Specificity is lost in 4 M urea. Thermal denaturation and circular dichroism show a dramatic reversal of the effects of urea on nucleosomes when HMG 14 or 17 is bound, indicating stabilization of the nucleosome by HMG proteins. Complexes formed between reconstructed nucleosomes containing purified inner histones plus poly (dA-dT) and HMG 14 or 17 demonstrate that the HMG binding site requires only DNA and histones. Electron microscopy reveals no major structural alterations in the nucleosome upon binding of HMG 14 or 17. Cross-linking the nucleosome extensively with formaldehyde under cooperative HMG binding conditions does not prevent the ionic strength-dependent shift to noncooperative binding. This suggests mechanisms other than internal nucleosome conformational changes may be involved in cooperative HMG binding.

  19. Physics-based multiscale coupling for full core nuclear reactor simulation

    SciTech Connect

    Gaston, Derek R.; Permann, Cody J.; Peterson, John W.; Slaughter, Andrew E.; Andrš, David; Wang, Yaqi; Short, Michael P.; Perez, Danielle M.; Tonks, Michael R.; Ortensi, Javier; Zou, Ling; Martineau, Richard C.

    2015-10-01

    Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different data exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license

  20. Physics-based multiscale coupling for full core nuclear reactor simulation

    DOE PAGES

    Gaston, Derek R.; Permann, Cody J.; Peterson, John W.; ...

    2015-10-01

    Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different datamore » exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license« less

  1. General equation for size nanocharacterization of the core-shell nanoparticles by X-ray photoelectron spectroscopy.

    PubMed

    Gillet, Jean-Numa; Meunier, Michel

    2005-05-12

    Nanocharacterization is essential for nanoengineering of new types of core-shell (c-s) nanoparticles, which can be used to design new devices for photonics, electronics, catalysis, medicine, etc. X-ray photoelectron spectroscopy (XPS) has been widely used to study the elemental composition of the c-s nanoparticles. However, the physical and chemical properties of a c-s nanoparticle dramatically depend on the sizes of its core and shell. We therefore propose a general equation for the XPS intensity of a c-s nanoparticle, which is based on an analytical model. With this equation, XPS can now also be used for nanocharacterization of the core and shell sizes of the c-s nanoparticles (with a diameter smaller than or equal to the XPS probing depth of approximately 10 nm). To validate the new equation with experimental XPS data, we first determine the average shell thickness of a group of c-s nanoparticles by comparing the XPS intensity of reference bare cores to that of the c-s nanoparticles. Then we study the growth kinetics of the cores and shells of another group of c-s nanoparticles where the shells are obtained by oxidation.

  2. Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance raman spectroscopy.

    PubMed

    Xiao, Yuming; Wang, Hongxin; George, Simon J; Smith, Matt C; Adams, Michael W W; Jenney, Francis E; Sturhahn, Wolfgang; Alp, Ercan E; Zhao, Jiyong; Yoda, Y; Dey, Abishek; Solomon, Edward I; Cramer, Stephen P

    2005-10-26

    We have used (57)Fe nuclear resonance vibrational spectroscopy (NRVS) to study the Fe(S(cys))(4) site in reduced and oxidized rubredoxin (Rd) from Pyrococcus furiosus (Pf). The oxidized form has also been investigated by resonance Raman spectroscopy. In the oxidized Rd NRVS, strong asymmetric Fe-S stretching modes are observed between 355 and 375 cm(-1); upon reduction these modes shift to 300-320 cm(-1). This is the first observation of Fe-S stretching modes in a reduced Rd. The peak in S-Fe-S bend mode intensity is at approximately 150 cm(-1) for the oxidized protein and only slightly lower in the reduced case. A third band occurs near 70 cm(-1) for both samples; this is assigned primarily as a collective motion of entire cysteine residues with respect to the central Fe. The (57)Fe partial vibrational density of states (PVDOS) were interpreted by normal mode analysis with optimization of Urey-Bradley force fields. The three main bands were qualitatively reproduced using a D(2)(d) Fe(SC)(4) model. A C(1) Fe(SCC)(4) model based on crystallographic coordinates was then used to simulate the splitting of the asymmetric stretching band into at least 3 components. Finally, a model employing complete cysteines and 2 additional neighboring atoms was used to reproduce the detailed structure of the PVDOS in the Fe-S stretch region. These results confirm the delocalization of the dynamic properties of the redox-active Fe site. Depending on the molecular model employed, the force constant K(Fe-S) for Fe-S stretching modes ranged from 1.24 to 1.32 mdyn/A. K(Fe-S) is clearly diminished in reduced Rd; values from approximately 0.89 to 1.00 mdyn/A were derived from different models. In contrast, in the final models the force constants for S-Fe-S bending motion, H(S-Fe-S), were 0.18 mdyn/A for oxidized Rd and 0.15 mdyn/A for reduced Rd. The NRVS technique demonstrates great promise for the observation and quantitative interpretation of the dynamical properties of Fe-S proteins.

  3. Alkaline Earth Core Level Photoemission Spectroscopy of High-Temperature Superconductors

    NASA Technical Reports Server (NTRS)

    Vasquez, R.

    1993-01-01

    This paper examines photoemission measurements of the alkaline Earth core levels of high-temperature superconductors and related materials, models that seek to explain the large negative shifts observed relative to the corresponding alkaline Earth metals, and the effect of lattice site disorder on the core level spectra and the presence or absence of intrinsic surface peaks.

  4. A portable fluorescence spectroscopy imaging system for automated root phenotyping in soil cores in the field.

    PubMed

    Wasson, Anton; Bischof, Leanne; Zwart, Alec; Watt, Michelle

    2016-02-01

    Root architecture traits are a target for pre-breeders. Incorporation of root architecture traits into new cultivars requires phenotyping. It is attractive to rapidly and directly phenotype root architecture in the field, avoiding laboratory studies that may not translate to the field. A combination of soil coring with a hydraulic push press and manual core-break counting can directly phenotype root architecture traits of depth and distribution in the field through to grain development, but large teams of people are required and labour costs are high with this method. We developed a portable fluorescence imaging system (BlueBox) to automate root counting in soil cores with image analysis software directly in the field. The lighting system was optimized to produce high-contrast images of roots emerging from soil cores. The correlation of the measurements with the root length density of the soil cores exceeded the correlation achieved by human operator measurements (R (2)=0.68 versus 0.57, respectively). A BlueBox-equipped team processed 4.3 cores/hour/person, compared with 3.7 cores/hour/person for the manual method. The portable, automated in-field root architecture phenotyping system was 16% more labour efficient, 19% more accurate, and 12% cheaper than manual conventional coring, and presents an opportunity to directly phenotype root architecture in the field as part of pre-breeding programs. The platform has wide possibilities to capture more information about root health and other root traits in the field.

  5. Coexistence of bound and virtual-bound states in shallow-core to valence x-ray spectroscopies

    NASA Astrophysics Data System (ADS)

    Sen Gupta, Subhra; Bradley, J. A.; Haverkort, M. W.; Seidler, G. T.; Tanaka, A.; Sawatzky, G. A.

    2011-08-01

    With the example of the non-resonant inelastic x-ray scattering (NIXS) at the O45 edges (5d→5f) of the actinides, we develop the theory for shallow-core to valence excitations, where the multiplet spread is larger than the core-hole attraction, such as if the core and valence orbitals have the same principal quantum number. This involves very strong final state configuration interaction (CI), which manifests itself as huge reductions in the Slater-Condon integrals, needed to explain the spectral shapes within a simple renormalized atomic multiplet theory. But more importantly, this results in a cross-over from bound (excitonic) to virtual-bound excited states with increasing energy, within the same core-valance multiplet structure, and in large differences between the dipole and high-order multipole transitions, as observed in NIXS. While the bound states (often higher multipole allowed) can still be modeled using local cluster-like models, the virtual-bound resonances (often dipole-allowed) cannot be interpreted within such local approaches. This is in stark contrast to the more familiar core-valence transitions between different principal quantum number shells, where all the final excited states almost invariably form bound core-hole excitons and can be modeled using local approaches. The possibility of observing giant multipole resonances for systems with high angular momentum ground states is also predicted. The theory is important to obtain ground state information from core-level x-ray spectroscopies of strongly correlated transition metal, rare-earth, and actinide systems.

  6. Applications of LaBr3(Ce) Gamma-ray Spectrometer Arrays for Nuclear Spectroscopy and Radionuclide Assay

    NASA Astrophysics Data System (ADS)

    Regan, PH; Shearman, R.; Daniel, T.; Lorusso, G.; Collins, SM; Judge, SM; Bell; Pearce, AK; Gurgi, LA; Rudigier, M.; Podolyák, Zs; Mărginean, N.; Mărginean, R.; Kisyov, S.

    2016-10-01

    An overview of the use of discrete energy gamma-ray detectors based on cerium- doped LaBr3 scintillators for use in nuclear spectroscopy is presented. This review includes recent applications of such detectors in mixed, 'hybrid' gamma-ray coincidence detection arrays such ROSPHERE at IFIN-HH, Bucharest; EXILL+FATIMA at ILL Grenoble, France; GAMMASPHERE+FATIMA at Argonne National Laboratory, USA; FATIMA + EURICA, at RIKEN, Japan; and the National Nuclear Array (NANA) at the UK's National Physical Laboratory. This conference paper highlights the capabilities and limitations of using these sub-nanosecond 'fast-timing', medium-resolution gamma-ray detectors for both nuclear structure research and radionuclide standardisation. Potential future application of such coincidence scintillator arrays in measurements of civilian nuclear fuel waste evaluation and assay is demonstrated using coincidence spectroscopy of a mixed 134,7Cs source.

  7. Extensive water ice within Ceres' aqueously altered regolith: Evidence from nuclear spectroscopy.

    PubMed

    Prettyman, T H; Yamashita, N; Toplis, M J; McSween, H Y; Schörghofer, N; Marchi, S; Feldman, W C; Castillo-Rogez, J; Forni, O; Lawrence, D J; Ammannito, E; Ehlmann, B L; Sizemore, H G; Joy, S P; Polanskey, C A; Rayman, M D; Raymond, C A; Russell, C T

    2017-01-06

    The surface elemental composition of dwarf planet Ceres constrains its regolith ice content, aqueous alteration processes, and interior evolution. Using nuclear spectroscopy data acquired by NASA's Dawn mission, we determined the concentrations of elemental hydrogen, iron, and potassium on Ceres. The data show that surface materials were processed by the action of water within the interior. The non-icy portion of Ceres' carbon-bearing regolith contains similar amounts of hydrogen to those present in aqueously altered carbonaceous chondrites; however, the concentration of iron on Ceres is lower than in the aforementioned chondrites. This allows for the possibility that Ceres experienced modest ice-rock fractionation, resulting in differences between surface and bulk composition. At mid-to-high latitudes, the regolith contains high concentrations of hydrogen, consistent with broad expanses of water ice, confirming theoretical predictions that ice can survive for billions of years just beneath the surface.

  8. Development of multichannel analyzer using sound card ADC for nuclear spectroscopy system

    NASA Astrophysics Data System (ADS)

    Ibrahim, Maslina Mohd; Yussup, Nolida; Lombigit, Lojius; Rahman, Nur Aira Abdul; Jaafar, Zainudin

    2014-02-01

    This paper describes the development of Multi-Channel Analyzer (MCA) using sound card analogue to digital converter (ADC) for nuclear spectroscopy system. The system was divided into a hardware module and a software module. Hardware module consist of detector NaI (Tl) 2" by 2", Pulse Shaping Amplifier (PSA) and a build in ADC chip from readily available in any computers' sound system. The software module is divided into two parts which are a pre-processing of raw digital input and the development of the MCA software. Band-pass filter and baseline stabilization and correction were implemented for the pre-processing. For the MCA development, the pulse height analysis method was used to process the signal before displaying it using histogram technique. The development and tested result for using the sound card as an MCA are discussed.

  9. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    SciTech Connect

    Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko; Engel, Volker; Gomez, Sandra; Sola, Ignacio R.

    2015-07-28

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  10. Nature versus nurture: Functional assessment of restoration effects on wetland services using Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Sundareshwar, P. V.; Richardson, C. J.; Gleason, Robert A.; Pellechia, Perry J.; Honomichl, Shawn

    2009-02-01

    Land-use change has altered the ability of wetlands to provide vital services such as nutrient retention. While compensatory practices attempt to restore degraded wetlands and their functions, it is difficult to evaluate the recovery of soil biogeochemical functions that are critical for restoration of ecosystem services. Using solution 31P Nuclear Magnetic Resonance Spectroscopy, we examined the chemical forms of phosphorus (P) in soils from wetlands located across a land-use gradient. We report that soil P diversity, a functional attribute, was lowest in farmland, and greatest in native wetlands. Soil P diversity increased with age of restoration, indicating restoration of biogeochemical function. The trend in soil P diversity was similar to documented trends in soil bacterial taxonomic composition but opposite that of soil bacterial diversity at our study sites. These findings provide insights into links between ecosystem structure and function and provide a tool for evaluating the success of ecosystem restoration efforts.

  11. Nuclear magnetic resonance spectroscopy for determining the functional content of organic aerosols: a review.

    PubMed

    Chalbot, Marie-Cecile G; Kavouras, Ilias G

    2014-08-01

    The knowledge deficit of organic aerosol (OA) composition has been identified as the most important factor limiting our understanding of the atmospheric fate and implications of aerosol. The efforts to chemically characterize OA include the increasing utilization of nuclear magnetic resonance spectroscopy (NMR). Since 1998, the functional composition of different types, sizes and fractions of OA has been studied with one-dimensional, two-dimensional and solid state proton and carbon-13 NMR. This led to the use of functional group ratios to reconcile the most important sources of OA, including secondary organic aerosol and initial source apportionment using positive matrix factorization. Future research efforts may be directed towards the optimization of experimental parameters, detailed NMR experiments and analysis by pattern recognition methods to identify the chemical components, determination of the NMR fingerprints of OA sources and solid state NMR to study the content of OA as a whole.

  12. A dynamic nuclear polarization strategy for multi-dimensional Earth's field NMR spectroscopy.

    PubMed

    Halse, Meghan E; Callaghan, Paul T

    2008-12-01

    Dynamic nuclear polarization (DNP) is introduced as a powerful tool for polarization enhancement in multi-dimensional Earth's field NMR spectroscopy. Maximum polarization enhancements, relative to thermal equilibrium in the Earth's magnetic field, are calculated theoretically and compared to the more traditional prepolarization approach for NMR sensitivity enhancement at ultra-low fields. Signal enhancement factors on the order of 3000 are demonstrated experimentally using DNP with a nitroxide free radical, TEMPO, which contains an unpaired electron which is strongly coupled to a neighboring (14)N nucleus via the hyperfine interaction. A high-quality 2D (19)F-(1)H COSY spectrum acquired in the Earth's magnetic field with DNP enhancement is presented and compared to simulation.

  13. QED, Nuclear Size, and the Cosmos: Applications of High Precision Atomic Spectroscopy

    NASA Astrophysics Data System (ADS)

    Gillaspy, John

    2013-04-01

    I will survey some recent results from the Atomic Spectroscopy Group at NIST, focusing on topics that are most relevant to this Meeting, including evidence for a discrepancy between experiment and calculation based on three-body quantum electrodynamics (QED) [PRL, 109, 153001 (2012)], testing a method for determining nuclear sizes at the sub-attometer scale [PRL, 107, 023001 (2011)], and determining x-ray line ratios for astrophysical plasma diagnostics [ApJ, 728, 132 (2011)]. A common theme underlying these studies is to establish a basis for understanding discrepancies between prior results from various groups. This work was done in collaboration with S. Brewer, N. Brickhouse, R. Brown, C. Chantler, G.-X. Chen, A. Henins, L. Hudson, J. Kimpton, M. Kinnane, J. Laming, T. Lin, K. Makonyi, A. Payne, J. Pomeroy, J. Porto, C. Sansonetti, E. Silver, C. Simien, L. Smale, E. Takacs, J. Tan, L. Tedesco, and S. Wu.

  14. Nature versus nurture: functional assessment of restoration effects on wetland services using Nuclear Magnetic Resonance Spectroscopy

    USGS Publications Warehouse

    Sundareshwar, P.V.; Richardson, C.J.; Gleason, R.A.; Pellechia, P.J.; Honomichl, S.

    2009-01-01

    Land-use change has altered the ability of wetlands to provide vital services such as nutrient retention. While compensatory practices attempt to restore degraded wetlands and their functions, it is difficult to evaluate the recovery of soil biogeochemical functions that are critical for restoration of ecosystem services. Using solution 31P Nuclear Magnetic Resonance Spectroscopy, we examined the chemical forms of phosphorus (P) in soils from wetlands located across a land-use gradient. We report that soil P diversity, a functional attribute, was lowest in farmland, and greatest in native wetlands. Soil P diversity increased with age of restoration, indicating restoration of biogeochemical function. The trend in soil P diversity was similar to documented trends in soil bacterial taxonomic composition but opposite that of soil bacterial diversity at our study sites. These findings provide insights into links between ecosystem structure and function and provide a tool for evaluating the success of ecosystem restoration efforts. Copyright 2009 by the American Geophysical Union.

  15. Nuclear structure corrections for μ4He+ and μ3He+ spectroscopy

    NASA Astrophysics Data System (ADS)

    Nevo Dinur, Nir; Ji, Chen; Hernandez, Oscar; Bacca, Sonia; Barnea, Nir

    2016-09-01

    The proton charge radius was recently determined from muonic hydrogen spectroscopy with tenfold improved precision but 7 . 9 σ disagreement with the accepted value, leading to the ``proton radius puzzle''. To further investigate, and to obtain precise radii, these measurements were repeated in μ4He+ and μ3He+. This may also shed light on the discrepancy between isotope-shift measurements of the 4He -3He radius difference. However, the precision of radii determined from the muonic experiments is limited by the uncertainties in the nuclear structure corrections. We present first ab-initio calculations of these corrections that reduced the uncertainties from 20 % to the few percent goal. TRIUMF receives federal funding via a contribution agreement with the National Research Council of Canada. This work was supported in parts by the Natural Sciences and Engineering Research Council (Grant Number SAPIN-2015-00031).

  16. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    NASA Astrophysics Data System (ADS)

    Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R.; Hildenbrand, Heiko; Engel, Volker

    2015-07-01

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  17. Development of multichannel analyzer using sound card ADC for nuclear spectroscopy system

    SciTech Connect

    Ibrahim, Maslina Mohd; Yussup, Nolida; Lombigit, Lojius; Rahman, Nur Aira Abdul; Jaafar, Zainudin

    2014-02-12

    This paper describes the development of Multi-Channel Analyzer (MCA) using sound card analogue to digital converter (ADC) for nuclear spectroscopy system. The system was divided into a hardware module and a software module. Hardware module consist of detector NaI (Tl) 2” by 2”, Pulse Shaping Amplifier (PSA) and a build in ADC chip from readily available in any computers’ sound system. The software module is divided into two parts which are a pre-processing of raw digital input and the development of the MCA software. Band-pass filter and baseline stabilization and correction were implemented for the pre-processing. For the MCA development, the pulse height analysis method was used to process the signal before displaying it using histogram technique. The development and tested result for using the sound card as an MCA are discussed.

  18. High-performance gamma spectroscopy for equipment retrieval from Hanford high-level nuclear waste tanks

    NASA Astrophysics Data System (ADS)

    Troyer, Gary L.; Hillesand, K. E.; Goodwin, S. G.; Kessler, S. F.; Killian, E. W.; Legare, D.; Nelson, Joseph V., Jr.; Richard, R. F.; Nordquist, E. M.

    1999-01-01

    The cleanup of high level defense nuclear waste at the Hanford site presents several progressive challenges. Among these is the removal and disposal of various components from buried active waste tanks to allow new equipment insertion or hazards mitigation. A unique automated retrieval system at the tank provides for retrieval, high pressure washing, inventory measurement, and containment for disposal. Key to the inventory measurement is a three detector HPGe high performance gamma spectroscopy system capable of recovering data at up to ninety per cent saturation (200,000 counts per second). Data recovery is based on a unique embedded electronic pulser and specialized software to report the inventory. Each of the detectors have different shielding specified through Monte Carlo simulation with the MCNP program. This shielding provides performance over a dynamic range of eight orders of magnitude. System description, calibration issues and operational experiences are discussed.

  19. Scanning Tunneling Spectroscopy in the Superconducting State and Vortex Cores of the β-Pyrochlore KOs2O6

    NASA Astrophysics Data System (ADS)

    Dubois, C.; Santi, G.; Cuttat, I.; Berthod, C.; Jenkins, N.; Petrović, A. P.; Manuel, A. A.; Fischer, Ø.; Kazakov, S. M.; Bukowski, Z.; Karpinski, J.

    2008-08-01

    We performed the first scanning tunneling spectroscopy measurements on the pyrochlore superconductor KOs2O6 (Tc=9.6K) in both zero magnetic field and the vortex state at several temperatures above 1.95 K. This material presents atomically flat surfaces, yielding spatially homogeneous spectra which reveal fully gapped superconductivity with a gap anisotropy of 30%. Measurements performed at fields of 2 and 6 T display a hexagonal Abrikosov flux line lattice. From the shape of the vortex cores, we extract a coherence length of 31 40 Å, in agreement with the value derived from the upper critical field Hc2. We observe a reduction in size of the vortex cores (and hence the coherence length) with increasing field which is consistent with the unexpectedly high and unsaturated upper critical field reported.

  20. A portable fluorescence spectroscopy imaging system for automated root phenotyping in soil cores in the field

    PubMed Central

    Wasson, Anton; Bischof, Leanne; Zwart, Alec; Watt, Michelle

    2016-01-01

    Root architecture traits are a target for pre-breeders. Incorporation of root architecture traits into new cultivars requires phenotyping. It is attractive to rapidly and directly phenotype root architecture in the field, avoiding laboratory studies that may not translate to the field. A combination of soil coring with a hydraulic push press and manual core-break counting can directly phenotype root architecture traits of depth and distribution in the field through to grain development, but large teams of people are required and labour costs are high with this method. We developed a portable fluorescence imaging system (BlueBox) to automate root counting in soil cores with image analysis software directly in the field. The lighting system was optimized to produce high-contrast images of roots emerging from soil cores. The correlation of the measurements with the root length density of the soil cores exceeded the correlation achieved by human operator measurements (R 2=0.68 versus 0.57, respectively). A BlueBox-equipped team processed 4.3 cores/hour/person, compared with 3.7 cores/hour/person for the manual method. The portable, automated in-field root architecture phenotyping system was 16% more labour efficient, 19% more accurate, and 12% cheaper than manual conventional coring, and presents an opportunity to directly phenotype root architecture in the field as part of pre-breeding programs. The platform has wide possibilities to capture more information about root health and other root traits in the field. PMID:26826219

  1. Corrosion at Nuclear Power Plant from Mössbauer Spectroscopy Point of View

    NASA Astrophysics Data System (ADS)

    Slugeň, V.; Lipka, J.; Dekan, J.; Tóth, I.; Smieško, I.

    2010-07-01

    Steam generators of four VVER-440 units at nuclear power plants V-1 and V-2 in Jaslovske Bohunice (Slovakia) were gradually changed by new original "Bohunice" design in the 1994-1998 period. Corrosion processes before and after these design and material changes in Bohunice secondary circuit were studied using Mössbauer spectroscopy during the last 25 years. Innovations in the feed water pipeline design as well as material composition improvements were evaluated positively. Mössbauer spectroscopy studies of phase composition of corrosion products were performed on real specimens scrapped from water pipelines or in the form of filters deposits. The corrosion of new feed water pipelines system (from austenitic steel) in combination to innovated operation regimes goes dominantly to magnetite. The hematite presence is mostly on the internal surface of steam generator body and its concentration increases towards the top of the body. In the results interpretation it is necessary to consider also erosion as well as scope and type of maintenance activities. The long-term study of phase composition of corrosion products at VVER reactors is one of precondition for the safe operation over the projected NPP lifetime. Keywords: Enter Keywords here. Text should remain 10-pt.

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

    PubMed Central

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

    2014-01-01

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

  3. Mapping inhibitor binding modes on an active cysteine protease via nuclear magnetic resonance spectroscopy.

    PubMed

    Lee, Gregory M; Balouch, Eaman; Goetz, David H; Lazic, Ana; McKerrow, James H; Craik, Charles S

    2012-12-18

    Cruzain is a member of the papain/cathepsin L family of cysteine proteases, and the major cysteine protease of the protozoan Trypanosoma cruzi, the causative agent of Chagas disease. We report an autoinduction methodology that provides soluble cruzain in high yields (>30 mg/L in minimal medium). These increased yields provide sufficient quantities of active enzyme for use in nuclear magnetic resonance (NMR)-based ligand mapping. Using circular dichroism and NMR spectroscopy, we also examined the solution-state structural dynamics of the enzyme in complex with a covalently bound vinyl sulfone inhibitor (K777). We report the backbone amide and side chain carbon chemical shift assignments of cruzain in complex with K777. These resonance assignments were used to identify and map residues located in the substrate binding pocket, including the catalytic Cys25 and His162. Selective [(15)N]Cys, [(15)N]His, and [(13)C]Met labeling was performed to quickly assess cruzain-ligand interactions for a set of eight low-molecular weight compounds exhibiting micromolar binding or inhibition. Chemical shift perturbation mapping verified that six of the eight compounds bind to cruzain at the active site. Three different binding modes were delineated for the compounds, namely, covalent, noncovalent, and noninteracting. These results provide examples of how NMR spectroscopy can be used to screen compounds for fast evaluation of enzyme-inhibitor interactions to facilitate lead compound identification and subsequent structural studies.

  4. Dynamics of asymmetric binary glass formers. II. Results from nuclear magnetic resonance spectroscopy

    SciTech Connect

    Bock, D.; Kahlau, R.; Pötzschner, B.; Körber, T.; Wagner, E.; Rössler, E. A.

    2014-03-07

    Various {sup 2}H and {sup 31}P nuclear magnetic resonance (NMR) spectroscopy techniques are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene-d{sub 3} (PS) over the full concentration range. The results are quantitatively compared to those of a dielectric spectroscopy (DS) study on the same system previously published [R. Kahlau, D. Bock, B. Schmidtke, and E. A. Rössler, J. Chem. Phys. 140, 044509 (2014)]. While the PS dynamics does not significantly change in the mixtures compared to that of neat PS, two fractions of TPP molecules are identified, one joining the glass transition of PS in the mixture (α{sub 1}-process), the second reorienting isotropically (α{sub 2}-process) even in the rigid matrix of PS, although at low concentration resembling a secondary process regarding its manifestation in the DS spectra. Pronounced dynamical heterogeneities are found for the TPP α{sub 2}-process, showing up in extremely stretched, quasi-logarithmic stimulated echo decays. While the time window of NMR is insufficient for recording the full correlation functions, DS results, covering a larger dynamical range, provide a satisfactory interpolation of the NMR data. Two-dimensional {sup 31}P NMR spectra prove exchange within the broadly distributed α{sub 2}-process. As demonstrated by {sup 2}H NMR, the PS matrix reflects the faster α{sub 2}-process of TPP by performing a spatially highly hindered motion on the same timescale.

  5. [Characterization of biochar by X-ray photoelectron spectroscopy and 13C nuclear magnetic resonance].

    PubMed

    Xu, Dong-yu; Jin, Jie; Yan, Yu; Han, Lan-fang; Kang, Ming-jie; Wang, Zi-ying; Zhao, Ye; Sun, Ke

    2014-12-01

    The wood (willow branch) and grass (rice straw) materials were pyrolyzed at different temperatures (300, 450 and 600 °C) to obtain the biochars used in the present study. The biochars were characterized using elementary analysis, X-ray photoelectron spectroscopy (XPS) and solid state 13C cross-polarization and magic angle spinning nuclear magnetic resonance spectroscopy (13C NMR) to illuminate the structure and composition of the biochars which were derived from the different thermal temperatures and biomass. The results showed that the H/C, O/C and (O+N)/C ratios of the biochars decreased with the increase in the pyrolysis temperatures. The surface polarity and ash content of the grass-derived biochars were higher than those of the wood-derived biochars. The minerals of the wood-derived biochars were mainly covered by the organic matter; in contrast, parts of the mineral surfaces of the grass-derived biochars were not covered by organic matter? The 13C NMR of the low temperature-derived biochars revealed a large contribution of aromatic carbon, aliphatic carbon, carboxyl and carbonyl carbon, while the high temperature-derived biochars contained a large amount of aromatic carbon. Moreover, the wood-derived biochars produced at low heat treatment temperatures contained more lignin residues than grass-derived ones, probably due to the existence of high lignin content in the feedstock soures of wood-derived biochars. The results of the study would be useful for environmental application of biochars.

  6. Applications of nuclear magnetic resonance spectroscopy for the understanding of enantiomer separation mechanisms in capillary electrophoresis.

    PubMed

    Salgado, Antonio; Chankvetadze, Bezhan

    2016-10-07

    This review deals with the applications of nuclear magnetic resonance (NMR) spectroscopy to understand the mechanisms of chiral separation in capillary electrophoresis (CE). It is accepted that changes observed in the separation process, including the reversal of enantiomer migration order (EMO), can be caused by subtle modifications in the molecular recognition mechanisms between enantiomer and chiral selector. These modifications may imply minor structural differences in those selector-selectand complexes that arise from the above mentioned interactions. Therefore, it is mandatory to understand the fine intermolecular interactions between analytes and chiral selectors. In other words, it is necessary to know in detail the structures of the complexes formed by the enantiomer (selectand) and the selector. Any differences in the structures of these complexes arising from either enantiomer should be detected, so that enantiomeric bias in the separation process could be explained. As to the nature of these interactions, those have been extensively reviewed, and it is not intended to be discussed here. These interactions contemplate ionic, ion-dipole and dipole-dipole interactions, hydrogen bonding, van der Waals forces, π-π stacking, steric and hydrophobic interactions. The main subject of this review is to describe how NMR spectroscopy helps to gain insight into the non-covalent intermolecular interactions between selector and selectand that lead to enantiomer separation by CE. Examples in which diastereomeric species are created by covalent (irreversible) derivatization will not be considered here. This review is structured upon the different structural classes of chiral selectors employed in CE, in which NMR spectroscopy has made substantial contributions to rationalize the observed enantioseparations. Cases in which other techniques complement NMR spectroscopic data are also mentioned.

  7. Dynamics of asymmetric binary glass formers. I. A dielectric and nuclear magnetic resonance spectroscopy study

    SciTech Connect

    Kahlau, R.; Bock, D.; Schmidtke, B.; Rössler, E. A.

    2014-01-28

    Dielectric spectroscopy as well as {sup 2}H and {sup 31}P nuclear magnetic resonance spectroscopy (NMR) are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene (PS/PS-d{sub 3}) in the full concentration (c{sub TPP}) range. In addition, depolarized light scattering and differential scanning calorimetry experiments are performed. Two glass transition temperatures are found: T{sub g1}(c{sub TPP}) reflects PS dynamics and shows a monotonic plasticizer effect, while the lower T{sub g2}(c{sub TPP}) exhibits a maximum and is attributed to (faster) TPP dynamics, occurring in a slowly moving or immobilized PS matrix. Dielectric spectroscopy probing solely TPP identifies two different time scales, which are attributed to two sub-ensembles. One of them, again, shows fast TPP dynamics (α{sub 2}-process), the other (α{sub 1}-process) displays time constants identical with those of the slow PS matrix. Upon heating the α{sub 1}-fraction of TPP decreases until above some temperature T{sub c} only a single α{sub 2}-population exists. Inversely, below T{sub c} a fraction of the TPP molecules is trapped by the PS matrix. At low c{sub TPP} the α{sub 2}-relaxation does not follow frequency-temperature superposition (FTS), instead it is governed by a temperature independent distribution of activation energies leading to correlation times which follow Arrhenius laws, i.e., the α{sub 2}-relaxation resembles a secondary process. Yet, {sup 31}P NMR demonstrates that it involves isotropic reorientations of TPP molecules within a slowly moving or rigid matrix of PS. At high c{sub TPP} the super-Arrhenius temperature dependence of τ{sub 2}(T), as well as FTS are recovered, known as typical of the glass transition in neat systems.

  8. In-reactor testing of the closed cycle gas core reactor—the nuclear light bulb concept

    NASA Astrophysics Data System (ADS)

    Gauntt, Randall O.; Slutz, Stephen A.; Harms, Gary A.; Latham, Thomas S.; Roman, Ward C.; Rodgers, Richard J.

    1993-01-01

    The Nuclear Light Bulb (NLB) concept is an advanced closed cycle space propulsion rocket engine design that offers unprecidented performance characteristics in terms of specific impulse (≳1800 s) and thrust (≳445 kN). The NLB is a gas-core nuclear reactor making use of thermal radiation from a high temperature U-plasma core to heat the hydrogen propellant to very high temperatures (˜4000 K). The following paper describes analyses performed in support of the design of in-reactor tests that are planned to be performed in the Annular Core Research Reactor (ACRR) at Sandia National Laboratories in order to demonstrate the technical feasibility of this advanced concept. The tests will examine the stability of a hydrodynamically confined fissioning U-plasma under steady and transient conditions. Testing will also involve study of propellant heating by thermal radiation from the plasma and materials performance in the nuclear environment of the NLB. The analyses presented here include neutronic performance studies and U-plasma radiation heat-transport studies of small vortex-confined fissioning U-plasma experiments that are irradiated in the ACRR. These analyses indicate that high U-plasma temperatures (4000 to 9000 K) can be sustained in the ACRR for periods of time on the order of 5 to 20 s. These testing conditions are well suited to examine the stability and performance requirements necessary to demonstrate the feasibility of this concept.

  9. Thermal Hydraulics Design and Analysis Methodology for a Solid-Core Nuclear Thermal Rocket Engine Thrust Chamber

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Canabal, Francisco; Chen, Yen-Sen; Cheng, Gary; Ito, Yasushi

    2013-01-01

    Nuclear thermal propulsion is a leading candidate for in-space propulsion for human Mars missions. This chapter describes a thermal hydraulics design and analysis methodology developed at the NASA Marshall Space Flight Center, in support of the nuclear thermal propulsion development effort. The objective of this campaign is to bridge the design methods in the Rover/NERVA era, with a modern computational fluid dynamics and heat transfer methodology, to predict thermal, fluid, and hydrogen environments of a hypothetical solid-core, nuclear thermal engine the Small Engine, designed in the 1960s. The computational methodology is based on an unstructured-grid, pressure-based, all speeds, chemically reacting, computational fluid dynamics and heat transfer platform, while formulations of flow and heat transfer through porous and solid media were implemented to describe those of hydrogen flow channels inside the solid24 core. Design analyses of a single flow element and the entire solid-core thrust chamber of the Small Engine were performed and the results are presented herein

  10. Characterization of borate glasses by W-band pulse electron-nuclear double resonance spectroscopy

    SciTech Connect

    Kordas, George; Goldfarb, Daniella

    2008-10-21

    (100-x) mol % B{sub 2}O{sub 3} x mol %Me{sub 2}O (Me=Li,Na,K) glasses, exposed to {gamma}-{sup 60}Co irradiation to produce paramagnetic states, were characterized by W-band (95 GHz) pulse electron-nuclear double resonance (ENDOR) spectroscopy in order to characterize local structures occurring in the range of compositions between x=16 and x=25 at which the 'boron oxide' anomaly occurs. The high resolution of nuclear frequencies allowed resolving the {sup 7}Li and {sup 11}B ENDOR lines. In the samples with x=16 and x=20 glasses, {sup 11}B hyperfine couplings of 16, 24, and 36 MHz were observed and attributed to the tetraborate, triborate, and boron oxygen hole center (BOHC) structures, respectively. The x=25 samples showed hyperfine couplings of 15 MHz for the tetraborate and 36 MHz for BOHC. Density functional theory (DFT) calculations predicted for these structures negative hyperfine couplings, which were confirmed by W-band ENDOR. This suggests that a spin polarization mechanism accounts for the negative hyperfine structure splitting.

  11. Investigation of enzymatic C-P bond formation using multiple quantum HCP nuclear magnetic resonance spectroscopy.

    PubMed

    Hu, Kaifeng; Werner, Williard J; Allen, Kylie D; Wang, Susan C

    2015-04-01

    The biochemical mechanism for the formation of the C-P-C bond sequence found in l-phosphinothricin, a natural product with antibiotic and herbicidal activity, remains unclear. To obtain further insight into the catalytic mechanism of PhpK, the P-methyltransferase responsible for the formation of the second C-P bond in l-phosphinothricin, we utilized a combination of stable isotopes and two-dimensional nuclear magnetic resonance spectroscopy. Exploiting the newly emerged Bruker QCI probe (Bruker Corp.), we specifically designed and ran a (13) C-(31) P multiple quantum (1) H-(13) C-(31) P (HCP) experiment in (1) H-(31) P two-dimensional mode directly on a PhpK-catalyzed reaction mixture using (13) CH3 -labeled methylcobalamin as the methyl group donor. This method is particularly advantageous because minimal sample purification is needed to maximize product visualization. The observed 3:1:1:3 multiplet specifically and unequivocally illustrates direct bond formation between (13) CH3 and (31) P. Related nuclear magnetic resonance experiments based upon these principles may be designed for the study of enzymatic and/or synthetic chemical reaction mechanisms.

  12. 3D spectroscopy of merger Seyfert galaxy Mrk 334: nuclear starburst, superwind and the circumnuclear cavern

    NASA Astrophysics Data System (ADS)

    Smirnova, Aleksandrina; Moiseev, Alexei

    2010-01-01

    We are presenting new results on kinematics and structure of the Mrk 334 Seyfert galaxy. Panoramic (3D) spectroscopy is performed at the 6-m telescope of the Special Astrophysical Observatory of the Russian Academy of Sciences using the integral-field Multi-Pupil Fiber Spectrograph (MPFS) and scanning Fabry-Pérot interferometer. The deep images have revealed that Mrk 334 is observed during the final stage of its merging with a massive companion. A possible mass ratio ranges from 1/5 to 1/3. The merger has triggered mass redistribution in the disc resulting in an intensification of nuclear activity and in a burst of star formation in the inner region of the galaxy. The circumnuclear starburst is so intense that its contribution to the gas ionization exceeds that contribution of the active galactic nuclei (AGN). We interpret the nuclear gas outflow with velocities of ~200kms-1 as a galactic superwind that accompanies the violent star formation. This suggestion is consistent with the asymmetric X-ray brightness distribution in Mrk 334. The trajectory of the fragments of the disrupted satellite in the vicinity of the main galaxy nucleus can be traced. In the galaxy disc, a cavern is found that is filled with a low-density ionized gas. We consider this region to be the place where the remnants of the companion have recently penetrated through the gaseous disc of the main galaxy.

  13. Neutron activation analysis via nuclear decay kinetics using gamma-ray spectroscopy at SFU

    NASA Astrophysics Data System (ADS)

    Domingo, Thomas; Chester, Aaron; Starosta, Krzysztof; Williams, Jonathan

    2016-09-01

    Gamma-ray spectroscopy is a powerful tool used in a variety of fields including nuclear and analytical chemistry, environmental science, and health risk management. At SFU, the Germanium detector for Elemental Analysis and Radiation Studies (GEARS), a low-background shielded high-purity germanium gamma-ray detector, has been used recently in all of the above fields. The current project aims to expand upon the number of applications for which GEARS can be used while enhancing its current functionality. A recent addition to the SFU Nuclear Science laboratory is the Thermo Scientific P 385 neutron generator. This device provides a nominal yield of 3 ×108 neutrons/s providing the capacity for neutron activation analysis, opening a major avenue of research at SFU which was previously unavailable. The isotopes created via neutron activation have a wide range of half-lives. To measure and study isotopes with half-lives above a second, a new analogue data acquisition system has been installed on GEARS allowing accurate measurements of decay kinetics. This new functionality enables identification and quantification of the products of neutron activation. Results from the neutron activation analysis of pure metals will be presented.

  14. Nuclear constraints on the core-crust transition and crustal fraction of moment of inertia of neutron stars

    NASA Astrophysics Data System (ADS)

    Atta, D.; Mukhopadhyay, S.; Basu, D. N.

    2017-03-01

    The crustal fraction of moment of inertia in neutron stars is calculated using β-equilibrated nuclear matter obtained from density dependent M3Y effective interaction. The transition density, pressure and proton fraction at the inner edge separating the liquid core from the solid crust of the neutron stars are determined from the thermodynamic stability conditions. The crustal fraction of the moment of inertia can be extracted from studying pulsar glitches. This fraction is highly dependent on the core-crust transition pressure and corresponding density. These results for pressure and density at core-crust transition together with the observed minimum crustal fraction of the total moment of inertia provide a limit for the radius of the Vela pulsar: R ≥4.10 + 3.36 M/M_⊙ km.

  15. Delayed Gamma-Ray Spectroscopy for Non-Destructive Assay of Nuclear Materials

    SciTech Connect

    Ludewigt, Bernhard; Mozin, Vladimir; Campbell, Luke; Favalli, Andrea; Alan W. Hunt; Reedy, Edward T.E.; Seipel, Heather

    2015-06-01

    High-­energy, beta-delayed gamma-­ray spectroscopy is a potential, non-­destructive assay techniques for the independent verification of declared quantities of special nuclear materials at key stages of the fuel cycle and for directly assaying nuclear material inventories for spent fuel handling, interim storage, reprocessing facilities, repository sites, and final disposal. Other potential applications include determination of MOX fuel composition, characterization of nuclear waste packages, and challenges in homeland security and arms control verification. Experimental measurements were performed to evaluate fission fragment yields, to test methods for determining isotopic fractions, and to benchmark the modeling code package. Experimental measurement campaigns were carried out at the IAC using a photo-­neutron source and at OSU using a thermal neutron beam from the TRIGA reactor to characterize the emission of high-­energy delayed gamma rays from 235U, 239Pu, and 241Pu targets following neutron induced fission. Data were collected for pure and combined targets for several irradiation/spectroscopy cycle times ranging from 10/10 seconds to 15/30 minutes.The delayed gamma-ray signature of 241Pu, a significant fissile constituent in spent fuel, was measured and compared to 239Pu. The 241Pu/239Pu ratios varied between 0.5 and 1.2 for ten prominent lines in the 2700-­3600 keV energy range. Such significant differences in relative peak intensities make it possible to determine relative fractions of these isotopes in a mixed sample. A method for determining fission product yields by fitting the energy and time dependence of the delayed gamma-­ray emission was developed and demonstrated on a limited 235U data set. De-­convolution methods for determining fissile fractions were developed and tested on the experimental data. The use of high count-­rate LaBr3 detectors

  16. Xenobiotic monitoring in plants by sup 19 F and sup 1 H nuclear magnetic resonance imaging and spectroscopy

    SciTech Connect

    Rollins, A.; Barber, J.; Wood, B. ); Elliott, R. )

    1989-12-01

    {sup 19}F and {sup 1}H nuclear magnetic resonance imaging and spectroscopy have been used to monitor the uptake of trifluoroacetic acid in stems and leaves of Lycopersicon esculentum. The movement and location of a xenobiotic have been demonstrated in vivo by a noninvasive technique.

  17. Few-second-long correlation times in a quantum dot nuclear spin bath probed by frequency-comb nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Waeber, A. M.; Hopkinson, M.; Farrer, I.; Ritchie, D. A.; Nilsson, J.; Stevenson, R. M.; Bennett, A. J.; Shields, A. J.; Burkard, G.; Tartakovskii, A. I.; Skolnick, M. S.; Chekhovich, E. A.

    2016-07-01

    One of the key challenges in spectroscopy is the inhomogeneous broadening that masks the homogeneous spectral lineshape and the underlying coherent dynamics. Techniques such as four-wave mixing and spectral hole-burning are used in optical spectroscopy, and spin-echo in nuclear magnetic resonance (NMR). However, the high-power pulses used in spin-echo and other sequences often create spurious dynamics obscuring the subtle spin correlations important for quantum technologies. Here we develop NMR techniques to probe the correlation times of the fluctuations in a nuclear spin bath of individual quantum dots, using frequency-comb excitation, allowing for the homogeneous NMR lineshapes to be measured without high-power pulses. We find nuclear spin correlation times exceeding one second in self-assembled InGaAs quantum dots--four orders of magnitude longer than in strain-free III-V semiconductors. This observed freezing of the nuclear spin fluctuations suggests ways of designing quantum dot spin qubits with a well-understood, highly stable nuclear spin bath.

  18. Accelerator-Driven Subcritical Fission in a Molten Salt Core: Green Nuclear Power for the New Millennium

    NASA Astrophysics Data System (ADS)

    McIntyre, Peter

    2011-10-01

    Scientists at Texas A&M University, Brookhaven National Lab, and Idaho National Lab are developing a design for accelerator-drive subcritical fission in a molten salt core (ADSMS). Three high-power proton beams are delivered to spallation targets in a molten salt core, where they provide ˜3% of the fast neutrons required to sustain 600 MW of fission. The proton beams are produced by a flux-coupled stack of superconducting strong-focusing cyclotrons. The fuel consists of a eutectic of sodium chloride with either spent nuclear fuel from a conventional U power reactor (ADSMS-U) or thorium (ADSMS-Th). The subcritical core cannot go critical under any failure mode. The core cannot melt down even if all power is suddenly lost to the facility for a prolonged period. The ultra-fast neutronics of the core makes it possible to operate in an isobreeding mode, in which neutron capture breeds the fertile nuclide into a fissile nuclide at the same rate that fission burns the fissile nuclide, and consumes 90% of the fertile inventory instead of the 5% consumed in the original use in a conventional power plant. The ultra-fast neutronics produces a very low equilibrium inventory of the long-lived minor actinides, ˜10^4 less than what is produced in conventional power plants. ADSMS offers a method to safely produce the energy needs for all mankind for the next 3000 years.

  19. Multisectional linear ion trap and novel loading method for optical spectroscopy of electron and nuclear transitions.

    PubMed

    Sysoev, Alexey A; Troyan, Victor I; Borisyuk, Peter V; Krasavin, Andrey V; Vasiliev, Oleg S; Palchikov, Vitaly G; Avdeev, Ivan A; Chernyshev, Denis M; Poteshin, Sergey S

    2015-01-01

    There is a growing need for the development of atomic and nuclear frequency standards because of the important contribution of methods for precision time and frequency measurements to the development of fundamental science, technology, and the economy. It is also conditioned by their potential use in optical clocks and quantum logic applications. It is especially important to develop a universal method that could allow one to use ions of most elements effectively (including ones that are not easily evaporated) proposed for the above-mentioned applications. A linear quadrupole ion trap for the optical spectroscopy of electron and nuclear transitions has been developed and evaluated experimentally. An ion source construction is based on an ultra-high vacuum evaporator in which a metal sample is subjected to an electron beam of energy up to 1 keV, resulting in the appearance of gaseous atoms and ions of various charge state. The linear ion trap consists of five successive quadrupole sections including an entrance quadrupole section, quadrupole mass filter, quadrupole ion guide, ion-trap section, and exit quadrupole section. The same radiofrequency but a different direct current voltage feeds the quadrupole sections. The instrument allows the mass and energy selected trapping of ions from ion beams of various intensities and their localization in the area of laser irradiation. The preliminary results presented show that the proposed instrument and methods allow one to produce effectively up to triply charged thorium ions as well as to trap ions for future spectroscopic study. The instrument is proposed for future use in optical clocks and quantum logic application development.

  20. Fluorescence and Diffuse Reflectance Spectroscopy for Breast Cancer Diagnosis During Core Needle Biopsy

    DTIC Science & Technology

    2006-09-01

    for breast biopsy. A first generation probe has been designed for use in a 9-gauge vacuum assisted biopsy needle ( Suros ATEC, Suros Surgical Systems...tissue composition in vivo. 2. Methods 2.1 Probe design A fiber optic probe has been designed for use in a vacuum-assisted core biopsy needle ( Suros ...ATEC, Suros Surgical Systems, IN), which is currently employed for image guided breast biopsy at the University of Wisconsin Health and Clinics

  1. Improvement of Nuclear Heating Evaluation Inside the Core of the OSIRIS Material Testing Reactor

    NASA Astrophysics Data System (ADS)

    Péron, Arthur; Malouch, Fadhel; Diop, Cheikh M.

    2016-02-01

    In this paper we present a nuclear heating from neutron and photon rays calculation scheme mainly based on the Monte-Carlo neutral particle transport code TRIPOLI-4® which takes into account the axial distributions of fuel element compositions. This calculation scheme is applied to the OSIRIS reactor in order to evaluate the effect of using realistic axially heterogeneous compositions instead of uniform ones. After a description of nuclear heating evaluation, the calculation scheme is described. Numerical simulations and related results are detailed and analysed to determine the impact of axially heterogeneous compositions on fluxes, power and nuclear heating.

  2. Characterization of urban aerosol using aerosol mass spectrometry and proton nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Cleveland, M. J.; Ziemba, L. D.; Griffin, R. J.; Dibb, J. E.; Anderson, C. H.; Lefer, B.; Rappenglück, B.

    2012-07-01

    Particulate matter was measured during August and September of 2006 in Houston as part of the Texas Air Quality Study II Radical and Aerosol Measurement Project. Aerosol size and composition were determined using an Aerodyne quadrupole aerosol mass spectrometer. Aerosol was dominated by sulfate (4.1 ± 2.6 μg m-3) and organic material (5.5 ± 4.0 μg m-3), with contributions of organic material from both primary (˜32%) and secondary (˜68%) sources. Secondary organic aerosol appears to be formed locally. In addition, 29 aerosol filter samples were analyzed using proton nuclear magnetic resonance (1H NMR) spectroscopy to determine relative concentrations of organic functional groups. Houston aerosols are less oxidized than those observed elsewhere, with smaller relative contributions of carbon-oxygen double bonds. These particles do not fit 1H NMR source apportionment fingerprints for identification of secondary, marine, and biomass burning organic aerosol, suggesting that a new fingerprint for highly urbanized and industrially influenced locations be established.

  3. Self-association of cromolyn sodium in aqueous solution characterized by nuclear magnetic resonance spectroscopy.

    PubMed

    Ding, Xuan; Stringfellow, Thomas C; Robinson, Joseph R

    2004-05-01

    The major objective of this study was to investigate and characterize the solution properties of cromolyn sodium (in D(2)O or D(2)O/H(2)O phosphate buffer at pH 7.5) using nuclear magnetic resonance (NMR) spectroscopy. The self-association of cromolyn molecules was examined primarily via one-dimensional (1)H and (13)C, and two-dimensional homonuclear NOESY NMR. Significant spectral shifts were observed for a majority of cromolyn (1)H and (13)C resonances, and are attributed to inter-molecular ring-stacking association accompanied by intra-molecular conformational changes. The critical self-association concentration was determined to be 10 mg/mL at pH 7.5 and 25 degrees C by measuring the chemical shift of a specific cromolyn (1)H resonance. The observed magnitude and sign changes of NOESY correlations indicate the formation of cromolyn aggregates with restricted molecular mobility. Mesomorphic liquid crystal formation is suggested by uniformly pronounced line broadening in concentrated cromolyn solutions; the transition concentration was approximately 60 mg/mL at 25 degrees C, which is consistent with literature findings based on other techniques. A stronger tendency toward association was observed at lower temperature but aggregation appeared to be independent of pH. Lastly, it was concluded that self-association of cromolyn is promoted by the presence of monovalent cations as a result of reduced electrostatic repulsive forces.

  4. Energy calibration issues in nuclear resonant vibrational spectroscopy: observing small spectral shifts and making fast calibrations.

    PubMed

    Wang, Hongxin; Yoda, Yoshitaka; Dong, Weibing; Huang, Songping D

    2013-09-01

    The conventional energy calibration for nuclear resonant vibrational spectroscopy (NRVS) is usually long. Meanwhile, taking NRVS samples out of the cryostat increases the chance of sample damage, which makes it impossible to carry out an energy calibration during one NRVS measurement. In this study, by manipulating the 14.4 keV beam through the main measurement chamber without moving out the NRVS sample, two alternative calibration procedures have been proposed and established: (i) an in situ calibration procedure, which measures the main NRVS sample at stage A and the calibration sample at stage B simultaneously, and calibrates the energies for observing extremely small spectral shifts; for example, the 0.3 meV energy shift between the 100%-(57)Fe-enriched [Fe4S4Cl4](=) and 10%-(57)Fe and 90%-(54)Fe labeled [Fe4S4Cl4](=) has been well resolved; (ii) a quick-switching energy calibration procedure, which reduces each calibration time from 3-4 h to about 30 min. Although the quick-switching calibration is not in situ, it is suitable for normal NRVS measurements.

  5. High-resolution monochromator for iron nuclear resonance vibrational spectroscopy of biological samples

    NASA Astrophysics Data System (ADS)

    Yoda, Yoshitaka; Okada, Kyoko; Wang, Hongxin; Cramer, Stephen P.; Seto, Makoto

    2016-12-01

    A new high-resolution monochromator for 14.4-keV X-rays has been designed and developed for the Fe nuclear resonance vibrational spectroscopy of biological samples. In addition to high resolution, higher flux and stability are especially important for measuring biological samples, because of the very weak signals produced due to the low concentrations of Fe-57. A 24% increase in flux while maintaining a high resolution better than 0.9 meV is achieved in the calculation by adopting an asymmetric reflection of Ge, which is used as the first crystal of the three-bounce high-resolution monochromator. A 20% increase of the exit beam size is acceptable to our biological applications. The higher throughput of the new design has been experimentally verified. A fine rotation mechanics that combines a weak-link hinge with a piezoelectric actuator was used for controlling the photon energy of the monochromatic beam. The resulting stability is sufficient to preserve the intrinsic resolution.

  6. Nuclear structure of 37, 38Si investigated by decay spectroscopy of 37, 38Al

    NASA Astrophysics Data System (ADS)

    Steiger, K.; Nishimura, S.; Li, Z.; Gernhäuser, R.; Utsuno, Y.; Chen, R.; Faestermann, T.; Hinke, C.; Krücken, R.; Kurata-Nishimura, M.; Lorusso, G.; Miyashita, Y.; Shimizu, N.; Sugimoto, K.; Sumikama, T.; Watanabe, H.; Yoshinaga, K.

    2015-09-01

    We present a study on the β decays of the neutron-rich isotopes 37Al and 38Al, produced by projectile fragmentation of a 48Ca beam with an energy E = 345 A MeV at the RIKEN Nishina Center. The half-lives of 37Al and 38Al have been measured to 11.5(4)ms and 9.0(7)ms, respectively, using the CAITEN implantation and decay detector setup. The level schemes for 37Si and 38Si were deduced by employing γ- γ coincidence spectroscopy following the event-by-event identification of the implanted nuclei. Comparison to large scale nuclear shell model calculations allowed for a tentative assignment of spin and parity of the populated states. The data indicate that the classical shell gap at magic neutron number N = 28 between the νf 7/2 and νp 3/2 orbits gets reduced by 0.3 MeV in this region leading to low-energy states with intruder configuration in 37Si.

  7. Application of diffusion ordered-1H-nuclear magnetic resonance spectroscopy to quantify sucrose in beverages.

    PubMed

    Cao, Ruge; Nonaka, Airi; Komura, Fusae; Matsui, Toshiro

    2015-03-15

    This work focuses on a quantitative analysis of sucrose using diffusion ordered-quantitative (1)H-nuclear magnetic resonance spectroscopy (DOSY-qNMR), where an analyte can be isolated from interference based on its characteristic diffusion coefficient (D) in gradient magnetic fields. The D value of sucrose in deuterium oxide at 30°C was 4.9 × 10(-10)m(2)/s at field gradient pulse from 5.0 × 10(-2) to 3.0 × 10(-1)T/m, separated from other carbohydrates (glucose and fructose). Good linearity (r(2)=0.9999) was obtained between sucrose (0.5-20.0 g/L) and the resonance area of target glucopyranosyl-α-C1 proton normalised to that of cellobiose C1 proton (100.0 g/L, as an internal standard) in 1D sliced DOSY spectrum. The DOSY-qNMR method was successfully applied to quantify sucrose in orange juice (36.1 ± 0.5 g/L), pineapple juice (53.5 ± 1.1g/L) and a sports drink (24.7 ± 0.6g/L), in good agreement with the results obtained by an F-kit method.

  8. Hyphenation of gas chromatography to microcoil 1H nuclear magnetic resonance spectroscopy.

    PubMed

    Grynbaum, Marc David; Kreidler, Diana; Rehbein, Jens; Purea, Armin; Schuler, Paul; Schaal, Walter; Czesla, Harri; Webb, Andrew; Schurig, Volker; Albert, Klaus

    2007-04-01

    Whereas the hyphenation of gas chromatography (GC) with mass spectrometry is of great importance, little is known about the coupling to nuclear magnetic resonance spectroscopy (NMR). The investigation of this technique is an attractive proposition because of the valuable information given by NMR on molecular structure. The experiments shown here are to our knowledge the first hyphenating capillary GC to microcoil NMR. In contrast to liquids, gases have rarely been investigated by NMR, mainly due to the experimental difficulties in handling gases and the low signal-to-noise-ratio (SNR) of the NMR signal obtained at atmospheric pressure. With advances in NMR sensitivity (higher magnetic fields and solenoidal microprobes), this limitation can be largely overcome. In this paper, we describe the use of a custom-built solenoidal NMR microprobe with an active volume of 2 microL for the NMR detection of several compounds at 400 MHz, first in a mixture, and then with full coupling to capillary GC to identify them separately. The injected amounts of each analyte in the hyphenated experiments are in the range of 15-50 micromol, resulting in reasonable SNR for sample masses of 1-2 microg.

  9. Absolute quantification for benzoic acid in processed foods using quantitative proton nuclear magnetic resonance spectroscopy.

    PubMed

    Ohtsuki, Takashi; Sato, Kyoko; Sugimoto, Naoki; Akiyama, Hiroshi; Kawamura, Yoko

    2012-09-15

    The absolute quantification method of benzoic acid (BA) in processed foods using solvent extraction and quantitative proton nuclear magnetic resonance spectroscopy was developed and validated. BA levels were determined using proton signals (δ(H) 7.53 and 7.98) referenced to 2-dimethyl-2-silapentane-5-sulfonate-d(6) sodium salt (DSS-d(6)) after simple solvent extraction from processed foods. All recoveries from several kinds of processed foods, spiked at their specified maximum Japanese usage levels (0.6-2.5 g kg(-1)) and at 0.13 g kg(-1) and 0.063 g kg(-1), were greater than 80%. The limit of quantification was confirmed as 0.063 g kg(-1) in processed foods, which was sufficiently low for the purposes of monitoring BA. The accuracy of the proposed method is equivalent to the conventional method using steam-distillation extraction and high-performance liquid chromatography. The proposed method was both rapid and simple. Moreover, it provided International System of Units traceability without the need for authentic analyte standards. Therefore, the proposed method is a useful and practical tool for determining BA levels in processed foods.

  10. Metabolomic Profiling of Autoimmune Hepatitis: The Diagnostic Utility of Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Wang, Jia-Bo; Pu, Shi-Biao; Sun, Ying; Li, Zhong-Feng; Niu, Ming; Yan, Xian-Zhong; Zhao, Yan-Ling; Wang, Li-Feng; Qin, Xue-Mei; Ma, Zhi-Jie; Zhang, Ya-Ming; Li, Bao-Sen; Luo, Sheng-Qiang; Gong, Man; Sun, Yong-Qiang; Zou, Zheng-Sheng; Xiao, Xiao-He

    2014-06-30

    Autoimmune hepatitis (AIH) is often confused with other liver diseases because of their shared nonspecific symptoms and serological and histological overlap. This study compared the plasma metabolomic profiles of patients with AIH, primary biliary cirrhosis (PBC), PBC/AIH overlap syndrome (OS), and drug-induced liver injury (DILI) with those of healthy subjects to identify potential biomarkers of AIH. Metabolomic profiling and biomarker screening were performed using proton nuclear magnetic resonance spectroscopy ((1)H NMR) coupled with a partial least-squares discriminant analysis. Compared with the levels in healthy volunteers and other liver disease patients, AIH patients exhibited relatively high levels of plasma pyruvate, lactate, acetate, acetoacetate, and glucose. Such metabolites are typically related to energy metabolism alterations and may be a sign of metabolic conversion to the aerobic glycolysis phenotype of excessive immune activation. Increased aromatic amino acids and decreased branched-chain amino acids were found in the plasma of AIH patients. The whole NMR profiles were stepwise-reduced, and nine metabolomic biomarkers having the greatest significance in the discriminant analysis were obtained. The diagnostic utility of the selected metabolites was assessed, and these biomarkers achieved good sensitivity, specificity, and accuracy (all above 93%) in distinguishing AIH from PBC, DILI, and OS. This report is the first to present the metabolic phenotype of AIH and the potential utility of (1)H NMR metabolomics in the diagnosis of AIH.

  11. Serum Metabolomic Profiling of Sulphur Mustard-Exposed Individuals Using (1)H Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Zamani, Zahra; Ghanei, Mostafa; Panahi, Yunus; Arjmand, Mohammad; Sadeghi, Sedigheh; Mirkhani, Fatemeh; Parvin, Shahram; Salehi, Maryam; Sahebkar, Amirhossein; Vahabi, Farideh

    2016-01-01

    Sulphur mustard is an alkylating agent that reacts with different cellular components, causing acute and delayed complications that may remain for decades after exposure. This study aimed to identify differentially expressed metabolites between mustard-exposed individuals suffering from chronic complications compared with unexposed individuals as the control group. Serum samples were obtained from 15 mustard-exposed individuals and 15 apparently healthy unexposed individuals. Metabolomic profiling was performed using (1)H nuclear magnetic resonance spectroscopy, and analyses were carried out using Chenomex and MATLAB softwares. Metabolites were identified using Human Metabolome Database, and the main metabolic pathways were identified using MetaboAnalyst software. Chemometric analysis of serum samples identified 11 differentially expressed metabolites between mustard-exposed and unexposed groups. The main pathways that were influenced by sulphur mustard exposure were related to vitamin B6 (down-regulation), bile acid (up-regulation) and tryptophan (down-regulation) metabolism. Metabolism of vitamin B6, bile acids and tryptophan are the most severely impaired pathways in individuals suffering from chronic mustard-induced complications. These findings may find implications in the monitoring of exposed patients and identification of new therapeutic approaches.

  12. Characterization of sewage sludge organic matter using solid-state carbon-13 nuclear magnetic resonance spectroscopy.

    PubMed

    Smernik, Ronald J; Oliver, Ian W; Merrington, Graham

    2003-01-01

    Six sewage sludges from five sewage treatment plants in Australia were characterized using solid-state 13C nuclear magnetic resonance (NMR) spectroscopy. Spectra were acquired both before and after removal of mineral components through treatment with hydrofluoric acid (HF). Carbon mass balance indicated that little organic matter was lost on HF treatment, which significantly improved NMR sensitivity and spectral resolution, and decreased acquisition time and hence cost of NMR analysis. Two NMR techniques were used, the standard cross polarization (CP) technique and Bloch decay (BD). The BD technique had not been applied previously to the analysis of sewage sludge. For each sludge sample, both before and after HF treatment, the BD spectrum contained significantly more alkyl carbon. Spin counting, another technique applied to sewage sludge here for the first time, showed that the BD spectra of the HF-treated sludges were quantitative, while approximately 30% of the CP NMR signal went undetected. The discrepancy between CP and BD spectra was attributed to the presence of alkyl carbon with such high molecular mobility that the efficiency of cross polarization is affected. This study shows that sewage sludge organic matter is significantly different in chemistry to soil organic matter and has implications for the application of sewage sludge to agricultural land.

  13. SAS2H input for computing core activities of 4.5, 5.0, and 5.5 weight % {sup 235}U fuel for Sequoyah Nuclear Plant

    SciTech Connect

    Hermann, O.W.

    1994-08-01

    Sequoyah Nuclear Plant core activities at initial fuel enrichments of 4.5, 5.0, and 5.5 wt% {sup 235}U, required in nuclear safety evaluations, were computed by the SAS2H analysis sequence and the ORIGEN-S code within the SCALE-4.2 code system.

  14. High-resolution continuous flow analysis setup for water isotopic measurement from ice cores using laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Emanuelsson, B. D.; Baisden, W. T.; Bertler, N. A. N.; Keller, E. D.; Gkinis, V.

    2014-12-01

    Here we present an experimental setup for water stable isotopes (δ18O and δD) continuous flow measurements. It is the first continuous flow laser spectroscopy system that is using Off-Axis Integrated Cavity Output Spectroscopy (OA-ICOS; analyzer manufactured by Los Gatos Research - LGR) in combination with an evaporation unit to continuously analyze sample from an ice core. A Water Vapor Isotopic Standard Source (WVISS) calibration unit, manufactured by LGR, was modified to: (1) increase the temporal resolution by reducing the response time (2) enable measurements on several water standards, and (3) to reduce the influence from memory effects. While this setup was designed for the Continuous Flow Analysis (CFA) of ice cores, it can also continuously analyze other liquid or vapor sources. The modified setup provides a shorter response time (~54 and 18 s for 2013 and 2014 setup, respectively) compared to the original WVISS unit (~62 s), which is an improvement in measurement resolution. Another improvement compared to the original WVISS is that the modified setup has a reduced memory effect. Stability tests comparing the modified WVISS and WVISS setups were performed and Allan deviations (σAllan) were calculated to determine precision at different averaging times. For the 2013 modified setup the precision after integration times of 103 s are 0.060 and 0.070‰ for δ18O and δD, respectively. For the WVISS setup the corresponding σAllan values are 0.030, 0.060 and 0.043‰ for δ18O, δD and δ17O, respectively. For the WVISS setup the precision is 0.035, 0.070 and 0.042‰ after 103 s for δ18O, δD and δ17O, respectively. Both the modified setups and WVISS setup are influenced by instrumental drift with δ18O being more drift sensitive than δD. The σAllan values for δ18O of 0.30 and 0.18‰ for the modified (2013) and WVISS setup, respectively after averaging times of 104 s (2.78 h). The Isotopic Water Analyzer (IWA)-modified WVISS setup used during the

  15. The scheme for evaluation of isotopic composition of fast reactor core in closed nuclear fuel cycle

    NASA Astrophysics Data System (ADS)

    Saldikov, I. S.; Ternovykh, M. Yu; Fomichenko, P. A.; Gerasimov, A. S.

    2017-01-01

    The PRORYV (i.e. «Breakthrough» in Russian) project is currently under development. Within the framework of this project, fast reactors BN-1200 and BREST-OD-300 should be built to, inter alia, demonstrate possibility of the closed nuclear fuel cycle technologies with plutonium as a main source of power. Russia has a large inventory of plutonium which was accumulated in the result of reprocessing of spent fuel of thermal power reactors and conversion of nuclear weapons. This kind of plutonium will be used for development of initial fuel assemblies for fast reactors. To solve the closed nuclear fuel modeling tasks REPRORYV code was developed. It simulates the mass flow for nuclides in the closed fuel cycle. This paper presents the results of modeling of a closed nuclear fuel cycle, nuclide flows considering the influence of the uncertainty on the outcome of neutron-physical characteristics of the reactor.

  16. Symmetry rules in magnetic core-level photoelectron spectroscopy from epitaxial ferromagnetic ultrathin films

    NASA Astrophysics Data System (ADS)

    Schellenberg, R.; Meinert, H.; Perez, A.; Kisker, E.

    2001-09-01

    For two x-ray incidence directions onto an epitaxial FeNi(001) film, one to the left and a second one to the right side of the symmetry plane spanned by the magnetization direction and the photoelectron wave vector, we have measured distributions of the emission-angle dependence with respect to the crystallographic axes of the Fe 2p3/2 core-level photoelectron intensity asymmetry occurring upon magnetization reversal. The two angular distributions transform into each other when the signs of the magnetization and of the photoelectron emission angle are inverted, in accordance with the conservation of parity.

  17. Nuclear chemistry research and spectroscopy with radioactive sources. Twenty-first annual progress report, February 1, 1985-January 31, 1986

    SciTech Connect

    Fink, R.W.

    1985-08-31

    The nuclear chemistry group in the School of Chemistry continues investigating the radioactive decay of nuclei far from stability under this DOE contract. These nuclei are produced with heavy ions from the Holifield Heavy Ion Research Facility (HHIRF) and studied on-line with the University Isotope Separator at Oak Ridge (UNISOR). Radioactive decay represents a unique method for the population of low-energy, low-spin structures in nuclei, and new phenomena which do not occur near stability can be explored. Our research encompasses three aspects of nuclear structure: (1) nuclear spectroscopy with detailed elelt, e elt, Xelt, etc., multiparameter coincidence spectrometry; (2) on-line laser hyperfine structure (hfs) and isotope shift measurements for the determination of nuclear quadrupole moments, nuclear spins, and changes in mean nuclear charge radii as a means of revealing systematic shape changes in nuclei; and (3) theoretical calculations of predictions of nuclear models for comparison with experimental level structures in nuclei studied at UNISOR. 20 refs., 9 figs., 2 tabs.

  18. Effect of buoyancy on fuel containment in an open-cycle gas-core nuclear rocket engine.

    NASA Technical Reports Server (NTRS)

    Putre, H. A.

    1971-01-01

    Analysis aimed at determining the scaling laws for the buoyancy effect on fuel containment in an open-cycle gas-core nuclear rocket engine, so conducted that experimental conditions can be related to engine conditions. The fuel volume fraction in a short coaxial flow cavity is calculated with a programmed numerical solution of the steady Navier-Stokes equations for isothermal, variable density fluid mixing. A dimensionless parameter B, called the Buoyancy number, was found to correlate the fuel volume fraction for large accelerations and various density ratios. This parameter has the value B = 0 for zero acceleration, and B = 350 for typical engine conditions.

  19. Identification and Quantification of Explosives in Nanolitre Solution Volumes by Raman Spectroscopy in Suspended Core Optical Fibers

    PubMed Central

    Tsiminis, Georgios; Chu, Fenghong; Warren-Smith, Stephen C.; Spooner, Nigel A.; Monro, Tanya M.

    2013-01-01

    A novel approach for identifying explosive species is reported, using Raman spectroscopy in suspended core optical fibers. Numerical simulations are presented that predict the strength of the observed signal as a function of fiber geometry, with the calculated trends verified experimentally and used to optimize the sensors. This technique is used to identify hydrogen peroxide in water solutions at volumes less than 60 nL and to quantify microgram amounts of material using the solvent's Raman signature as an internal calibration standard. The same system, without further modifications, is also used to detect 1,4-dinitrobenzene, a model molecule for nitrobenzene-based explosives such as 2,4,6-trinitrotoluene (TNT). PMID:24084111

  20. Atomic signatures of local environment from core-level spectroscopy in β -Ga2O3

    NASA Astrophysics Data System (ADS)

    Cocchi, Caterina; Zschiesche, Hannes; Nabok, Dmitrii; Mogilatenko, Anna; Albrecht, Martin; Galazka, Zbigniew; Kirmse, Holm; Draxl, Claudia; Koch, Christoph T.

    2016-08-01

    We present a joint theoretical and experimental study on core-level excitations from the oxygen K edge of β -Ga2O3 . A detailed analysis of the electronic structure reveals the importance of O-Ga hybridization effects in the conduction region. The spectrum from O 1 s core electrons is dominated by excitonic effects, which overall redshift the absorption onset by 0.5 eV, and significantly redistribute the intensity to lower energies. Analysis of the spectra obtained within many-body perturbation theory reveals atomic fingerprints of the inequivalent O atoms. From the comparison of energy-loss near-edge fine-structure (ELNES) spectra computed with respect to different crystal planes, with measurements recorded under the corresponding diffraction conditions, we show how the spectral contributions of specific O atoms can be enhanced while quenching others. These results suggest ELNES, combined with ab initio many-body theory, as a very powerful technique to characterize complex systems, with sensitivity to individual atomic species and to their local environment.

  1. Health physics activities in support of the thermal shield removal/disposal and core support barrel repair at the St. Lucie Nuclear Power Plant.

    PubMed

    Maisler, J J; Buchanan, H F

    1988-02-01

    The health physics activities related to the removal and disposal of a thermal shield at a nuclear power plant and subsequent repairs to the core support barrel required increased planning relative to a normal refueling/maintenance outage. The repair of the core support barrel was a "first" in the nuclear power industry. Pre-job planning was of great concern because of extremely high radiation levels associated with the irradiated stainless steel thermal shield and core support barrel. ALARA techniques used in the preparation of the thermal shield for removal and shipment to the disposal site are discussed.

  2. Ce Core-Level Spectroscopy, and Magnetic and Electrical Transport Properties of Lightly Ce-Doped YCoO3

    NASA Astrophysics Data System (ADS)

    Kobayashi, Yoshihiko; Koike, Tsuyoshi; Okawa, Mario; Takayanagi, Ryohei; Takei, Shohei; Minohara, Makoto; Kobayashi, Masaki; Horiba, Koji; Kumigashira, Hiroshi; Yasui, Akira; Ikenaga, Eiji; Saitoh, Tomohiko; Asai, Kichizo

    2016-11-01

    We have investigated the Ce and Co core level spectroscopy, and the magnetic and electrical transport properties of lightly Ce-doped YCoO3. We have successfully synthesized single-phase Y1-xCexCoO3 for 0.0 ≤ x ≤ 0.1 by the sol-gel method. Hard X-ray photoelectron and X-ray absorption spectroscopy experiments reveal that the introduced Ce ions are tetravalent, which is considered to be the first case of electron doping into bulk trivalent Co oxides with perovskite RECoO3 (RE: rare-earth element or Y) caused by RE site substitution. The magnitude of the effective magnetic moment peff obtained from the temperature dependence of magnetic susceptibility χ(T) at higher temperatures is close to that for high-spin Co2+ introduced by the Ce doping, implying that the electrons doped into the Co site induce Co2+ with a high-spin state. For x = 0.1, ferromagnetic ordering is observed below about 7 K. Electrical transport properties such as resistivity and thermoelectric power show that negative electron-like carriers are introduced by Ce substitution.

  3. Analysis of Al and Fe transport coefficients in LHD core plasmas based on space-resolved EUV spectroscopy

    NASA Astrophysics Data System (ADS)

    Huang, Xianli; Morita, Shigeru; Oishi, Tetsutarou; Murakami, Izumi; Goto, Motoshi; Zhang, Hongming; Liu, Yang

    2016-10-01

    With impurity pellet injection and a one-dimensional transport code, the transport of Al and Fe ions has been analyzed in the Large Helical Device (LHD) based on extreme ultraviolet (EUV) space-resolved spectroscopy. The total density of Fe ions in the plasma core has been analyzed from the radial profiles of the Fe n =3-2 Lα emissions. When the ne profile is peaked or hollow, the Fe density also exhibits a peaked or hollow profile, respectively. Fe transport analysis shows that the convective velocity (V) is outward in the plasma core and inward near the edge when the ne profile is hollow. On the other hand, the V takes negative value over the whole radial range in the peaked ne profile. Therefore, the different Fe density profiles between peaked and hollow ne profiles can be explained by the significant difference in the V profile. Comparison of the transport coefficients between Al and Fe shows the magnitude of V for Al ions seems to be smaller than that for Fe ions while the difference in the diffusion coefficient profile is not significant. The difference in the decay time of line emissions between the two speices is attributed to the weaker convection for the Al.

  4. Rolling-circle amplification detection of thrombin using surface-enhanced Raman spectroscopy with core-shell nanoparticle probe.

    PubMed

    Li, Xuemei; Wang, Linlin; Li, Chunxiang

    2015-04-27

    An ultrasensitive surface-enhanced Raman spectroscopy (SERS) sensor based on rolling-circle amplification (RCA)-increased "hot-spot" was developed for the detection of thrombin. The sensor contains a SERS gold nanoparticle@Raman label@SiO2 core-shell nanoparticle probe in which the Raman reporter molecules are sandwiched between a gold nanoparticle core and a thin silica shell by a layer-by-layer method. Thrombin aptamer sequences were immobilized onto the magnetic beads (MBs) through hybridization with their complementary strand. In the presence of thrombin, the aptamer sequence was released; this allowed the remaining single-stranded DNA (ssDNA) to act as primer and initiate in situ RCA reaction to produce long ssDNAs. Then, a large number of SERS probes were attached on the long ssDNA templates, causing thousands of SERS probes to be involved in each biomolecular recognition event. This SERS method achieved the detection of thrombin in the range from 1.0×10(-12) to 1.0×10(-8)  M and a detection limit of 4.2×10(-13)  M, and showed good performance in real serum samples.

  5. Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

    NASA Astrophysics Data System (ADS)

    Kamada, M.; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K.

    2016-04-01

    Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4, m ≥ 3) orbitals. Resonant photoelectron spectra at S-L23 and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

  6. Assessing crop residue phosphorus speciation using chemical fractionation and solution 31P nuclear magnetic resonance spectroscopy.

    PubMed

    Noack, Sarah R; Smernik, Ronald J; McBeath, Therese M; Armstrong, Roger D; McLaughlin, Mike J

    2014-08-01

    At physiological maturity, nutrients in crop residues can be released to the soil where they are incorporated into different labile and non-labile pools while the remainder is retained within the residue itself. The chemical speciation of phosphorus (P) in crop residues is an important determinant of the fate of this P. In this study, we used chemical fractionation and (31)P nuclear magnetic resonance (NMR) spectroscopy, first separately and then together, to evaluate the P speciation of mature oat (Avena sativa) residue. Two water extracts (one employing shaking and the other sonication) and two acid extracts (0.2N perchloric acid and 10% trichloroacetic acid) of these residues contained similar concentrations of orthophosphate (molybdate-reactive P determined by colorimetry) as NaOH-EDTA extracts of whole plant material subsequently analysed by solution (31)P NMR spectroscopy. However, solution (31)P NMR analysis of the extracts and residues isolated during the water/acid extractions indicated that this similarity resulted from a fortuitous coincidence as the orthophosphate concentration in the water/acid extracts was increased by the hydrolysis of pyrophosphate and organic P forms while at the same time there was incomplete extraction of orthophosphate. Confirmation of this was the absence of pyrophosphate in both water and acid fractions (it was detected in the whole plant material) and the finding that speciation of organic P in the fractions differed from that in the whole plant material. Evidence for incomplete extraction of orthophosphate was the finding that most of the residual P in the crop residues following water/acid extractions was detected as orthophosphate using (31)P NMR. Two methods for isolating and quantifying phospholipid P were also tested, based on solubility in ethanol:ether and ethanol:ether:chloroform. While these methods were selective and appeared to extract only phospholipid P, they did not extract all phospholipid P, as some was

  7. Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects.

    PubMed

    Marsalek, Ondrej; Markland, Thomas E

    2017-04-06

    Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable challenges of treating the quantum nature of both the electrons and nuclei. Exploiting our recently developed methods that provide acceleration by up to 2 orders of magnitude, we combine path integral simulations with on-the-fly evaluation of the electronic structure at the hybrid density functional theory level to capture the interplay between nuclear quantum effects and the electronic surface. Here we show that this combination provides accurate structure and dynamics, including the full infrared and Raman spectra of liquid water. This allows us to demonstrate and explain the failings of lower-level density functionals for dynamics and vibrational spectroscopy when the nuclei are treated quantum mechanically. These insights thus provide a foundation for the reliable investigation of spectroscopy and reactivity in aqueous environments.

  8. Electron structure of excited configurations in Ca2V2O7 studied by electron-induced core-ionization loss spectroscopy, appearance-potential spectroscopy, and x-ray-photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Curelaru, I. M.; Strid, K.-G.; Suoninen, E.; Minni, E.; Rönnhult, T.

    1981-04-01

    We have measured the electron-induced core-ionization loss (CILS) spectra, the appearance-potential (APS) spectra, and the x-ray-photoelectron (XPS) spectra of Ca2V2O7, that is a prototype for a series of luminescent materials with general formula M2V2O7(M=Mg, Ca, Sr, Ba, Zn, Cd, Hg). From the analysis of the data provided by the edge spectroscopies (CILS and APS) and their comparison with the XPS binding energies, we deduced the electronic structure of the outer orbitals (occupied and empty) involved in these processes. Our data illustrate the strong many-body effects that occur in the excitation and decay of localized atomiclike configurations within the big ionic cluster V2O4-7. Excitation of core levels in calcium, outside the V2O4-7 ion, seems to involve more extended orbitals, since the screening is more efficient. Usefulness of complementary studies by x-ray emission and Auger electron spectroscopy is anticipated.

  9. High-resolution continuous-flow analysis setup for water isotopic measurement from ice cores using laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Emanuelsson, B. D.; Baisden, W. T.; Bertler, N. A. N.; Keller, E. D.; Gkinis, V.

    2015-07-01

    Here we present an experimental setup for water stable isotope (δ18O and δD) continuous-flow measurements and provide metrics defining the performance of the setup during a major ice core measurement campaign (Roosevelt Island Climate Evolution; RICE). We also use the metrics to compare alternate systems. Our setup is the first continuous-flow laser spectroscopy system that is using off-axis integrated cavity output spectroscopy (OA-ICOS; analyzer manufactured by Los Gatos Research, LGR) in combination with an evaporation unit to continuously analyze water samples from an ice core. A Water Vapor Isotope Standard Source (WVISS) calibration unit, manufactured by LGR, was modified to (1) enable measurements on several water standards, (2) increase the temporal resolution by reducing the response time and (3) reduce the influence from memory effects. While this setup was designed for the continuous-flow analysis (CFA) of ice cores, it can also continuously analyze other liquid or vapor sources. The custom setups provide a shorter response time (~ 54 and 18 s for 2013 and 2014 setup, respectively) compared to the original WVISS unit (~ 62 s), which is an improvement in measurement resolution. Another improvement compared to the original WVISS is that the custom setups have a reduced memory effect. Stability tests comparing the custom and WVISS setups were performed and Allan deviations (σAllan) were calculated to determine precision at different averaging times. For the custom 2013 setup the precision after integration times of 103 s is 0.060 and 0.070 ‰ for δ18O and δD, respectively. The corresponding σAllan values for the custom 2014 setup are 0.030, 0.060 and 0.043 ‰ for δ18O, δD and δ17O, respectively. For the WVISS setup the precision is 0.035, 0.070 and 0.042 ‰ after 103 s for δ18O, δD and δ17O, respectively. Both the custom setups and WVISS setup are influenced by instrumental drift with δ18O being more drift sensitive than δD. The

  10. Minimization of the energy loss of nuclear power plants in case of partial in-core monitoring system failure

    NASA Astrophysics Data System (ADS)

    Zagrebaev, A. M.; Ramazanov, R. N.; Lunegova, E. A.

    2017-01-01

    In this paper we consider the optimization problem minimize of the energy loss of nuclear power plants in case of partial in-core monitoring system failure. It is possible to continuation of reactor operation at reduced power or total replacement of the channel neutron measurements, requiring shutdown of the reactor and the stock of detectors. This article examines the reconstruction of the energy release in the core of a nuclear reactor on the basis of the indications of height sensors. The missing measurement information can be reconstructed by mathematical methods, and replacement of the failed sensors can be avoided. It is suggested that a set of ‘natural’ functions determined by means of statistical estimates obtained from archival data be constructed. The procedure proposed makes it possible to reconstruct the field even with a significant loss of measurement information. Improving the accuracy of the restoration of the neutron flux density in partial loss of measurement information to minimize the stock of necessary components and the associated losses.

  11. Dynamic Nuclear Polarization Enhanced MAS NMR Spectroscopy for Structural Analysis of HIV-1 Protein Assemblies.

    PubMed

    Gupta, Rupal; Lu, Manman; Hou, Guangjin; Caporini, Marc A; Rosay, Melanie; Maas, Werner; Struppe, Jochem; Suiter, Christopher; Ahn, Jinwoo; Byeon, In-Ja L; Franks, W Trent; Orwick-Rydmark, Marcella; Bertarello, Andrea; Oschkinat, Hartmut; Lesage, Anne; Pintacuda, Guido; Gronenborn, Angela M; Polenova, Tatyana

    2016-01-21

    Mature infectious HIV-1 virions contain conical capsids composed of CA protein, generated by the proteolytic cleavage cascade of the Gag polyprotein, termed maturation. The mechanism of capsid core formation through the maturation process remains poorly understood. We present DNP-enhanced MAS NMR studies of tubular assemblies of CA and Gag CA-SP1 maturation intermediate and report 20-64-fold sensitivity enhancements due to DNP at 14.1 T. These sensitivity enhancements enabled direct observation of spacer peptide 1 (SP1) resonances in CA-SP1 by dipolar-based correlation experiments, unequivocally indicating that the SP1 peptide is unstructured in assembled CA-SP1 at cryogenic temperatures, corroborating our earlier results. Furthermore, the dependence of DNP enhancements and spectral resolution on magnetic field strength (9.4-18.8 T) and temperature (109-180 K) was investigated. Our results suggest that DNP-based measurements could potentially provide residue-specific dynamics information by allowing for the extraction of the temperature dependence of the anisotropic tensorial or relaxation parameters. With DNP, we were able to detect multiple well-resolved isoleucine side-chain conformers; unique intermolecular correlations across two CA molecules; and functionally relevant conformationally disordered states such as the 14-residue SP1 peptide, none of which are visible at ambient temperatures. The detection of isolated conformers and intermolecular correlations can provide crucial constraints for structure determination of these assemblies. Overall, our results establish DNP-based MAS NMR spectroscopy as an excellent tool for the characterization of HIV-1 assemblies.

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

    PubMed Central

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

    2013-01-01

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

  13. Application of resonance Raman spectroscopy as a nuclear proliferation detection technology

    SciTech Connect

    Sedlacek, A.J. III; Chen, C.L.; Dougherty, D.R.

    1993-01-01

    Resonance Raman spectroscopy (RRS) potentially possesses many of the characteristics of an ideal verification technology. Some of these ideal traits are: very high selectivity and specificity to allow the deconvolution of a mixture of the chemicals of interest, high sensitivity in order to measure a species at trace levels, high reliability and long-term durability, applicability to a wide range of chemicals capability for sensing in a variety of environmental conditions, independence of the physical state of the chemical capability for quantitative analysis, and finally, but no less important capability for full signal development within seconds. In this presentation, the potential of RRS as a detection/identification technology for chemicals pertinent to nuclear materials production and processing will be assessed. A review of the basic principles behind this technique, both theoretical and experimental, will be discussed along with some recent results obtained in this laboratory. Raman scattering is a coherent, inelastic, two-photon scattering process where an exciting photon of energy hv promotes a molecule to a virtual level and the subsequently emitted photon is shifted in frequency in accordance with the rotational-vibrational structure of the irradiated species, therefore providing a unique fingerprint of the molecule. The enhancement of a Raman signal occurs when the excitation frequency is isoenergetic with an allowed electronic transition. Under resonance conditions, scattering cross-sections have been enhanced up to 6 orders of magnitude, thereby allowing the measurement of resonance Raman spectra from concentrations as dilute as 20 ppb for PAHs (with the potential of pptr). In detection/verification programs, this condition translates to increased sensitivity (ppm/ppb) and increased probing distance (m/km).

  14. Application of resonance Raman spectroscopy as a nuclear proliferation detection technology

    SciTech Connect

    Sedlacek, A.J. III; Chen, C.L.; Dougherty, D.R.

    1993-03-01

    Resonance Raman spectroscopy (RRS) potentially possesses many of the characteristics of an ideal verification technology. Some of these ideal traits are: very high selectivity and specificity to allow the deconvolution of a mixture of the chemicals of interest, high sensitivity in order to measure a species at trace levels, high reliability and long-term durability, applicability to a wide range of chemicals capability for sensing in a variety of environmental conditions, independence of the physical state of the chemical capability for quantitative analysis, and finally, but no less important capability for full signal development within seconds. In this presentation, the potential of RRS as a detection/identification technology for chemicals pertinent to nuclear materials production and processing will be assessed. A review of the basic principles behind this technique, both theoretical and experimental, will be discussed along with some recent results obtained in this laboratory. Raman scattering is a coherent, inelastic, two-photon scattering process where an exciting photon of energy hv promotes a molecule to a virtual level and the subsequently emitted photon is shifted in frequency in accordance with the rotational-vibrational structure of the irradiated species, therefore providing a unique fingerprint of the molecule. The enhancement of a Raman signal occurs when the excitation frequency is isoenergetic with an allowed electronic transition. Under resonance conditions, scattering cross-sections have been enhanced up to 6 orders of magnitude, thereby allowing the measurement of resonance Raman spectra from concentrations as dilute as 20 ppb for PAHs (with the potential of pptr). In detection/verification programs, this condition translates to increased sensitivity (ppm/ppb) and increased probing distance (m/km).

  15. High-Energy Delayed Gamma Spectroscopy for Spent Nuclear Fuel Assay

    SciTech Connect

    Campbell, Luke W.; Smith, Leon E.; Misner, Alex C.; Ressler, Jennifer J.

    2009-10-07

    High-accuracy, direct, nondestructive measurement of fissile and fissionable isotopes in spent fuel, particularly the Pu isotopes, is a well-documented, but still unmet challenge in international safeguards. As nuclear fuel cycles propagate around the globe, the need for improved materials accountancy techniques for irradiated light-water reactor fuel will only increase (e.g. for shipper-receiver verification at interim or permanent storage, or at the head end of a reprocessing plant). This modeling study investigates the use of delayed gamma rays from fission-product nuclei to directly measure the relative concentrations of U-235, Pu-239, and Pu-241 in spent fuel assemblies. The method is based on the unique distribution of fission-product nuclei produced from fission in each of these fissile isotopes. Fission is stimulated in the assembly with a beam of interrogating neutrons and the measured distributions of the short-lived fission products from the unknown sample are then fit with a linear combination of the known fission-product yield curves from pure U-235, Pu-239, and Pu-241 to determine the original proportions of these fissile isotopes. Modeling approaches for the intense gamma-ray background promulgated by the long-lived fission-product inventory, and the high-energy gamma-ray signatures emitted by short-lived fission products from induced fission are described. Results for the simulated assay of simplified individual fuel elements ranging from fresh to 60 GWd/MTU burnup are used to demonstrate the utility of the modeling methods and provide preliminary viability data for the technique. A limited set of benchmarking measurements, and additional work needed to more realistically assess the potential of the High-Energy Delayed Gamma Spectroscopy (HEDGS) technique are described.

  16. High-Energy Delayed Gamma Spectroscopy for Spent Nuclear Fuel Assay

    SciTech Connect

    Campbell, Luke W.; Smith, Leon E.; Misner, Alex C.

    2011-02-01

    High-accuracy, direct, nondestructive measurement of fissile and fissionable isotopes in spent fuel, particularly the Pu isotopes, is a well-documented, but still unmet challenge in international safeguards. As nuclear fuel cycles propagate around the globe, the need for improved materials accountancy techniques for irradiated light-water reactor fuel will increase. This modeling study investigates the use of delayed gamma rays from fission-product nuclei to directly measure the relative concentrations of U-235, Pu-239, and Pu-241 in spent fuel assemblies. The method is based on the unique distribution of fission-product nuclei produced from fission in each of these fissile isotopes. Fission is stimulated in the assembly with a pulse-capable source of interrogating neutrons. The measured distributions of the short-lived fission products from the unknown sample are then fit with a linear combination of the known fission-product yield curves from pure U-235, Pu-239, and Pu-241 to determine the original proportions of these fissile isotopes. Modeling approaches for the intense gamma-ray background promulgated by the long-lived fission-product inventory and for the high-energy gamma-ray signatures emitted by short-lived fission products from induced fission are described. Benchmarking measurements are presented and compare favorably with the results of these models. Results for the simulated assay of simplified individual fuel elements ranging from fresh to 60 GWd/MTU burnup demonstrate the utility of the modeling methods for viability studies, although additional work is needed to more realistically assess the potential of High-Energy Delayed Gamma Spectroscopy (HEDGS).

  17. Comparative Evaluation of a CORE Based Learning Environment for Nuclear Medicine.

    ERIC Educational Resources Information Center

    Hogg, Peter; Boyle, Tom; Lawson, Richard

    1999-01-01

    Reports on a comparative assessment of a multimedia learning environment based on a guided discovery approach called CORE (Concept Object Refinement Expression) with two control conditions, lecture and electronic book, in an undergraduate radiography course. Discusses results of qualitative and quantitative measures of effectiveness, pretests and…

  18. Thermodynamic evaluation of the solidification phase of molten core-concrete under estimated Fukushima Daiichi nuclear power plant accident conditions

    NASA Astrophysics Data System (ADS)

    Kitagaki, Toru; Yano, Kimihiko; Ogino, Hideki; Washiya, Tadahiro

    2017-04-01

    The solidification phases of molten core-concrete under the estimated molten core-concrete interaction (MCCI) conditions in the Fukushima Daiichi Nuclear Power Plant Unit 1 were predicted using the thermodynamic equilibrium calculation tool, FactSage 6.2, and the NUCLEA database in order to contribute toward the 1F decommissioning work and to understand the accident progression via the analytical results for the 1F MCCI products. We showed that most of the U and Zr in the molten core-concrete forms (U,Zr)O2 and (Zr,U)SiO4, and the formation of other phases with these elements is limited. However, the formation of (Zr,U)SiO4 requires a relatively long time because it involves a change in the crystal structure from fcc-(U,Zr)O2 to tet-(U,Zr)O2, followed by the formation of (Zr,U)SiO4 by reaction with SiO2. Therefore, the formation of (Zr,U)SiO4 is limited under quenching conditions. Other common phases are the oxide phases, CaAl2Si2O8, SiO2, and CaSiO3, and the metallic phases of the Fe-Si and Fe-Ni alloys. The solidification phenomenon of the crust under quenching conditions and that of the molten pool under thermodynamic equilibrium conditions in the 1F MCCI progression are discussed.

  19. Fuel containment and stability in the gas core nuclear rocket. Final report, April 15, 1993--April 14, 1994

    SciTech Connect

    Kammash, T.

    1996-02-01

    One of the most promising approaches to advanced propulsion that could meet the objectives of the Space Exploration Initiative (SEI) is the open cycle gas core nuclear rocket (GCR). The energy in this device is generated by a fissioning uranium plasma which heats, through radiation, a propellant that flows around the core and exits through a nozzle, thereby converting thermal energy into thrust. Although such a scheme can produce very attractive propulsion parameters in the form of high specific impulse and high thrust, it does suffer from serious physics and engineering problems that must be addressed if it is to become a viable propulsion system. Among the major problems that must be solved are the confinement of the uranium plasma, potential instabilities and control problems associated with the dynamics of the uranium core, and the question of startup and fueling of such a reactor. In this paper, the authors focus their attention on the problems of equilibria and stability of the uranium care, and examine the potential use of an externally applied magnetic field for these purposes. They find that steady state operation of the reactor is possible only for certain care profiles that may not be compatible with the radiative aspect of the system. The authors also find that the system is susceptible to hydrodynamic and acoustic instabilities that could deplete the uranium fuel in a short time if not properly suppressed.

  20. Lack of nuclear clusters in dwarf spheroidal galaxies: implications for massive black holes formation and the cusp/core problem

    NASA Astrophysics Data System (ADS)

    Arca-Sedda, Manuel; Capuzzo-Dolcetta, Roberto

    2017-01-01

    One of the leading scenarios for the formation of nuclear star clusters in galaxies is related to the orbital decay of globular clusters (GCs) and their subsequent merging, though alternative theories are currently debated. The availability of high-quality data for structural and orbital parameters of GCs allows us to test different nuclear star cluster formation scenarios. The Fornax dwarf spheroidal (dSph) galaxy is the heaviest satellite of the Milky Way and it is the only known dSph hosting five GCs, whereas there are no clear signatures for the presence of a central massive black hole. For this reason, it represents a suited place to study the orbital decay process in dwarf galaxies. In this paper, we model the future evolution of the Fornax GCs simulating them and the host galaxy by means of direct N-body simulations. Our simulations also take into account the gravitational field generated by the Milky Way. We found that if the Fornax galaxy is embedded in a standard cold dark matter halo, the nuclear cluster formation would be significantly hampered by the high central galactic mass density. In this context, we discuss the possibility that infalling GCs drive the flattening of the galactic density profile, giving a possible alternative explanation to the so-called cusp/core problem. Moreover, we briefly discuss the link between GC infall process and the absence of massive black holes in the centre of dSphs.

  1. Distributions of hafnia and titania cores in EUV metal resists evaluated by scanning transmission electron microscopy and electron energy loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Toriumi, Minoru; Sato, Yuta; Koshino, Masanori; Suenaga, Kazu; Itani, Toshiro

    2016-11-01

    The morphologies of hafnia (HfO x ) and titania (TiO x ) cores and their distributions in metal resists for EUV lithography were characterized at the atomic level by scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). The HfO x cores show a higher affinity to organic components, such as methacrylic acid and benzoic acid, than the TiO x cores, and the same core-shell state as in a solution is almost completely maintained in the HfO x resist film. Furthermore, it was found that the surface modification of the TiO x cores by silylation is effective for preventing their aggregation and improves the postcoating delay (PCD) of the resist.

  2. Intermediate coupling for core-level excited states: Consequences for X-Ray absorption spectroscopy

    SciTech Connect

    Bagus, Paul S.; Sassi, Michel J.; Rosso, Kevin M.

    2015-04-01

    The origin of the complex NEXAFS features of X-Ray Absorption, XAS, spectra in transition metal complexes is analyzed and interpreted in terms of the angular momentum coupling of the open shell electrons. Especially for excited configurations where a core-electron is promoted to an open valence shell, the angular momentum coupling is intermediate between the two limits of Russell- Saunders, RS, coupling where spin-orbit splitting of the electron shells is neglected and j-j coupling where this splitting is taken as dominant. The XAS intensities can be understood in terms of two factors: (1) The dipole selection rules that give the allowed excited RS multiplets and (2) The contributions of these allowed multiplets to the wavefunctions of the intermediate coupled levels. It is shown that the origin of the complex XAS spectra is due to the distribution of the RS allowed multiplets over several different intermediate coupled excited levels. The specific case that is analyzed is the L2,3 edge XAS of an Fe3+ cation, because this cation allows a focus on the angular momentum coupling to the exclusion of other effects; e.g., chemical bonding. Arguments are made that the properties identified for this atomic case are relevant for more complex materials. The analysis is based on the properties of fully relativistic, ab initio, many-body wavefunctions for the initial and final states of the XAS process. The wavefunction properties considered include the composition of the wavefunctions in terms of RS multiplets and the occupations of the spin-orbit split open shells; the latter vividly show whether the coupling is j-j or not.

  3. Ellipticals with kinematically distinct cores : HST imaging of the nuclear structure of IC 1459

    NASA Technical Reports Server (NTRS)

    Forbes, Duncan A.; Franx, Marijn; Illingworth, Garth D.

    1994-01-01

    The elliptical galaxy IC 1459 has one of the strongest counter-rotating core components of any observed elliptical. Here we present Hubble Space Telescope (HST) Planetary Camera images of the center of IC 1459. Before deconvolution, our V band images reveal a bright point source at the galaxy nucleus, and dust near the nucleus. After removal of the central point source, deconvolution and model fitting, we show that the central starlight profile is better fit by a 'cusp' model than an isothermal core model. The photometric properties of the stellar light are comparable to those of other ellipticals without counter-rotating core components. There is an indication of a central stellar disk, although its detection is complicated by the extensive dust. Although the velocity field of the emission-line gas is ordered, the dust distribution is very irregular, and indicates nonequilibrium motions. The irregular dust distribution suggests that material is currently infalling and may be fueling the active nucleus. There is no direct evidence which relates the dust and gas to the peculiar stellar kinematics.

  4. Stable, non-destructive immobilization of native nuclear membranes to micro-structured PDMS for single-molecule force spectroscopy.

    PubMed

    Rangl, Martina; Nevo, Reinat; Liashkovich, Ivan; Shahin, Victor; Reich, Ziv; Ebner, Andreas; Hinterdorfer, Peter

    2009-07-13

    In eukaryotic cells the nucleus is separated from the cytoplasm by a double-membraned nuclear envelope (NE). Exchange of molecules between the two compartments is mediated by nuclear pore complexes (NPCs) that are embedded in the NE membranes. The translocation of molecules such as proteins and RNAs through the nuclear membrane is executed by transport shuttling factors (karyopherines). They thereby dock to particular binding sites located all over the NPC, the so-called phenylalanine-glycin nucleoporines (FG Nups). Molecular recognition force spectroscopy (MRFS) allows investigations of the binding at the single-molecule level. Therefore the AFM tip carries a ligand for example, a particular karyopherin whereas the nuclear membrane with its receptors is mounted on a surface. Hence, one of the first requirements to study the nucleocytoplasmatic transport mechanism using MRFS is the development of an optimized membrane preparation that preserves structure and function of the NPCs. In this study we present a stable non-destructive preparation method of Xenopus laevis nuclear envelopes. We use micro-structured polydimethylsiloxane (PDMS) that provides an ideal platform for immobilization and biological integrity due to its elastic, chemical and mechanical properties. It is a solid basis for studying molecular recognition, transport interactions, and translocation processes through the NPC. As a first recognition system we investigate the interaction between an important transport shuttling factor, importin beta, and its binding sites on the NPC, the FG-domains.

  5. Skeletal Muscle Quantitative Nuclear Magnetic Resonance Imaging and Spectroscopy as an Outcome Measure for Clinical Trials

    PubMed Central

    Carlier, Pierre G.; Marty, Benjamin; Scheidegger, Olivier; Loureiro de Sousa, Paulo; Baudin, Pierre-Yves; Snezhko, Eduard; Vlodavets, Dmitry

    2016-01-01

    Recent years have seen tremendous progress towards therapy of many previously incurable neuromuscular diseases. This new context has acted as a driving force for the development of novel non-invasive outcome measures. These can be organized in three main categories: functional tools, fluid biomarkers and imagery. In the latest category, nuclear magnetic resonance imaging (NMRI) offers a considerable range of possibilities for the characterization of skeletal muscle composition, function and metabolism. Nowadays, three NMR outcome measures are frequently integrated in clinical research protocols. They are: 1/ the muscle cross sectional area or volume, 2/ the percentage of intramuscular fat and 3/ the muscle water T2, which quantity muscle trophicity, chronic fatty degenerative changes and oedema (or more broadly, “disease activity”), respectively. A fourth biomarker, the contractile tissue volume is easily derived from the first two ones. The fat fraction maps most often acquired with Dixon sequences have proven their capability to detect small changes in muscle composition and have repeatedly shown superior sensitivity over standard functional evaluation. This outcome measure will more than likely be the first of the series to be validated as an endpoint by regulatory agencies. The versatility of contrast generated by NMR has opened many additional possibilities for characterization of the skeletal muscle and will result in the proposal of more NMR biomarkers. Ultra-short TE (UTE) sequences, late gadolinium enhancement and NMR elastography are being investigated as candidates to evaluate skeletal muscle interstitial fibrosis. Many options exist to measure muscle perfusion and oxygenation by NMR. Diffusion NMR as well as texture analysis algorithms could generate complementary information on muscle organization at microscopic and mesoscopic scales, respectively. 31P NMR spectroscopy is the reference technique to assess muscle energetics non-invasively during and

  6. Lunar in-core thermionic nuclear reactor power system conceptual design

    NASA Technical Reports Server (NTRS)

    Mason, Lee S.; Schmitz, Paul C.; Gallup, Donald R.

    1991-01-01

    This paper presents a conceptual design of a lunar in-core thermionic reactor power system. The concept consists of a thermionic reactor located in a lunar excavation with surface mounted waste heat radiators. The system was integrated with a proposed lunar base concept representative of recent NASA Space Exploration Initiative studies. The reference mission is a permanently-inhabited lunar base requiring a 550 kWe, 7 year life central power station. Performance parameters and assumptions were based on the Thermionic Fuel Element (TFE) Verification Program. Five design cases were analyzed ranging from conservative to advanced. The cases were selected to provide sensitivity effects on the achievement of TFE program goals.

  7. Lunar in-core thermionic nuclear reactor power system conceptual design

    SciTech Connect

    Mason, L.S. ); Schmitz, P.C. ); Gallup, D.R. )

    1991-01-05

    This paper presents a conceptual design of a lunar in-core thermionic reactor power system. The concept consists of a thermionic reactor located in a lunar excavation with surface mounted waste heat radiators. The system was integrated with a proposed lunar base concept representative of recent NASA Space Explortion Initiative studies. The reference mission is a permanently-inhabited lunar base requiring a 550 kWe, 7 year life central power station. Performance parameters and assumptions were based on the Thermionic Fuel Element (TFE) Verification Program. Five design cases were analyzed ranging from conservative to advanced. The cases were selected to provide sensitivity effects on the achievement of TFE program goals.

  8. An intrinsically safe facility for forefront research and training on nuclear technologies — Core design

    NASA Astrophysics Data System (ADS)

    Viberti, C. M.; Ricco, G.

    2014-04-01

    The core of a subcritical, low-power research reactor in a lead matrix has been designed using the MCNPX code. The main parameters, like geometry, material composition in the fuel assembly and reflector size, have been optimized for a k eff ˜ 0.95 and a thermal power around 200 Kw. A 70 Mev, 1 mA proton beam incident on a beryllium target has been assumed as neutron source and the corresponding thermal power distribution and neutron fluxes in the reactor have been simulated.

  9. Characterization of a Continuous Wave Laser for Resonance Ionization Mass Spectroscopy Analysis in Nuclear Forensics

    DTIC Science & Technology

    2015-06-01

    elements of concern. While current systems incorporate pulsed lasers for analysis of debris from nuclear detonation , the possibility exists to consider...nuclear detonation . The current approach to ionize uranium and plutonium uses three Ti-Sapphire pulsed lasers capable of a fundamental wavelength...pulsed lasers for analysis of debris from nuclear detonation , the possibility exists to consider using continuous wave, or CW lasers RIMS has the

  10. Crew radiation dose from the plume of a high impulse gas-core nuclear rocket during a Mars mission.

    NASA Technical Reports Server (NTRS)

    Masser, C. C.

    1971-01-01

    Analytical calculations are performed to determine the radiation dose rate and total dose to the crew of a gas-core nuclear rocket from the fission fragments located throughout the plume volume. The radiation dose from the plume fission fragments to two crew locations of 100 and 200 meters from the nozzle exit are calculated. It is found that, in the case of the most probable fission fragment retention time of 100 seconds, the crew must be protected from the radiation dose. Five centimeters of lead shielding would reduce the radiation dose by two orders of magnitude thereby protecting the crew. The increase in vehicle weight would be insignificant (7150 kg to a vehicle gross weight of 0.94 million kg).

  11. Exploring the nuclear pasta phase in core-collapse supernova matter.

    PubMed

    Pais, Helena; Stone, Jirina R

    2012-10-12

    The core-collapse supernova phenomenon, one of the most explosive events in the Universe, presents a challenge to theoretical astrophysics. Of the large variety of forms of matter present in core-collapse supernova, we focus on the transitional region between homogeneous (uniform) and inhomogeneous (pasta) phases. A three-dimensional, finite temperature Skyrme-Hartree-Fock (3D-SHF)+BCS calculation yields, for the first time fully self-consistently, the critical density and temperature of both the onset of the pasta in inhomogeneous matter, consisting of neutron-rich heavy nuclei and a free neutron and electron gas, and its dissolution to a homogeneous neutron, proton, and electron liquid. We also identify density regions for different pasta formations between the two limits. We employ four different forms of the Skyrme interaction, SkM*, SLy4, NRAPR, and SQMC700 and find subtle variations in the low density and high density transitions into and out of the pasta phase. One new stable pasta shape has been identified, in addition to the classic ones, on the grid of densities and temperatures used in this work. Our results are critically compared to recent calculations of pasta formation in the quantum molecular dynamics approach and Thomas-Fermi and coexisting phase approximations to relativistic mean-field models.

  12. Some Nuclear Calculations of U-235-D2O Gaseous-Core Cavity Reactors

    NASA Technical Reports Server (NTRS)

    Ragsdale, Robert G.; Hyland, Robert E.

    1961-01-01

    The results of a multigroup, diffusion theory study of spherical gaseous-core cavity reactors are presented in this report. The reactor cavity of gaseous U235 is enclosed by a region of hydrogen gas and is separated from an external D2O moderator-reflector by a zirconium structural shell. Some cylindrical reactors are also investigated. A parametric study of spherical reactors indicates that, for the range of variables studied, critical mass increases as: (1) Fuel region is compressed within the reactor cavity, (2) moderator thickness is decreased, (3) structural shell thickness is increased, and (4) moderator temperature is increased. A buckling analogy is used to estimate the critical mass of fully reflected cylindrical reactors from spherical results without fuel compression. For a reactor cavity of a 120-centimeter radius uniformly filled with fuel, no structural shell, a moderator temperature of 70 F, and a moderator thickness of 100 centimeters, the critical mass of a spherical reactor is 3.1 kilograms while that of a cylinder with a length-to-diameter ratio of 1.0 (L/D = 1) is approximately 3.8 kilograms and, with L/D = 2, 5.9 kilograms. For the range of variables considered for U235-D2O gaseous-core cavity reactors, the systems are characterized by 95 to 99 percent thermal absorptions, with the flux reaching a maximum in the moderator about 10 to 15 centimeters from the reactor cavity.

  13. Band bending at the heterointerface of GaAs/InAs core/shell nanowires monitored by synchrotron X-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Khanbabaee, B.; Bussone, G.; Knutsson, J. V.; Geijselaers, I.; Pryor, C. E.; Rieger, T.; Demarina, N.; Grützmacher, D.; Lepsa, M. I.; Timm, R.; Pietsch, U.

    2016-10-01

    Unique electronic properties of semiconductor heterostructured nanowires make them useful for future nano-electronic devices. Here, we present a study of the band bending effect at the heterointerface of GaAs/InAs core/shell nanowires by means of synchrotron based X-ray photoelectron spectroscopy. Different Ga, In, and As core-levels of the nanowire constituents have been monitored prior to and after cleaning from native oxides. The cleaning process mainly affected the As-oxides and was accompanied by an energy shift of the core-level spectra towards lower binding energy, suggesting that the As-oxides turn the nanowire surfaces to n-type. After cleaning, both As and Ga core-levels revealed an energy shift of about -0.3 eV for core/shell compared to core reference nanowires. With respect to depth dependence and in agreement with calculated strain distribution and electron quantum confinement, the observed energy shift is interpreted by band bending of core-levels at the heterointerface between the GaAs nanowire core and the InAs shell.

  14. Insights into the nature of radar attenuation through impure ice from broadband dielectric spectroscopy of polar ice cores

    NASA Astrophysics Data System (ADS)

    Stillman, D.; MacGregor, J. A.; Grimm, R. E.

    2011-12-01

    Water ice is ubiquitous in our solar system and is a key target for planetary radar sounders. A primary unknown in many radar surveys is the energy loss due to conduction (attenuation) within the medium being studied. Electrical conduction through ice is controlled by the mobility, concentration and charge of lattice- and water-soluble impurities. Despite extensive study of the physical and chemical characteristics of lab-frozen and naturally forming ices, several questions have remained as to which impurities can increase conduction and the mechanisms by which this conduction occurs. Here we investigate the role of impurities in electrical conduction using broadband dielectric spectroscopy of terrestrial polar ice cores and report several findings of interest to present and future radar investigations of extraterrestrial ice masses. 1. The dielectric strength of meteoric ice-core samples we studied was often much less than that of pure lab-frozen ice, which suggests that the balance of minority and majority charge carriers in naturally forming ice is much closer to being "crossed-over" than previously realized. 2. Samples with high acid concentrations also have high HF conductivities due to an increase in L-defects caused by chloride, i.e., the ionic defects induced by acid in the lattice partition more chloride into the lattice for charge balance. This behavior explains the larger HF conductivity of acids per unit concentration versus that of chloride and their similar activation energies. 3. The DC conductivity of polar ice is much lower than reported previously from in situ Antarctic field surveys, and is best explained if conduction from acids arises from ionic defects in the ice lattice, rather than through liquid networks. Its conductivity is much less than that of single crystal ice because of the low conductivity of grain boundaries through which charges must migrate. 4. In nearly all the meteoric ice-core samples that we studied, we observed two

  15. Core-level attosecond transient absorption spectroscopy of laser-dressed solid films of Si and Zr

    NASA Astrophysics Data System (ADS)

    Seres, Enikoe; Seres, Jozsef; Serrat, Carles; Namba, Shinichi

    2016-10-01

    We investigated experimentally as well as theoretically the ultrafast response of the wave function of the conduction band (CB) of Si and Zr to a near-infrared laser field using extreme ultraviolet (XUV) absorption spectroscopy in the spectral range of 80-220 eV. The measured dynamics of the XUV transmission demonstrates that the wave function of the CB follows the electric field of the dressing laser pulse. In these terms, laser dressing was earlier mainly studied on gases. Measurements with two-femtosecond and 200-attosecond temporal steps were performed in the vicinity of the Si L2 ,3 edge near 100 eV, the Si L1 edge near 150 eV, and the Zr M4 ,5 edge near 180 eV. The observed changes were dependent on the core states being excited by the XUV probe pulse. At the 2 p to CB transitions of Si, the XUV transmission increased via the effect of the dressing laser pulse, while at the 2 s to CB transition of Si and the 3 d to CB transition of Zr, the XUV transmission decreased. Furthermore, beats between the transition from 2 p1 /2 and 2 p3 /2 levels of Si and from 3 d3 /2 and 3 d5 /2 levels of Zr were observed with 20.7 fs and 3.6 fs periods.

  16. Investigation of hydrogenation of toluene to methylcyclohexane in a trickle bed reactor by low-field nuclear magnetic resonance spectroscopy.

    PubMed

    Guthausen, Gisela; von Garnier, Agnes; Reimert, Rainer

    2009-10-01

    Low-field nuclear magnetic resonance (NMR) spectroscopy is applied to study the hydrogenation of toluene in a lab-scale reactor. A conventional benchtop NMR system was modified to achieve chemical shift resolution. After an off-line validity check of the approach, the reaction product is analyzed on-line during the process, applying chemometric data processing. The conversion of toluene to methylcyclohexane is compared with off-line gas chromatographic analysis. Both classic analytical and chemometric data processing was applied. As the results, which are obtained within a few tens of seconds, are equivalent within the experimental accuracy of both methods, low-field NMR spectroscopy was shown to provide an analytical tool for reaction characterization and immediate feedback.

  17. Thin-layer chromatography-nuclear magnetic resonance spectroscopy - a versatile tool for pharmaceutical and natural products analysisa.

    PubMed

    Gössi, Angelo; Scherer, Uta; Schlotterbeck, Götz

    2012-01-01

    Thin-layer chromatography (TLC) is a mature and very established technique, frequently used in many fields of applications ranging from natural product analysis to chemical or pharmaceutical applications. The introduction of a commercially available TLC-MS interface was a major step complementing the ease of use of TLC with structural elucidation power of mass spectrometry (MS). The TLC-MS interface simplifies the workflow dramatically to gain structural information directly from TLC separations. This article describes the potential of TLC-nuclear magnetic resonance spectroscopy (NMR) utilizing the TLC-MS interface to straightforwardly characterize zones of interest by NMR spectroscopy with a focus on quantification of active pharmaceutical ingredients (API) in formulations and identification of active principles in plant extracts.

  18. Recognition of subsets of the mammalian A/B-type core heterogeneous nuclear ribonucleoprotein polypeptides by novel autoantibodies.

    PubMed Central

    Dangli, A; Plomaritoglou, A; Boutou, E; Vassiliadou, N; Moutsopoulos, H M; Guialis, A

    1996-01-01

    The structurally related A/B-type core heterogeneous nuclear ribonucleoprotein (hnRNP) polypeptides of 34-39 kDa (A1, A2, B1 and B2) belong to a family of RNA-binding proteins that are major components of 40 S hnRNP complexes. By two-dimensional gel electrophoresis and peptide mapping analysis we compared each member of the A/B-type core proteins in the human and rat liver cells. This comparison revealed the unique presence in rat cells of major protein species, referred to as mBx polypeptides, that appeared as three charge isoforms at a position corresponding to the minor HeLa B1b protein spot. In addition, clear differences in the ratios of the A1 polypeptide to the A1b isoform were observed. The detection, in sera of patients with rheumatic autoimmune diseases, of two novel autoantibody specificities, one recognizing solely B2 protein and the second both the B2 and mBx polypeptides, helped to identify mBx proteins as new A/B-type hnRNP components, immunologically related to B2 protein. A common immunoreactive V8 protease peptide of approx. 17 kDa has been identified in B2 and mBx hnRNP polypeptides. mBx protein species are identified in cells of murine origin, and have a ubiquitous tissue distribution and developmental appearance. PMID:9003360

  19. Nuclear Data Resources for Capture gamma-Ray Spectroscopy and Related Topics

    SciTech Connect

    Pritychenko, B.; Pritychenko,B.

    2011-08-18

    Nuclear reaction data play an important role in nuclear reactor, medical, and fundamental science and national security applications. The wealth of information is stored in internally adopted ENDF-6 and EXFOR formats. We present a complete calculation of resonance integrals, Westcott factors, thermal and Maxwellian-averaged cross sections for Z = 1-100 using evaluated nuclear reaction data. The addition of newly-evaluated neutron reaction libraries, and improvements in data processing techniques allows us to calculate nuclear industry and astrophysics parameters, and provide additional insights on all currently available neutron-induced reaction data. Nuclear reaction calculations will be discussed and an overview of the latest reaction data developments will be given.

  20. Interfacial Ca2+ environments in nanocrystalline apatites revealed by dynamic nuclear polarization enhanced 43Ca NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Daniel; Leroy, César; Crevant, Charlène; Bonhomme-Coury, Laure; Babonneau, Florence; Laurencin, Danielle; Bonhomme, Christian; de Paëpe, Gaël

    2017-01-01

    The interfaces within bones, teeth and other hybrid biomaterials are of paramount importance but remain particularly difficult to characterize at the molecular level because both sensitive and selective techniques are mandatory. Here, it is demonstrated that unprecedented insights into calcium environments, for example the differentiation of surface and core species of hydroxyapatite nanoparticles, can be obtained using solid-state NMR, when combined with dynamic nuclear polarization. Although calcium represents an ideal NMR target here (and de facto for a large variety of calcium-derived materials), its stable NMR-active isotope, calcium-43, is a highly unreceptive probe. Using the sensitivity gains from dynamic nuclear polarization, not only could calcium-43 NMR spectra be obtained easily, but natural isotopic abundance 2D correlation experiments could be recorded for calcium-43 in short experimental time. This opens perspectives for the detailed study of interfaces in nanostructured materials of the highest biological interest as well as calcium-based nanosystems in general.

  1. Interfacial Ca(2+) environments in nanocrystalline apatites revealed by dynamic nuclear polarization enhanced (43)Ca NMR spectroscopy.

    PubMed

    Lee, Daniel; Leroy, César; Crevant, Charlène; Bonhomme-Coury, Laure; Babonneau, Florence; Laurencin, Danielle; Bonhomme, Christian; De Paëpe, Gaël

    2017-01-27

    The interfaces within bones, teeth and other hybrid biomaterials are of paramount importance but remain particularly difficult to characterize at the molecular level because both sensitive and selective techniques are mandatory. Here, it is demonstrated that unprecedented insights into calcium environments, for example the differentiation of surface and core species of hydroxyapatite nanoparticles, can be obtained using solid-state NMR, when combined with dynamic nuclear polarization. Although calcium represents an ideal NMR target here (and de facto for a large variety of calcium-derived materials), its stable NMR-active isotope, calcium-43, is a highly unreceptive probe. Using the sensitivity gains from dynamic nuclear polarization, not only could calcium-43 NMR spectra be obtained easily, but natural isotopic abundance 2D correlation experiments could be recorded for calcium-43 in short experimental time. This opens perspectives for the detailed study of interfaces in nanostructured materials of the highest biological interest as well as calcium-based nanosystems in general.

  2. Temperature oscillations near natural nuclear reactor cores and the potential for prebiotic oligomer synthesis.

    PubMed

    Adam, Zachary R

    2016-06-01

    Geologic settings capable of driving prebiotic oligomer synthesis reactions remain a relatively unexplored aspect of origins of life research. Natural nuclear reactors are an example of Precambrian energy sources that produced unique temperature fluctuations. Heat transfer models indicate that water-moderated, convectively-cooled natural fission reactors in porous host rocks create temperature oscillations that resemble those employed in polymerase chain reaction (PCR) devices to artificially amplify oligonucleotides. This temperature profile is characterized by short-duration pulses up to 70-100 °C, followed by a sustained period of temperatures in the range of 30-70 °C, and finally a period of relaxation to ambient temperatures until the cycle is restarted by a fresh influx of pore water. For a given reactor configuration, temperature maxima and the time required to relax to ambient temperatures depend most strongly on the aggregate effect of host rock permeability in decreasing the thermal expansion and increasing the viscosity and evaporation temperature of the pore fluids. Once formed, fission-fueled reactors can sustain multi-kilowatt-level power production for 10(5)-10(6) years, ensuring microenvironmental longevity and chemical output. The model outputs indicate that organic synthesis on young planetary bodies with a sizeable reservoir of fissile material can involve more sophisticated energy dissipation pathways than modern terrestrial analog settings alone would suggest.

  3. Temperature oscillations near natural nuclear reactor cores and the potential for prebiotic oligomer synthesis

    NASA Astrophysics Data System (ADS)

    Adam, Zachary R.

    2016-06-01

    Geologic settings capable of driving prebiotic oligomer synthesis reactions remain a relatively unexplored aspect of origins of life research. Natural nuclear reactors are an example of Precambrian energy sources that produced unique temperature fluctuations. Heat transfer models indicate that water-moderated, convectively-cooled natural fission reactors in porous host rocks create temperature oscillations that resemble those employed in polymerase chain reaction (PCR) devices to artificially amplify oligonucleotides. This temperature profile is characterized by short-duration pulses up to 70-100 °C, followed by a sustained period of temperatures in the range of 30-70 °C, and finally a period of relaxation to ambient temperatures until the cycle is restarted by a fresh influx of pore water. For a given reactor configuration, temperature maxima and the time required to relax to ambient temperatures depend most strongly on the aggregate effect of host rock permeability in decreasing the thermal expansion and increasing the viscosity and evaporation temperature of the pore fluids. Once formed, fission-fueled reactors can sustain multi-kilowatt-level power production for 105-106 years, ensuring microenvironmental longevity and chemical output. The model outputs indicate that organic synthesis on young planetary bodies with a sizeable reservoir of fissile material can involve more sophisticated energy dissipation pathways than modern terrestrial analog settings alone would suggest.

  4. Tryptophan sidechain dynamics in hydrophobic oligopeptides determined by use of 13C nuclear magnetic resonance spectroscopy.

    PubMed

    Weaver, A J; Kemple, M D; Prendergast, F G

    1988-07-01

    Two oligopeptides, t-boc-LAWAL-OMe and t-boc-LALALW-OMe, were synthesized for the purpose of examining the sidechain dynamics of the tryptophan residue in hydrophobic environments by 13C nuclear magnetic resonance and fluorescence spectroscopy. In both peptides, the tryptophan sidechain was greater than 95% enriched with 13C at the C delta 1 position. Spin-lattice relaxation time (T1) and steady-state nuclear Overhauser effect (NOE) data were obtained at 50.3 and 75.4 MHz for both peptides in CD3OD, and at 75.4 MHz for t-boc-LALALW-OMe in lysolecithin-D2O micelles. We have adapted the model-free approach of G. Lipari and A. Szabo (1982, J. Am. Chem. Soc. 104:4546) to interpret the 13C-NMR data. Computer-generated curves based on experimental data obtained at a single frequency demonstrate relationships between an effective correlation time for tryptophan sidechain motion (tau e), a generalized order parameter (sigma) describing the extent of motional restriction, and an overall correlation time for the peptide (tau m). Assuming predominantly dipolar relaxation, least-squares fits of the dual frequency relaxation data provide values for these parameters for both peptides. The contribution of chemical shift anisotropy (CSA), however, is also explicitly assessed in the data analysis, and is shown to perturb the predicted sigma, tau e, and tau m values and to decrease chi(2) values observed in nonlinear least-squares analysis of the data. Because of uncertainty in the contribution of CSA to the relaxation of the indole ring 13C delta 1 atom, nonlinear least-squares analysis of the relaxation data were performed with and without inclusion of a CSA term in the appropriate relaxation equations. Neglecting CSA, an overall peptide correlation time of 0.69 ns is predicted for t-boc-LAWAL-OMe in CD3OD at 20 degrees C compared with 1.28 ns for t-boc-LALALW-OMe. Given these tau m values and taking into account the effect of measurement error in the T1 and NOE data, the internal

  5. United States Department of Energy`s reactor core protection evaluation methodology for fires at RBMK and VVER nuclear power plants. Revision 1

    SciTech Connect

    1997-06-01

    This document provides operators of Soviet-designed RBMK (graphite moderated light water boiling water reactor) and VVER (pressurized light water reactor) nuclear power plants with a systematic Methodology to qualitatively evaluate plant response to fires and to identify remedies to protect the reactor core from fire-initiated damage.

  6. Application of polymer based stationary phases in high performance liquid chromatography and capillary high performance liquid chromatography hyphenated to microcoil 1H nuclear magnetic resonance spectroscopy.

    PubMed

    Grynbaum, Marc David; Meyer, Christoph; Putzbach, Karsten; Rehbein, Jens; Albert, Klaus

    2007-07-13

    The increased demand for chromatographic materials that are able to achieve a fast separation of large quantities of structure analogues is a great challenge. It is known that polymer based chromatographic materials have a higher loadability, compared to silica based sorbents. Unfortunately these polymer materials cannot be used under high pressure which is necessary in order to obtain high flow rates, and hence long times are needed to perform a separation. However, by immobilizing a polymer on a mechanically stable porous silica core, this problem can be circumvented and higher flows become feasible on these materials. Especially for capillary liquid chromatography hyphenated with nuclear magnetic resonance a high loadability is of great importance in order to obtain sharp, resolved, and concentrated peaks thus resulting in a good signal to noise ratio in the NMR experiment. Therefore, a highly shape selective chromatographic sorbent was developed by covalently immobilizing a poly(ethylene-co-acrylic) acid copolymer (-CH(2)CH(2)-)(x)[CH(2)CH(CO(2)H)-](y) (x=119, y=2.4) with a mass fraction of acrylic acid of 5% as stationary phase on silica via a spacer molecule (3-glycidoxypropyltrimethoxysilane). First, the loadability of this sorbent compared to C(30) is demonstrated by the HPLC separation of two xanthophyll isomers. Subsequently, it has been successfully employed in the hyphenation of capillary HPLC with microcoil (1)H NMR spectroscopy by separating and identifying a highly concentrated solution of the tocopherol homologues.

  7. Demonstration of composite signal enhancement from surface enhanced Raman spectroscopy in a liquid core optical ring resonator

    NASA Astrophysics Data System (ADS)

    White, Ian M.; Gohring, John; Fan, Xudong

    2007-09-01

    Surface enhanced Raman spectroscopy (SERS) utilizing silver colloids for localized plasmonic enhancement has been heavily researched due to its tremendous increase in the Raman signal of bio/chemical molecules. We demonstrate further enhancement by multiplying the SERS effect by the resonant enhancement of a ring resonator microcavity. The liquid core optical ring resonator (LCORR) offers a high-performance and practical design to obtain this composite enhancement for bio/chemical molecule detection. The LCORR integrates an array of optical ring resonators into a capillary-based microfluidic channel to form a novel bio/chemical sensing platform. The circular cross-section of the glass capillary acts as an optical ring resonator, with the evanescent field of the resonant light interacting with the sample passing through the capillary. The LCORR has already been well-studied for applications in label free biomolecule sensing. In this work, we utilize a silver colloid solution inside the capillary to perform SERS-based detection. In contrast to a typical SERS system where the incident light interacts with the colloid and target molecules only once, in the LCORR system, the tightly confined light resonates around the capillary wall, repeatedly interacting with the SERS system. Our experimental results show the increased enhancement due to the composite effect of the cavity resonance and the localized plasmonic effect of the nanoparticles inside the cavity. We have achieved detection of 3.3 nM R6G inside the LCORR. In addition to the excellent sensitivity, this detection system represents an advancement in the development of practical SERS bio/chemical sensors due to the arrayed nature of the sensors combined with the integrated microfluidics of the LCORR.

  8. Development of a krypton-doped gas symmetry capsule platform for x-ray spectroscopy of implosion cores on the NIF

    NASA Astrophysics Data System (ADS)

    Ma, T.; Chen, H.; Patel, P. K.; Schneider, M. B.; Barrios, M. A.; Casey, D. T.; Chung, H.-K.; Hammel, B. A.; Berzak Hopkins, L. F.; Jarrott, L. C.; Khan, S. F.; Lahmann, B.; Nora, R.; Rosenberg, M. J.; Pak, A.; Regan, S. P.; Scott, H. A.; Sio, H.; Spears, B. K.; Weber, C. R.

    2016-11-01

    The electron temperature at stagnation of an ICF implosion can be measured from the emission spectrum of high-energy x-rays that pass through the cold material surrounding the hot stagnating core. Here we describe a platform developed on the National Ignition Facility where trace levels of a mid-Z dopant (krypton) are added to the fuel gas of a symcap (symmetry surrogate) implosion to allow for the use of x-ray spectroscopy of the krypton line emission.

  9. Development of a krypton-doped gas symmetry capsule platform for x-ray spectroscopy of implosion cores on the NIF.

    PubMed

    Ma, T; Chen, H; Patel, P K; Schneider, M B; Barrios, M A; Casey, D T; Chung, H-K; Hammel, B A; Berzak Hopkins, L F; Jarrott, L C; Khan, S F; Lahmann, B; Nora, R; Rosenberg, M J; Pak, A; Regan, S P; Scott, H A; Sio, H; Spears, B K; Weber, C R

    2016-11-01

    The electron temperature at stagnation of an ICF implosion can be measured from the emission spectrum of high-energy x-rays that pass through the cold material surrounding the hot stagnating core. Here we describe a platform developed on the National Ignition Facility where trace levels of a mid-Z dopant (krypton) are added to the fuel gas of a symcap (symmetry surrogate) implosion to allow for the use of x-ray spectroscopy of the krypton line emission.

  10. Neutron irradiation damage of nuclear graphite studied by high-resolution transmission electron microscopy and Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Krishna, R.; Jones, A. N.; McDermott, L.; Marsden, B. J.

    2015-12-01

    Nuclear graphite components are produced from polycrystalline artificial graphite manufacture from a binder and filler coke with approximately 20% porosity. During the operational lifetime, nuclear graphite moderator components are subjected to fast neutron irradiation which contributes to the change of material and physical properties such as thermal expansion co-efficient, young's modulus and dimensional change. These changes are directly driven by irradiation-induced changes to the crystal structure as reflected through the bulk microstructure. It is therefore of critical importance that these irradiation changes and there implication on component property changes are fully understood. This work examines a range of irradiated graphite samples removed from the British Experimental Pile Zero (BEPO) reactor; a low temperature, low fluence, air-cooled Materials Test Reactor which operated in the UK. Raman spectroscopy and high-resolution transmission electron microscopy (HRTEM) have been employed to characterise the effect of increased irradiation fluence on graphite microstructure and understand low temperature irradiation damage processes. HRTEM confirms the structural damage of the crystal lattice caused by irradiation attributed to a high number of defects generation with the accumulation of dislocation interactions at nano-scale range. Irradiation-induced crystal defects, lattice parameters and crystallite size compared to virgin nuclear graphite are characterised using selected area diffraction (SAD) patterns in TEM and Raman Spectroscopy. The consolidated 'D'peak in the Raman spectra confirms the formation of in-plane point defects and reflected as disordered regions in the lattice. The reduced intensity and broadened peaks of 'G' and 'D' in the Raman and HRTEM results confirm the appearance of turbulence and disordering of the basal planes whilst maintaining their coherent layered graphite structure.

  11. Exploring weak, transient protein--protein interactions in crowded in vivo environments by in-cell nuclear magnetic resonance spectroscopy.

    PubMed

    Wang, Qinghua; Zhuravleva, Anastasia; Gierasch, Lila M

    2011-11-01

    Biology relies on functional interplay of proteins in the crowded and heterogeneous environment inside cells, and functional protein interactions are often weak and transient. Thus, methods that preserve these interactions and provide information about them are needed. In-cell nuclear magnetic resonance (NMR) spectroscopy is an attractive method for studying a protein's behavior in cells because it may provide residue-level structural and dynamic information, yet several factors limit the feasibility of protein NMR spectroscopy in cells; among them, slow rotational diffusion has emerged as the most important. In this paper, we seek to elucidate the causes of the dramatically slow protein tumbling in cells and in so doing to gain insight into how the intracellular viscosity and weak, transient interactions modulate protein mobility. To address these questions, we characterized the rotational diffusion of three model globular proteins in Escherichia coli cells using two-dimensional heteronuclear NMR spectroscopy. These proteins have a similar molecular size and globular fold but very different surface properties, and indeed, they show very different rotational diffusion in the E. coli intracellular environment. Our data are consistent with an intracellular viscosity approximately 8 times that of water, too low to be a limiting factor for observation of small globular proteins by in-cell NMR spectroscopy. Thus, we conclude that transient interactions with cytoplasmic components significantly and differentially affect the mobility of proteins and therefore their NMR detectability. Moreover, we suggest that an intricate interplay of total protein charge and hydrophobic interactions plays a key role in regulating these weak intermolecular interactions in cells.

  12. Sealed magic angle spinning nuclear magnetic resonance probe and process for spectroscopy of hazardous samples

    SciTech Connect

    Cho, Herman M.; Washton, Nancy M.; Mueller, Karl T.; Sears, Jr., Jesse A.; Townsend, Mark R.; Ewing, James R.

    2016-06-14

    A magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) probe is described that includes double containment enclosures configured to seal and contain hazardous samples for analysis. The probe is of a modular design that ensures containment of hazardous samples during sample analysis while preserving spin speeds for superior NMR performance and convenience of operation.

  13. Developmental regulation of an snRNP core protein epitope during pig embryogenesis and after nuclear transfer for cloning.

    PubMed

    Prather, R S; Rickords, L F

    1992-10-01

    The appearance and stabilization of a core protein epitope of the snRNP is developmentally regulated during pig embryogenesis. The epitope recognized by the monoclonal antibody Y12 is present in the germinal vesicle of mature oocytes and interphase nuclei of late 4-cell stage (24 to 30 hours post cleavage to the 4-cell stage) to blastocyst stage embryos. There was no antibody localization within pronuclei, or nuclei of 2-cell or early 4-cell stage embryos. Zygotes or 2-cell stage embryos cultured in the presence of alpha-amanitin to the late 4-cell stage showed no immunoreactivity, whereas control embryos had immunoreactivity. Thus antibody localization was correlated with RNA synthesis and RNA processing that begins by 24 hours post cleavage to the 4-cell stage. A final experiment showed no detectable immunoreactivity in 16-cell stage nuclei that had been transferred to enucleated activated meiotic metaphase II oocytes. Since immunoreactivity is associated with active RNA synthesis and RNA processing, it suggests that the 16-cell stage nucleus, which is RNA synthetically active, does not process RNA after nuclear transfer to an enucleated activated meiotic metaphase II oocyte.

  14. 10 CFR 50.46 - Acceptance criteria for emergency core cooling systems for light-water nuclear power reactors.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... light-water nuclear power reactors. 50.46 Section 50.46 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC... reactors. (a)(1)(i) Each boiling or pressurized light-water nuclear power reactor fueled with uranium oxide... evaluation model. This section does not apply to a nuclear power reactor facility for which...

  15. 10 CFR 50.46 - Acceptance criteria for emergency core cooling systems for light-water nuclear power reactors.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... light-water nuclear power reactors. 50.46 Section 50.46 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC... reactors. (a)(1)(i) Each boiling or pressurized light-water nuclear power reactor fueled with uranium oxide... evaluation model. This section does not apply to a nuclear power reactor facility for which...

  16. 10 CFR 50.46 - Acceptance criteria for emergency core cooling systems for light-water nuclear power reactors.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... light-water nuclear power reactors. 50.46 Section 50.46 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC... reactors. (a)(1)(i) Each boiling or pressurized light-water nuclear power reactor fueled with uranium oxide... evaluation model. This section does not apply to a nuclear power reactor facility for which...

  17. 10 CFR 50.46 - Acceptance criteria for emergency core cooling systems for light-water nuclear power reactors.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... light-water nuclear power reactors. 50.46 Section 50.46 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC... reactors. (a)(1)(i) Each boiling or pressurized light-water nuclear power reactor fueled with uranium oxide... evaluation model. This section does not apply to a nuclear power reactor facility for which...

  18. 10 CFR 50.46 - Acceptance criteria for emergency core cooling systems for light-water nuclear power reactors.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... light-water nuclear power reactors. 50.46 Section 50.46 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC... reactors. (a)(1)(i) Each boiling or pressurized light-water nuclear power reactor fueled with uranium oxide... evaluation model. This section does not apply to a nuclear power reactor facility for which...

  19. Application of nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, UV-Visible spectroscopy and kinetic modeling for elucidation of adsorption chemistry in uptake of tetracycline by zeolite beta.

    PubMed

    Kang, Jin; Liu, Huijuan; Zheng, Yu-Ming; Qu, Jiuhui; Chen, J Paul

    2011-02-01

    Extensive usage of tetracycline has resulted in its contamination in surface water and groundwater. The adsorption of tetracycline on zeolite beta was systematically investigated for the decontamination of the antibiotic polluted water in this study. Ninety percent of uptake by the zeolite beta occured in 0.25h, and the adsorption equilibrium was obtained within 3h, which was well described by an intraparticle diffusion model. The adsorption generally increased when pH was increased from 4.0 to 5.0, and then decreased significantly as the pH was further increased, which was caused by the pH-dependent speciation of tetracycline and surface charge of zeolite beta. Both Freundlich and Langmuir equations well described the adsorption isotherm. A thermodynamic analysis showed that the sorption process was spontaneous and endothermic. Aluminum atoms in the zeolite played a crucial role in the uptake; the adsorption increased with the increasing aluminum content in zeolite. The UV-Visible spectroscopy study showed that the spectra of tetracycline changed upon the interaction with zeolite beta, which could be ascribed to the formation of complexes of tetracycline and aluminum atoms in the zeolite surface. Nuclear magnetic resonance spectroscopy study further confirmed the participation of Al in the tetracycline adsorption. Fourier transform infrared spectroscopy studies showed that the amino functional groups in tetracycline were involved in the complexation with the zeolite surface.

  20. Optical spectroscopy using mass-separated beams: Nuclear properties of unstable indium and tin isotopes

    NASA Astrophysics Data System (ADS)

    Kuehl, T.; Kirchner, R.; Klepper, O.; Marx, D.; Dinger, U.; Eberz, J.; Huber, G.; Lochmann, H.; Menges, R.; Ulm, G.

    1987-05-01

    Collinear fast-beam laser-spectroscopy has been used to measure the hyperfine structure and isotope shift of several indium and tin isotopes. The related experimental techniques are described, including the preparation of mass-separated beams of neutron-deficient indium and tin isotopes at the GSI on-line mass separator following fusion-evaporation reactions. The deviation of the observed dependence of the charge radii upon the neutron number from the expected behaviour is briefly discussed.

  1. Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy.

    PubMed

    Kaminker, Ilia; Wilson, Tiffany D; Savelieff, Masha G; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

    2014-03-01

    ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between (14)N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the (14)N mI=0 and mI=-1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S=1/2, I=1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due to

  2. Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Kaminker, Ilia; Wilson, Tiffany D.; Savelieff, Masha G.; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

    2014-03-01

    ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between 14N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the 14N mI = 0 and mI = -1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S = 1/2, I = 1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due

  3. Application of nuclear magnetic resonance spectroscopy for identification of ciprofloxacin crystalluria.

    PubMed

    Morell-Garcia, Daniel; Barceló, Bernardino; Rodriguez, Adrian; Liñeiro, Victor; Robles, Rosa; Vidal-Puigserver, Joan; Costa-Bauzá, Antonia; Grases, Felix

    2015-01-01

    This is a report describing a previously healthy young patient, who experienced crystalluria and non-cholestatic acute liver injury after a single intravenous dose of 400mg. The nuclear magnetic resonance spectra confirmed that the urinary sediment in our patient was formed by pure ciprofloxacin. The nuclear magnetic resonance spectra ((1)H NMR) of the urine sediment are a good test to confirm the composition of the crystals observed by electron microscopy and infrared spectrum. The findings indicate the importance of adequate hydration, urinalysis, measurement of pH and liver enzyme levels, prior to treatment with ciprofloxacin. Our findings also indicate that ciprofloxacin should not be administered to patients with renal tubular acidosis, due to their high urinary pH.

  4. Self-healing capacity of nuclear glass observed by NMR spectroscopy.

    PubMed

    Charpentier, Thibault; Martel, Laura; Mir, Anamul H; Somers, Joseph; Jégou, Christophe; Peuget, Sylvain

    2016-05-05

    Safe management of high level nuclear waste is a worldwide significant issue for which vitrification has been selected by many countries. There exists a crucial need for improving our understanding of the ageing of the glass under irradiation. While external irradiation by ions provides a rapid simulation of damage induced by alpha decays, short lived actinide doping is more representative of the reality. Here, we report radiological NMR experiments to compare the damage in International Simplified Glass (ISG) when irradiated by these two methods. In the 0.1 mole percent (244)Cm doped glass, accumulation of high alpha decay only shows small modifications of the local structure, in sharp contrast to heavy ion irradiation. These results reveal the ability of the alpha particle to partially repair the damage generated by the heavy recoil nuclei highlighting the radiation resistance of nuclear glass and the difficulty to accurately simulate its behaviour by single ion beam irradiations.

  5. Self-healing capacity of nuclear glass observed by NMR spectroscopy

    PubMed Central

    Charpentier, Thibault; Martel, Laura; Mir, Anamul H.; Somers, Joseph; Jégou, Christophe; Peuget, Sylvain

    2016-01-01

    Safe management of high level nuclear waste is a worldwide significant issue for which vitrification has been selected by many countries. There exists a crucial need for improving our understanding of the ageing of the glass under irradiation. While external irradiation by ions provides a rapid simulation of damage induced by alpha decays, short lived actinide doping is more representative of the reality. Here, we report radiological NMR experiments to compare the damage in International Simplified Glass (ISG) when irradiated by these two methods. In the 0.1 mole percent 244Cm doped glass, accumulation of high alpha decay only shows small modifications of the local structure, in sharp contrast to heavy ion irradiation. These results reveal the ability of the alpha particle to partially repair the damage generated by the heavy recoil nuclei highlighting the radiation resistance of nuclear glass and the difficulty to accurately simulate its behaviour by single ion beam irradiations. PMID:27149700

  6. Nuclear structure and shapes from prompt gamma ray spectroscopy of fission products

    SciTech Connect

    Ahmad, I.; Morss, L.R.; Durell, J.L.

    1996-10-01

    Many nuclear shape phenomena are predicted to occur in neutron-rich nuclei. The best source for the production of these nuclides is the spontaneous fission which produces practically hundreds of nuclides with yields of greater than 0.1 % per decay. Measurements of coincident gamma rays with large Ge arrays have recently been made to obtain information on nuclear structures and shapes of these neutron- rich nuclei. Among the important results that have been obtained from such measurements are octupole correlations in Ba isotopes, triaxial shapes in Ru nuclei, two-phonon vibrations in {sup 106}Mo and level lifetimes and quadrupole moments in Nd isotopes and A=100 nuclei. These data have been used to test theoretical models.

  7. Self-healing capacity of nuclear glass observed by NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Charpentier, Thibault; Martel, Laura; Mir, Anamul H.; Somers, Joseph; Jégou, Christophe; Peuget, Sylvain

    2016-05-01

    Safe management of high level nuclear waste is a worldwide significant issue for which vitrification has been selected by many countries. There exists a crucial need for improving our understanding of the ageing of the glass under irradiation. While external irradiation by ions provides a rapid simulation of damage induced by alpha decays, short lived actinide doping is more representative of the reality. Here, we report radiological NMR experiments to compare the damage in International Simplified Glass (ISG) when irradiated by these two methods. In the 0.1 mole percent 244Cm doped glass, accumulation of high alpha decay only shows small modifications of the local structure, in sharp contrast to heavy ion irradiation. These results reveal the ability of the alpha particle to partially repair the damage generated by the heavy recoil nuclei highlighting the radiation resistance of nuclear glass and the difficulty to accurately simulate its behaviour by single ion beam irradiations.

  8. Generation of thorium ions by laser ablation and inductively coupled plasma techniques for optical nuclear spectroscopy

    NASA Astrophysics Data System (ADS)

    Troyan, V. I.; Borisyuk, P. V.; Khalitov, R. R.; Krasavin, A. V.; Lebedinskii, Yu Yu; Palchikov, V. G.; Poteshin, S. S.; Sysoev, A. A.; Yakovlev, V. P.

    2013-10-01

    Single- and double-charged 232Th and 229Th ions were produced by laser ablation of solid-state thorium compounds and by inductively coupled plasma techniques with mass-spectrometry analysis from liquid solutions of thorium. The latter method was found to be more applicable for producing ions of radioactive 229Th for laser experiments when searching for the energy value of the isomeric nuclear transition.

  9. Oxygen-17 dynamic nuclear polarisation enhanced solid-state NMR spectroscopy at 18.8 T.

    PubMed

    Brownbill, Nick J; Gajan, David; Lesage, Anne; Emsley, Lyndon; Blanc, Frédéric

    2017-02-23

    We report (17)O dynamic nuclear polarisation (DNP) enhanced solid-state NMR experiments at 18.8 T. Several formulations were investigated on the Mg(OH)2 compound. A signal enhancement factor of 17 could be obtained when the solid particles were incorporated into a glassy o-terphenyl matrix doped with BDPA using the Overhauser polarisation transfer scheme whilst the cross effect mechanism enabled by TEKPol yielded a slightly lower enhancement but more time efficient data acquisition.

  10. Synthesis of magnetic Fe2O3/Au core/shell nanoparticles for bioseparation and immunoassay based on surface-enhanced Raman spectroscopy.

    PubMed

    Bao, Fang; Yao, Jian-Lin; Gu, Ren-Ao

    2009-09-15

    Magnetic Fe2O3/Au core/shell nanoparticles can be particularly used in biological separation, but the development of an appropriate technique including a production process for higher efficient separation and the subsequent immunoassay for lower level still represent a great challenge. In this article, Fe2O3/Au core/shell nanoparticles with different Au ratios were prepared by reducing HAuCl4 on the surface of gamma-Fe2O3 nanoparticles. Scanning electron microscopy (SEM) images and surface-enhanced Raman spectroscopy (SERS) spectra clearly show that the surfaces of Fe2O3 nanoparticles were covered by Au. SERS signals of pyridine (Py) have been obtained on the Fe2O3/Au nanoparticles, and it has been found that the SERS intensity enhanced with the increase of iterative additions of HAuCl4. The antigens in test solution have been effectively separated by the magnetic Fe2O3/Au core/shell nanoparticles, and subsequent rapid detection was examined by immunoassay analysis based on SERS. The result demonstrates that the magnetic bioseparation program used by this magnetic Fe2O3/Au core/shell nanoparticles could separate almost all of the antigens in test solution. The ease of operation and good separation efficiency of this effective method has shown a potential application for magnetic Fe2O3/Au core/shell nanoparticles in bioseparation.

  11. Molecular interactions between green tea catechins and cheese fat studied by solid-state nuclear magnetic resonance spectroscopy.

    PubMed

    Rashidinejad, Ali; Birch, Edward J; Hindmarsh, Jason; Everett, David W

    2017-01-15

    Molecular integrations between green tea catechins and milk fat globules in a cheese matrix were investigated using solid-state magic angle spinning nuclear magnetic resonance spectroscopy. Full-fat cheeses were manufactured containing free catechin or free green tea extract (GTE), and liposomal encapsulated catechin or liposomal encapsulated GTE. Molecular mobility of the carbon species in the cheeses was measured by a wide-line separation technique. The (1)H evolution frequency profile of the (13)C peak at 16ppm obtained for the control cheese and cheeses containing encapsulated polyphenols (catechin or GTE) were similar, however, the spectrum was narrower for cheeses containing free polyphenols. Differences in spectral width indicates changes in the molecular mobility of --CH3- or -C-C-PO4- species through hydrophobic and/or cation-π associations between green tea catechins and cheese fat components. However, the similar spectral profile suggests that encapsulation protects cheese fat from interaction with catechins.

  12. Real sample temperature: a critical issue in the experiments of nuclear resonant vibrational spectroscopy on biological samples.

    PubMed

    Wang, Hongxin; Yoda, Yoshitaka; Kamali, Saeed; Zhou, Zhao Hui; Cramer, Stephen P

    2012-03-01

    There are several practical and intertangled issues which make the experiments of nuclear resonant vibrational spectroscopy (NRVS) on biological samples difficult to perform. The sample temperature is one of the most important issues. In NRVS the real sample temperatures can be very different from the readings on the temperature sensors. In this study the following have been performed: (i) citing and analyzing various existing NRVS data to assess the real sample temperatures during the NRVS measurements and to understand their trends with the samples' loading conditions; (ii) designing several NRVS measurements with (Et(4)N)[FeCl(4)] to verify these trends; and (iii) proposing a new sample-loading procedure to achieve significantly lower real sample temperatures and to balance among the intertangled experimental issues in biological NRVS measurements.

  13. Establishment of Imaging Spectroscopy of Nuclear Gamma-Rays based on Geometrical Optics.

    PubMed

    Tanimori, Toru; Mizumura, Yoshitaka; Takada, Atsushi; Miyamoto, Shohei; Takemura, Taito; Kishimoto, Tetsuro; Komura, Shotaro; Kubo, Hidetoshi; Kurosawa, Shunsuke; Matsuoka, Yoshihiro; Miuchi, Kentaro; Mizumoto, Tetsuya; Nakamasu, Yuma; Nakamura, Kiseki; Parker, Joseph D; Sawano, Tatsuya; Sonoda, Shinya; Tomono, Dai; Yoshikawa, Kei

    2017-02-03

    Since the discovery of nuclear gamma-rays, its imaging has been limited to pseudo imaging, such as Compton Camera (CC) and coded mask. Pseudo imaging does not keep physical information (intensity, or brightness in Optics) along a ray, and thus is capable of no more than qualitative imaging of bright objects. To attain quantitative imaging, cameras that realize geometrical optics is essential, which would be, for nuclear MeV gammas, only possible via complete reconstruction of the Compton process. Recently we have revealed that "Electron Tracking Compton Camera" (ETCC) provides a well-defined Point Spread Function (PSF). The information of an incoming gamma is kept along a ray with the PSF and that is equivalent to geometrical optics. Here we present an imaging-spectroscopic measurement with the ETCC. Our results highlight the intrinsic difficulty with CCs in performing accurate imaging, and show that the ETCC surmounts this problem. The imaging capability also helps the ETCC suppress the noise level dramatically by ~3 orders of magnitude without a shielding structure. Furthermore, full reconstruction of Compton process with the ETCC provides spectra free of Compton edges. These results mark the first proper imaging of nuclear gammas based on the genuine geometrical optics.

  14. Establishment of Imaging Spectroscopy of Nuclear Gamma-Rays based on Geometrical Optics

    NASA Astrophysics Data System (ADS)

    Tanimori, Toru; Mizumura, Yoshitaka; Takada, Atsushi; Miyamoto, Shohei; Takemura, Taito; Kishimoto, Tetsuro; Komura, Shotaro; Kubo, Hidetoshi; Kurosawa, Shunsuke; Matsuoka, Yoshihiro; Miuchi, Kentaro; Mizumoto, Tetsuya; Nakamasu, Yuma; Nakamura, Kiseki; Parker, Joseph D.; Sawano, Tatsuya; Sonoda, Shinya; Tomono, Dai; Yoshikawa, Kei

    2017-02-01

    Since the discovery of nuclear gamma-rays, its imaging has been limited to pseudo imaging, such as Compton Camera (CC) and coded mask. Pseudo imaging does not keep physical information (intensity, or brightness in Optics) along a ray, and thus is capable of no more than qualitative imaging of bright objects. To attain quantitative imaging, cameras that realize geometrical optics is essential, which would be, for nuclear MeV gammas, only possible via complete reconstruction of the Compton process. Recently we have revealed that “Electron Tracking Compton Camera” (ETCC) provides a well-defined Point Spread Function (PSF). The information of an incoming gamma is kept along a ray with the PSF and that is equivalent to geometrical optics. Here we present an imaging-spectroscopic measurement with the ETCC. Our results highlight the intrinsic difficulty with CCs in performing accurate imaging, and show that the ETCC surmounts this problem. The imaging capability also helps the ETCC suppress the noise level dramatically by ~3 orders of magnitude without a shielding structure. Furthermore, full reconstruction of Compton process with the ETCC provides spectra free of Compton edges. These results mark the first proper imaging of nuclear gammas based on the genuine geometrical optics.

  15. Establishment of Imaging Spectroscopy of Nuclear Gamma-Rays based on Geometrical Optics

    PubMed Central

    Tanimori, Toru; Mizumura, Yoshitaka; Takada, Atsushi; Miyamoto, Shohei; Takemura, Taito; Kishimoto, Tetsuro; Komura, Shotaro; Kubo, Hidetoshi; Kurosawa, Shunsuke; Matsuoka, Yoshihiro; Miuchi, Kentaro; Mizumoto, Tetsuya; Nakamasu, Yuma; Nakamura, Kiseki; Parker, Joseph D.; Sawano, Tatsuya; Sonoda, Shinya; Tomono, Dai; Yoshikawa, Kei

    2017-01-01

    Since the discovery of nuclear gamma-rays, its imaging has been limited to pseudo imaging, such as Compton Camera (CC) and coded mask. Pseudo imaging does not keep physical information (intensity, or brightness in Optics) along a ray, and thus is capable of no more than qualitative imaging of bright objects. To attain quantitative imaging, cameras that realize geometrical optics is essential, which would be, for nuclear MeV gammas, only possible via complete reconstruction of the Compton process. Recently we have revealed that “Electron Tracking Compton Camera” (ETCC) provides a well-defined Point Spread Function (PSF). The information of an incoming gamma is kept along a ray with the PSF and that is equivalent to geometrical optics. Here we present an imaging-spectroscopic measurement with the ETCC. Our results highlight the intrinsic difficulty with CCs in performing accurate imaging, and show that the ETCC surmounts this problem. The imaging capability also helps the ETCC suppress the noise level dramatically by ~3 orders of magnitude without a shielding structure. Furthermore, full reconstruction of Compton process with the ETCC provides spectra free of Compton edges. These results mark the first proper imaging of nuclear gammas based on the genuine geometrical optics. PMID:28155870

  16. Nuclear spin singlet states as a contrast mechanism for NMR spectroscopy.

    PubMed

    Devience, Stephen J; Walsworth, Ronald L; Rosen, Matthew S

    2013-10-01

    Nuclear magnetic resonance (NMR) spectra of complex chemical mixtures often contain unresolved or hidden spectral components, especially when strong background signals overlap weaker peaks. In this article we demonstrate a quantum filter utilizing nuclear spin singlet states, which allows undesired NMR spectral background to be removed and target spectral peaks to be uncovered. The quantum filter is implemented by creating a nuclear spin singlet state with spin quantum numbers j = 0, mz  = 0 in a target molecule, applying a continuous RF field to both preserve the singlet state and saturate the magnetization of undesired molecules and then mapping the target molecule singlet state back into an NMR observable state so that its spectrum can be read out unambiguously. The preparation of the target singlet state can be carefully controlled with pulse sequence parameters, so that spectral contrast can be achieved between molecules with very similar structures. We name this NMR contrast mechanism 'Suppression of Undesired Chemicals using Contrast-Enhancing Singlet States' (SUCCESS) and we demonstrate it in vitro for three target molecules relevant to neuroscience: aspartate, threonine and glutamine.

  17. Theory of collective quantum effects of the nuclear spin bath in a Ge/Si core/shell nanowire quantum dot

    NASA Astrophysics Data System (ADS)

    Coish, William A.; Chesi, Stefano

    2012-02-01

    We study a quantum-dot spin-valve setup with a uniform hyperfine coupling of the electron spin to the nuclear bath. We propose Ge/Si core/shell nanowire quantum dots as a promising platform in which, through engineering of the nuclear spin positions and of the radial and longitudinal electron confinement, a nearly uniform hyperfine interaction can be realized. The dynamics of this coupled system are exactly soluble in terms of collective nuclear states with fixed total angular momentum. We theoretically show that the quantum-mechanical properties of such collective states of the nuclear spins can be probed through electron transport in this spin-valve setup. The associated transport current shows an enhancement due to coupling to collective modes in the nuclear-spin system directly analogous to the problem of superradiance in quantum optics. This effect is robust to dephasing of the nuclear spins and would provide a demonstration of large-scale collective quantum effects in a nuclear-spin system.

  18. Application of cryoprobe 1H nuclear magnetic resonance spectroscopy and multivariate analysis for the verification of corsican honey.

    PubMed

    Donarski, James A; Jones, Stephen A; Charlton, Adrian J

    2008-07-23

    Proton nuclear magnetic resonance spectroscopy ((1)H NMR) and multivariate analysis techniques have been used to classify honey into two groups by geographical origin. Honey from Corsica (Miel de Corse) was used as an example of a protected designation of origin product. Mathematical models were constructed to determine the feasibility of distinguishing between honey from Corsica and that from other geographical locations in Europe, using (1)H NMR spectroscopy. Honey from 10 different regions within five countries was analyzed. (1)H NMR spectra were used as input variables for projection to latent structures (PLS) followed by linear discriminant analysis (LDA) and genetic programming (GP). Models were generated using three methods, PLS-LDA, two-stage GP, and a combination of PLS and GP (PLS-GP). The PLS-GP model used variables selected by PLS for subsequent GP calculations. All models were generated using Venetian blind cross-validation. Overall classification rates for the discrimination of Corsican and non-Corsican honey of 75.8, 94.5, and 96.2% were determined using PLS-LDA, two-stage GP, and PLS-GP, respectively. The variables utilized by PLS-GP were related to their (1)H NMR chemical shifts, and this led to the identification of trigonelline in honey for the first time.

  19. Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods.

    PubMed

    Liu, Lei V; Bell, Caleb B; Wong, Shaun D; Wilson, Samuel A; Kwak, Yeonju; Chow, Marina S; Zhao, Jiyong; Hodgson, Keith O; Hedman, Britt; Solomon, Edward I

    2010-12-28

    Bleomycin (BLM) is a glycopeptide anticancer drug capable of effecting single- and double-strand DNA cleavage. The last detectable intermediate prior to DNA cleavage is a low spin Fe(III) peroxy level species, termed activated bleomycin (ABLM). DNA strand scission is initiated through the abstraction of the C-4' hydrogen atom of the deoxyribose sugar unit. Nuclear resonance vibrational spectroscopy (NRVS) aided by extended X-ray absorption fine structure spectroscopy and density functional theory (DFT) calculations are applied to define the natures of Fe(III)BLM and ABLM as (BLM)Fe(III)─OH and (BLM)Fe(III)(η(1)─OOH) species, respectively. The NRVS spectra of Fe(III)BLM and ABLM are strikingly different because in ABLM the δFe─O─O bending mode mixes with, and energetically splits, the doubly degenerate, intense O─Fe─N(ax) transaxial bends. DFT calculations of the reaction of ABLM with DNA, based on the species defined by the NRVS data, show that the direct H-atom abstraction by ABLM is thermodynamically favored over other proposed reaction pathways.

  20. Age-related changes in skeletal muscle composition: A pilot nuclear magnetic resonance spectroscopy study in mice.

    PubMed

    Sobolev, Anatoly P; Mannina, Luisa; Costanzo, Manuela; Cisterna, Barbara; Malatesta, Manuela; Zancanaro, Carlo

    2017-03-07

    The composition of skeletal muscle was investigated in the quadriceps and gastrocnemius muscle of 13-month-old (n=15) and 23-month-old (n=19) mice by means of high-resolution nuclear magnetic resonance (NMR) spectroscopy. Muscle specimens were dissected out, frozen in liquid nitrogen and extracted in chloroform/methanol, and proton NMR spectra of the resulting aqueous and organic fractions were obtained at 600MHz. Several metabolites were unambiguously identified and quantified. Multivariate ANOVA (factor: age, muscle, age×muscle) showed a significant main effect of age (P=0.031) on the amount of muscle metabolites, suggesting that the aging process affects the composition of skeletal muscle. Univariate tests showed significant differences for lactate, acetate, taurine, and uridine in 13- and 23-month-old mice. A trend for the effect of muscle (quadriceps vs. gastrocnemius; P=0.128) was also found. No significant muscle x age interaction was present. When the same data were used in principal component analysis, the first two principal components separated muscles (quadriceps and gastrocnemius) and ages (13- and 23-month-old), explaining 66.7% of total variance. The results of this pilot study show that high-resolution NMR spectroscopy is able to detect age-associated changes in skeletal muscle metabolites, thereby paving the way to future detailed metabolomics investigation in sarcopenia of aging.

  1. Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods.

    SciTech Connect

    Liu, L. V.; Bell, C. B., III; Wong, S. D.; Wilson, S. A.; Kwak, Y.; Chow, M.S.; Zhao, J.; Hodgson, K.O.; Hedman, B.; Solomon, E.I.

    2010-12-28

    Bleomycin (BLM) is a glycopeptide anticancer drug capable of effecting single- and double-strand DNA cleavage. The last detectable intermediate prior to DNA cleavage is a low spin Fe{sup III} peroxy level species, termed activated bleomycin (ABLM). DNA strand scission is initiated through the abstraction of the C-4{prime} hydrogen atom of the deoxyribose sugar unit. Nuclear resonance vibrational spectroscopy (NRVS) aided by extended X-ray absorption fine structure spectroscopy and density functional theory (DFT) calculations are applied to define the natures of Fe{sup III}BLM and ABLM as (BLM)Fe{sup III}-OH and (BLM)Fe{sup III}({eta}{sup 1}-OOH) species, respectively. The NRVS spectra of Fe{sup III}BLM and ABLM are strikingly different because in ABLM the {delta}Fe-O-O bending mode mixes with, and energetically splits, the doubly degenerate, intense O-Fe-N{sub ax} transaxial bends. DFT calculations of the reaction of ABLM with DNA, based on the species defined by the NRVS data, show that the direct H-atom abstraction by ABLM is thermodynamically favored over other proposed reaction pathways.

  2. Structural and dynamic properties of amorphous solid dispersions: the role of solid-state nuclear magnetic resonance spectroscopy and relaxometry.

    PubMed

    Paudel, Amrit; Geppi, Marco; Van den Mooter, Guy

    2014-09-01

    Amorphous solid dispersions (ASDs) are one of the frontier strategies to improve solubility and dissolution rate of poorly soluble drugs and hence tackling the growing challenges in oral bioavailability. Pharmaceutical performance, physicochemical stability, and downstream processability of ASD largely rely on the physical structure of the product. This necessitates in-depth characterization of ASD microstructure. Solid-state nuclear magnetic resonance (SS-NMR) techniques bear the ultimate analytical capabilities to provide the molecular level information on the dynamics and phase compositions of amorphous dispersions. SS-NMR spectroscopy/relaxometry, as a single and nondestructive technique, can reveal diverse and critical structural information of complex ASD formulations that are barely amenable from any other existing technique. The purpose of the current article is to review the recent most important studies on various sophisticated and information-rich one-dimensional and two-dimensional SS-NMR spectroscopy/relaxometry for the analysis of molecular mobility, miscibility, drug-carrier interactions, crystallinity, and crystallization in ASD. Some specific examples on microstructural elucidations of challenging ASD using multidimensional and multinuclear SS-NMR are presented. Additionally, some relevant examples on the utility of solution-NMR and NMR-imaging techniques for the investigation of the dissolution behavior of ASD are gathered.

  3. Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods

    PubMed Central

    Liu, Lei V.; Bell, Caleb B.; Wong, Shaun D.; Wilson, Samuel A.; Kwak, Yeonju; Chow, Marina S.; Zhao, Jiyong; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.

    2010-01-01

    Bleomycin (BLM) is a glycopeptide anticancer drug capable of effecting single- and double-strand DNA cleavage. The last detectable intermediate prior to DNA cleavage is a low spin FeIII peroxy level species, termed activated bleomycin (ABLM). DNA strand scission is initiated through the abstraction of the C-4′ hydrogen atom of the deoxyribose sugar unit. Nuclear resonance vibrational spectroscopy (NRVS) aided by extended X-ray absorption fine structure spectroscopy and density functional theory (DFT) calculations are applied to define the natures of FeIIIBLM and ABLM as (BLM)FeIII─OH and (BLM)FeIII(η1─OOH) species, respectively. The NRVS spectra of FeIIIBLM and ABLM are strikingly different because in ABLM the δFe─O─O bending mode mixes with, and energetically splits, the doubly degenerate, intense O─Fe─Nax transaxial bends. DFT calculations of the reaction of ABLM with DNA, based on the species defined by the NRVS data, show that the direct H-atom abstraction by ABLM is thermodynamically favored over other proposed reaction pathways. PMID:21149675

  4. Metabolic profile of different Italian cultivars of hazelnut (Corylus avellana) by nuclear magnetic resonance spectroscopy.

    PubMed

    Sciubba, Fabio; Di Cocco, Maria Enrica; Gianferri, Raffaella; Impellizzeri, Danilo; Mannina, Luisa; De Salvador, Flavio Roberto; Venditti, Alessandro; Delfini, Maurizio

    2014-01-01

    High-resolution proton NMR spectroscopy was performed on three Italian hazelnut cultivars, Tonda di Giffoni, Mortarella and Tonda Gentile Romana, and it allowed to define their metabolic profile. The hazelnuts were grown in the same pedoclimatic conditions in the Monti Cimini (Latium) area. The samples were obtained by using a modified Bligh-Dyer extraction protocol which did not give rise to artefacts arising from the demolition of macromolecular structures such as proteins and polysaccharides. Metabolites belonging to different chemical classes (amino acids, organic acids, carbohydrates, lipids and miscellaneous compounds) were identified and quantified. The three cultivars were discriminated by means of univariate (ANOVA) and multivariate (PCA) statistical analysis.

  5. X-Ray Spectroscopy, The Ellen Richards Prize, and Nuclear Proliferation: The Inspiring Life of Katherine Chamberlain

    NASA Astrophysics Data System (ADS)

    Geramita, Matthew

    2008-04-01

    In 1924, Katherine Chamberlain became the first woman to receive a doctorate in physics from the University of Michigan. As one of the first women in the world to earn a doctorate in physics, Katherine reached a level prominence in the scientific community that few women had achieved. As a scientist, Katherine studied the outer energy levels of various elements using x-ray spectroscopy at the University of Michigan. In her thesis, she showed the potential for x-rays to reduce highly oxidized compounds and in 1925 won the Ellen Richards Prize for the world's best scientific paper by a woman. As an educator, she taught an introduction to photography course for thirty-five years in the hopes of creating new ways to inspire a love for physics in her students. As a community leader, she worked with The United World Federalists and The Michigan Memorial Phoenix Project to find peaceful uses for nuclear energy. Looking at these aspects of Chamberlain's life offers a unique perspective on the physics community of the 1920's, physics education, and the nuclear panic that followed WWII.

  6. Optical Spectroscopy of Luminous Infrared Galaxies. II. Analysis of the Nuclear and Long-Slit Data

    NASA Astrophysics Data System (ADS)

    Veilleux, S.; Kim, D.-C.; Sanders, D. B.; Mazzarella, J. M.; Soifer, B. T.

    1995-05-01

    A spectroscopic survey of a sample of 200 luminous IRAS galaxies (LIGs: L_ir_^7^ > 3 x 10^10^ L_sun_; H_0_ = 75 km s^-1^ Mpc^-1^) was carried out using the Palomar 5 meter and University of Hawaii 2.2 m telescopes. Kim et al. (1995) described the data-taking and data-reduction procedures and presented line and continuum measurements extracted from the nucleus of these objects. In this paper, the nuclear data are combined with circumnuclear measurements on 23 of these galaxies to investigate the properties of the line-emitting gas and underlying stellar population in and out of the nucleus. The nuclear spectra of these galaxies were classified as H II region-like" or "AGN-like" using a large number of line-ratio diagnostics corrected for the underlying stellar absorption features. This correction is an important source of errors in some previous studies. The emission-line spectra of many AGNs were found to-be of relatively low ionization level and were therefore classified as LINER. We confirm that both the fraction of LIGs with AGN spectra and the fraction of Seyferts among the AGN increase with infrared luminosity, reaching values of 62% and 54% at the highest observed luminosities, respectively. The fraction of LINERs, on the other hand, is relatively constant at ~27%. The source of the ionization of the emission-line gas often is a function of the distance from the nucleus. Based on the emission-line ratios and the strengths of the stellar absorption features, circumnuclear starburst activity is a common feature of LIGs, regardless of their nuclear spectral types. The emission-line, absorption-line, continuum, radio, and IRAS properties of the LINERs suggest that most of the LINER emission in these infrared-selected galaxies is produced through shock ionization rather than photoionization by a genuine active nucleus. The nuclear region of Seyfert LIGs is found to be slightly less reddened than that of the LINERs and H II galaxies. The dust distribution generally

  7. Developing hyperpolarized krypton-83 for nuclear magnetic resonance spectroscopy and magnetic resonance imaging

    NASA Astrophysics Data System (ADS)

    Cleveland, Zackary I.

    This dissertation discusses the production of highly nonequilibrium nuclear spin polarization, referred to as hyperpolarization or hp, in the nuclear spin I = 9/2 noble gas isotope krypton-83 using spin exchange optical pumping (SEOP). This nonequilibrium polarization yields nuclear magnetic resonance (NMR) signals that are enhanced three or more orders of magnitude above those of thermally polarized krypton and enables experiments that would otherwise be impossible. Krypton-83 possesses a nuclear electric quadrupole moment that dominates the longitudinal (T1) relaxation due to coupling of the quadrupole moment to fluctuating electric field gradients generated by distortions to the spherical symmetry of the electronic environment. Relaxation slows polarization buildup and limits the maximum signal intensity but makes krypton-83 a sensitive probe of its environment. The gas-phase krypton-83 longitudinal relaxation rate increases linearly with total gas density due to binary collisions. Density independent relaxation, caused by the formation of krypton-krypton van der Waals molecules and surface adsorption, also contributes to the observed rate. Buffer gases suppress van der Waals molecule mediated relaxation by breaking apart the weakly bound krypton dimers. Surface relaxation is gas composition independent and therefore more difficult to suppress. However, this relaxation mechanism makes hp krypton-83 sensitive to important surface properties including surface-to-volume ratio, surface chemistry, and surface temperature. The presence of surfaces with high krypton adsorption affinities (i.e. hydrophobic surfaces) accelerates the relaxation times and can produce T1 contrast in hp krypton-83 magnetic resonance imaging (MRI). Tobacco smoke deposited on surfaces generates strong T1 contrast allowing the observation of smoke deposition with spatial resolution. Conversely, water adsorption on surfaces significantly lengths the T1 times due competitive surface adsorption

  8. Dynamic nuclear polarization NMR spectroscopy allows high-throughput characterization of microporous organic polymers.

    PubMed

    Blanc, Frédéric; Chong, Samantha Y; McDonald, Tom O; Adams, Dave J; Pawsey, Shane; Caporini, Marc A; Cooper, Andrew I

    2013-10-16

    Dynamic nuclear polarization (DNP) solid-state NMR was used to obtain natural abundance (13)C and (15)N CP MAS NMR spectra of microporous organic polymers with excellent signal-to-noise ratio, allowing for unprecedented details in the molecular structure to be determined for these complex polymer networks. Sensitivity enhancements larger than 10 were obtained with bis-nitroxide radical at 14.1 T and low temperature (∼105 K). This DNP MAS NMR approach allows efficient, high-throughput characterization of libraries of porous polymers prepared by combinatorial chemistry methods.

  9. Development of Nuclear Magnetic Resonance Imaging/spectroscopy for improved petroleum recovery. Final report

    SciTech Connect

    Barrufet, M.A.; Flumerfelt, F.W.; Walsh, M.P.; Watson, A.T.

    1994-04-01

    The overall objectives of this program are to develop and apply Nuclear Magnetic Resonance Imaging (NMRI) and CT X-Ray Scanning methods for determining rock, fluid, and petrophysical properties and for fundamental studies of multiphase flow behavior in porous media. Specific objectives are divided into four subtasks: (1) development of NMRI and CT scanning for the determination of rock-fluid and petrophysical properties; (2) development of NMRI and CT scanning for characterizing conventional multiphase displacement processes; (3) development of NMR and CT scanning for characterizing dispersed phase processes; and (4) miscible displacement studies.

  10. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    SciTech Connect

    Fukushima, Tatsuya; Yamamoto, Junichi; Fukuchi, Masashi; Kaji, Hironori; Hirata, Shuzo; Jung, Heo Hyo; Adachi, Chihaya; Hirata, Osamu; Shibano, Yuki

    2015-08-15

    Liquid organic light-emitting diodes (liquid OLEDs) are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR) experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  11. Core-to-Rydberg band shift and broadening of hydrogen bonded ammonia clusters studied with nitrogen K-edge excitation spectroscopy

    SciTech Connect

    Yamanaka, Takeshi; Takahashi, Osamu; Tabayashi, Kiyohiko; Namatame, Hirofumi; Taniguchi, Masaki; Tanaka, Kenichiro

    2012-01-07

    Nitrogen 1s (N ls) core-to-Rydberg excitation spectra of hydrogen-bonded clusters of ammonia (AM) have been studied in the small cluster regime of beam conditions with time-of-flight (TOF) fragment-mass spectroscopy. By monitoring partial-ion-yield spectra of cluster-origin products, ''cluster'' specific excitation spectra could be recorded. Comparison of the ''cluster'' band with ''monomer'' band revealed that the first resonance bands of clusters corresponding to N 1s{yields} 3sa{sub 1}/3pe of AM monomer are considerably broadened. The changes of the experimental core-to-Rydberg transitions {Delta}FWHM (N 1s{yields} 3sa{sub 1}/3pe) ={approx}0.20/{approx}0.50 eV compare well with the x ray absorption spectra of the clusters generated by using density functional theory (DFT) calculation. The broadening of the core-to-Rydberg bands in small clusters is interpreted as being primarily due to the splitting of non-equivalent core-hole N 1s states caused by both electrostatic core-hole and hydrogen-bonding (H{sub 3}N{center_dot}{center_dot}{center_dot}H-NH{sub 2}) interactions upon dimerization. Under Cs dimer configuration, core-electron binding energy of H-N (H-donor) is significantly decreased by the intermolecular core-hole interaction and causes notable redshifts of core-excitation energies, whereas that of lone-pair nitrogen (H-acceptor) is slightly increased and results in appreciable blueshifts in the core-excitation bands. The result of the hydrogen-bonding interaction strongly appears in the n-{sigma}* orbital correlation, destabilizing H-N donor Rydberg states in the direction opposite to the core-hole interaction, when excited N atom with H-N donor configuration strongly possesses the Rydberg component of anti-bonding {sigma}* (N-H) character. Contributions of other cyclic H-bonded clusters (AM){sub n} with n{>=} 3 to the spectral changes of the N 1s{yields} 3sa{sub 1}/3pe bands are also examined.

  12. A Nuclear Magnetic Resonance Spectroscopy Approach to Discriminate the Geographic Origin of Roasted Asian Sesame Oils.

    PubMed

    Jin, Gyungsu; Kim, Jeongeun; Lee, Yunhee; Kim, Jinyeong; Akoh, Casimir C; Chun, Hyang Sook; Ahn, Sangdoo; Kim, Byung Hee

    2017-02-24

    The aim of this study was to discriminate the geographic origin of Korean, Chinese, and Indian sesame oils distributed in Korea using (1)H NMR spectroscopy in combination with canonical discriminant analysis (CDA). (1)H NMR spectra were obtained from 84 roasted oil samples prepared from 51 Korean, 19 Chinese, and 14 Indian sesame seeds. The integration values of 26 peaks observed in the NMR spectra were determined and normalized on the basis of the peak derived from the terminal CH3 of the fatty acids (0.7446-1.0445 ppm). The variables selected for the CDA include the integration value of one peak (2.7208-2.8533 ppm) that signifies the CH2 between two C=C bonds from linoleic acid and the integration values of three peaks (2.9811-3.1151 ppm, 3.5914-3.6819 ppm, and 5.9471-5.9625 ppm) attributed to the protons of sesamolin. The CDA results showed that 80 of the 84 oil samples and five of the six additional commercial sesame oil samples were correctly classified based on their production site. This study demonstrated that (1)H NMR spectroscopy is a useful tool to simultaneously analyze the relative abundance of linoleic acid and sesamolin in the sesame oils and good discrimination between the three Asian sesame oils could be achieved when the (1)H NMR analytical data were used in combination with CDA.

  13. Using EPR spectroscopy to go from the Jahn-Teller effect to nuclear waste disposal

    NASA Astrophysics Data System (ADS)

    Boatner, L. A.

    2003-02-01

    Electron paramagnetic resonance (EPR) spectroscopy is a powerful technique for elucidating the fundamental solid-state-chemical and crystal-field ground-state electronic properties of rare-earth and actinide ions that are incorporated into single-crystal host materials. In the case of rare-earth or rare-earth-like ions that are characterized by a degenerate orbital doublet ground state when placed in a cubic crystal field, EPR has proven to be an extremely valuable approach to the study of various manifestations of the Jahn-Teller (J-T) effect. The contributions of EPR spectroscopy to the study of the J-T effect in ions such as La 2+, Y 2+ and Sc 2+ include the discovery of quadrupolar effects in J-T systems and a verification of Frank Ham's theory of the dynamic J-T effect. Such basic studies can often have unforeseen consequences—like leading to the discovery of new scintillators for gamma-ray detection or the development of a matrix for the disposal of radioactive waste.

  14. Interfacial Ca2+ environments in nanocrystalline apatites revealed by dynamic nuclear polarization enhanced 43Ca NMR spectroscopy

    PubMed Central

    Lee, Daniel; Leroy, César; Crevant, Charlène; Bonhomme-Coury, Laure; Babonneau, Florence; Laurencin, Danielle; Bonhomme, Christian; De Paëpe, Gaël

    2017-01-01

    The interfaces within bones, teeth and other hybrid biomaterials are of paramount importance but remain particularly difficult to characterize at the molecular level because both sensitive and selective techniques are mandatory. Here, it is demonstrated that unprecedented insights into calcium environments, for example the differentiation of surface and core species of hydroxyapatite nanoparticles, can be obtained using solid-state NMR, when combined with dynamic nuclear polarization. Although calcium represents an ideal NMR target here (and de facto for a large variety of calcium-derived materials), its stable NMR-active isotope, calcium-43, is a highly unreceptive probe. Using the sensitivity gains from dynamic nuclear polarization, not only could calcium-43 NMR spectra be obtained easily, but natural isotopic abundance 2D correlation experiments could be recorded for calcium-43 in short experimental time. This opens perspectives for the detailed study of interfaces in nanostructured materials of the highest biological interest as well as calcium-based nanosystems in general. PMID:28128197

  15. Improved estimates of formation factor for combined electrical and nuclear magnetic resonance models of permeability of sandstone cores

    NASA Astrophysics Data System (ADS)

    Osterman, G. K.; Keating, K.; Binley, A. M.; Slater, L. D.; McDonald, R.

    2014-12-01

    In spite of the importance of permeability in controlling numerous hydrogeological and biogeochemical processes, the property can be exceptionally difficult to measure directly in the field. Recently, nuclear magnetic resonance (NMR) has become an increasingly popular method, both in the lab and the field, for hydrogeophysical investigations due to its sensitivity to water content and pore surface area. Additionally, previous work has shown that the electrical formation factor can be used as a proxy for the tortuosity of the pore space—a parameter NMR is incapable of detecting—in permeability models. However, the formation factor is impossible to accurately measure in the field using DC electrical methods, as the measured conductivity cannot be decomposed into the fluid and surface conduction components. Therefore, our approach is to use induced polarization (IP) and spectral induced polarization (SIP) in the laboratory to correct for the influence of surface conductivity in the formation factor calculation. The corrected formation factor can then be used along with NMR parameters for more accurate permeability estimation. Laboratory SIP and NMR datasets were acquired on 40 sandstone cores with a range of permeabilities spanning six orders of magnitude as estimated from gas permeameter measurements. We examine how different estimates of the electrical formation factor can be combined with the NMR transverse relaxation time to estimate permeability. Specifically, we compare the electrical formation factor measured at high and low pore-fluid salinity with the formation factor derived using IP and SIP. Using both empirical and mechanistic petrophysical relationships, we explore the utility of IP- and SIP-corrected formation factors in tandem with NMR parameters for permeability prediction as compared to the low-salinity formation factor typically measured in the field. Furthermore, we develop our models using IP and SIP data that may be acquired in the field

  16. Double-core excitations in formamide can be probed by X-ray double-quantum-coherence spectroscopy

    PubMed Central

    Zhang, Yu; Healion, Daniel; Biggs, Jason D.; Mukamel, Shaul

    2013-01-01

    The attosecond, time-resolved X-ray double-quantum-coherence four-wave mixing signals of formamide at the nitrogen and oxygen K-edges are simulated using restricted excitation window time-dependent density functional theory and the excited core hole approximation. These signals, induced by core exciton coupling, are particularly sensitive to the level of treatment of electron correlation, thus providing direct experimental signatures of electron and core-hole many-body effects and a test of electronic structure theories. PMID:24981529

  17. Chemical structures of swine-manure chars produced under different carbonization conditions investigated by advanced solid-state 13C nuclear magnetic resonance (NMR) spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two types of swine manure chars, hydrothermally-produced hydrochar and slow-pyrolysis pyrochar, and their raw swine manure solid were characterized using advanced 13C solid-state nuclear magnetic resonance (NMR) spectroscopy. Compared with the parent raw swine manure, both hydrochars and pyrochar di...

  18. Assaying Used Nuclear Fuel Assemblies Using Lead Slowing-Down Spectroscopy and Singular Value Decomposition

    SciTech Connect

    Kulisek, Jonathan A.; Anderson, Kevin K.; Casella, Andrew M.; Gesh, Christopher J.; Warren, Glen A.

    2013-04-01

    This study investigates the use of a Lead Slowing-Down Spectrometer (LSDS) for the direct and independent measurement of fissile isotopes in light-water nuclear reactor fuel assemblies. The current study applies MCNPX, a Monte Carlo radiation transport code, to simulate the measurement of the assay of the used nuclear fuel assemblies in the LSDS. An empirical model has been developed based on the calibration of the LSDS to responses generated from the simulated assay of six well-characterized fuel assemblies. The effects of self-shielding are taken into account by using empirical basis vectors calculated from the singular value decomposition (SVD) of a matrix containing the self-shielding functions from the assay of assemblies in the calibration set. The performance of the empirical algorithm was tested on version 1 of the Next-Generation Safeguards Initiative (NGSI) used fuel library consisting of 64 assemblies, as well as a set of 27 diversion assemblies, both of which were developed by Los Alamos National Laboratory. The potential for direct and independent assay of the sum of the masses of Pu-239 and Pu-241 to within 2%, on average, has been demonstrated.

  19. Nuclear and in-source laser spectroscopy with the ISAC yield station

    SciTech Connect

    Kunz, Peter Bricault, Pierre; Dombsky, Marik; Lassen, Jens; Teigelhöfer, Andrea; Heggen, Henning; Andreoiu, Corina; Wong, Fiona

    2014-05-15

    A new decay station has been built for the ISAC facility at TRIUMF for the rapid and reliable characterization of radioactive ion beam (RIB) compositions and intensities with the capability of simultaneously collecting α, β, and γ decay data from RIB with intensities between a few and ≈10{sup 11} ions per second. It features user-friendly control, data acquisition, and analysis software. The analysis of individual decay time structures allows the unambiguous assignment of α and γ lines even with substantial isobaric contamination present. The capability for accurate half-life measurements is demonstrated with the example of {sup 46}K. The coupling of the yield station to the laser ion source, TRILIS, allows the correlation of radiometric data with automated laser frequency scans. First results of in-source laser spectroscopy measurements on astatine are discussed.

  20. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    PubMed

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter.

  1. Nuclear and in-source laser spectroscopy with the ISAC yield station

    NASA Astrophysics Data System (ADS)

    Kunz, Peter; Andreoiu, Corina; Bricault, Pierre; Dombsky, Marik; Lassen, Jens; Teigelhöfer, Andrea; Heggen, Henning; Wong, Fiona

    2014-05-01

    A new decay station has been built for the ISAC facility at TRIUMF for the rapid and reliable characterization of radioactive ion beam (RIB) compositions and intensities with the capability of simultaneously collecting α, β, and γ decay data from RIB with intensities between a few and ≈1011 ions per second. It features user-friendly control, data acquisition, and analysis software. The analysis of individual decay time structures allows the unambiguous assignment of α and γ lines even with substantial isobaric contamination present. The capability for accurate half-life measurements is demonstrated with the example of 46K. The coupling of the yield station to the laser ion source, TRILIS, allows the correlation of radiometric data with automated laser frequency scans. First results of in-source laser spectroscopy measurements on astatine are discussed.

  2. Monitoring of pistachio (Pistacia Vera) ripening by high field nuclear magnetic resonance spectroscopy.

    PubMed

    Sciubba, Fabio; Avanzato, Damiano; Vaccaro, Angela; Capuani, Giorgio; Spagnoli, Mariangela; Di Cocco, Maria Enrica; Tzareva, Irina Nikolova; Delfini, Maurizio

    2017-04-01

    The metabolic profiling of pistachio (Pistacia vera) aqueous extracts from two different cultivars, namely 'Bianca' and 'Gloria', was monitored over the months from May to September employing high field NMR spectroscopy. A large number of water-soluble metabolites were assigned by means of 1D and 2D NMR experiments. The change in the metabolic profiles monitored over time allowed the pistachio development to be investigated. Specific temporal trends of amino acids, sugars, organic acids and other metabolites were observed and analysed by multivariate Partial Least Squares (PLS) analysis. Statistical analysis showed that while in the period from May to September there were few differences between the two cultivars, the ripening rate was different.

  3. Probing the chemical structure in diamond-based materials using combined low-loss and core-loss electron energy-loss spectroscopy.

    PubMed

    Longo, Paolo; Twesten, Ray D; Olivier, Jaco

    2014-06-01

    We report the analysis of the changes in local carbon structure and chemistry caused by the self-implantation of carbon into diamond via electron energy-loss spectroscopy (EELS) plasmon energy shifts and core-edge fine structure fingerprinting. These two very different EELS energy and intensity ranges of the spectrum can be acquired under identical experimental conditions and nearly simultaneously using specially designed deflectors and energy offset devices known as "DualEELS." In this way, it is possible to take full advantage of the unique and complementary information that is present in the low- and core-loss regions of the EELS spectrum. We find that self-implanted carbon under the implantation conditions used for the material investigated in this paper creates an amorphous region with significant sp 2 content that varies across the interface.

  4. Jahn-Teller coupling and fragmentation after core-shell excitation in CF{sub 4} investigated by partial-ion-yield spectroscopy

    SciTech Connect

    Guillemin, Renaud; Stolte, Wayne C.; Lindle, Dennis W.; Piancastelli, Maria Novella

    2010-10-15

    We investigate fragmentation processes induced by core-level photoexcitation in CF{sub 4} at both the carbon and fluorine K edges by means of partial-ion-yield spectroscopy. The molecule CF{sub 4} is a textbook example of systems in which Jahn-Teller coupling strongly manifests itself in the photoabsorption spectrum. Spectral features related to Jahn-Teller and quasi-Jahn-Teller splitting are observed, and important differences in the fragmentation pathways are revealed depending on the symmetries of the core-excited states. We interpret these experimental observations on the grounds of symmetry lowering from the T{sub d} to the C{sub 3v} point group as well as preferential orientation with respect to the polarization vector of the incident radiation.

  5. Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory

    SciTech Connect

    Zhang, Yu; Mukamel, Shaul; Khalil, Munira; Govind, Niranjan

    2015-11-09

    Valence-to-core (VtC) X-ray emission spectroscopy (XES) has emerged as a power- ful technique for the structural characterization of complex organometallic compounds in realistic environments. Since the spectrum represents electronic transitions from the ligand molecular orbitals to the core holes of the metal centers, the approach is more chemically sensitive to the metal-ligand bonding character compared with con- ventional X-ray absorption techniques. In this paper we study how linear-response time-dependent density functional theory (LR-TDDFT) can be harnessed to simulate K-edge VtC X-ray emission spectra reliably. LR-TDDFT allows one to go beyond the single-particle picture that has been extensively used to simulate VtC-XES. We con- sider seven low- and high-spin model complexes involving chromium, manganese and iron transition metal centers. Our results are in good agreement with experiment.

  6. Electronic Charges and Electric Potential at LaAlO3/SrTiO3 Interfaces Studied by Core-Level Photoemission Spectroscopy

    SciTech Connect

    Hwang, Harold

    2011-08-19

    We studied LaAlO{sub 3}/SrTiO{sub 3} interfaces for varying LaAlO{sub 3} thickness by core-level photoemission spectroscopy. In Ti 2p spectra for conducting 'n-type' interfaces, Ti{sup 3+} signals appeared, which were absent for insulating 'p-type' interfaces. The Ti{sup 3+} signals increased with LaAlO{sub 3} thickness, but started well below the critical thickness of 4 unit cells for metallic transport. Core-level shifts with LaAlO{sub 3} thickness were much smaller than predicted by the polar catastrophe model. We attribute these observations to surface defects/adsorbates providing charges to the interface even below the critical thickness.

  7. Effect of nuclear motion on molecular high order harmonic pump probe spectroscopy.

    PubMed

    Bredtmann, Timm; Chelkowski, Szczepan; Bandrauk, André D

    2012-11-26

    We study pump-probe schemes for the real time observation of electronic motion on attosecond time scale in the molecular ion H(2)(+) and its heavier isotope T(2)(+) while these molecules dissociate on femtosecond time scale by solving numerically the non-Born-Oppenheimer time-dependent Schrödinger equation. The UV pump laser pulse prepares a coherent superposition of the three lowest lying quantum states and the time-delayed mid-infrared, intense few-femtosecond probe pulse subsequently generates molecular high-order harmonics (MHOHG) from this coherent electron-nuclear wavepacket (CENWP). Varying the pump-probe time delay by a few hundreds of attoseconds, the MHOHG signal intensity is shown to vary by orders of magnitude. Due to nuclear movement, the coherence of these two upper states and the ground state is lost after a few femtoseconds and the MHOHG intensity variations as function of pump-probe delay time are shown to be equal to the period of electron oscillation in the coherent superposition of the two upper dissociative quantum states. Although this electron oscillation period and hence the periodicity of the harmonic spectra are quite constant over a wide range of internuclear distances, a strong signature of nuclear motion is seen in the actual shapes and ways in which these spectra change as a function of pump-probe delay time, which is illustrated by comparison of the MHOHG spectra generated by the two isotopes H(2)(+) and T(2)(+). Two different regimes corresponding roughly to internuclear distances R < 4a(0) and R > 4a(0) are identified: For R < 4a(0), the intensity of a whole range of frequencies in the plateau region is decreased by orders of magnitude when the delay time is changed by a few hundred attoseconds whereas in the cutoff region the peaks in the MHOHG spectra are red-shifted with increasing pump-probe time delay. For R > 4a(0), on the other hand, the peaks both in the cutoff and plateau region are red-shifted with increasing delay times

  8. Metabolomic Analysis of Rat Brain by High Resolution Nuclear Magnetic Resonance Spectroscopy of Tissue Extracts

    PubMed Central

    Lutz, Norbert W.; Béraud, Evelyne; Cozzone, Patrick J.

    2014-01-01

    Studies of gene expression on the RNA and protein levels have long been used to explore biological processes underlying disease. More recently, genomics and proteomics have been complemented by comprehensive quantitative analysis of the metabolite pool present in biological systems. This strategy, termed metabolomics, strives to provide a global characterization of the small-molecule complement involved in metabolism. While the genome and the proteome define the tasks cells can perform, the metabolome is part of the actual phenotype. Among the methods currently used in metabolomics, spectroscopic techniques are of special interest because they allow one to simultaneously analyze a large number of metabolites without prior selection for specific biochemical pathways, thus enabling a broad unbiased approach. Here, an optimized experimental protocol for metabolomic analysis by high-resolution NMR spectroscopy is presented, which is the method of choice for efficient quantification of tissue metabolites. Important strengths of this method are (i) the use of crude extracts, without the need to purify the sample and/or separate metabolites; (ii) the intrinsically quantitative nature of NMR, permitting quantitation of all metabolites represented by an NMR spectrum with one reference compound only; and (iii) the nondestructive nature of NMR enabling repeated use of the same sample for multiple measurements. The dynamic range of metabolite concentrations that can be covered is considerable due to the linear response of NMR signals, although metabolites occurring at extremely low concentrations may be difficult to detect. For the least abundant compounds, the highly sensitive mass spectrometry method may be advantageous although this technique requires more intricate sample preparation and quantification procedures than NMR spectroscopy. We present here an NMR protocol adjusted to rat brain analysis; however, the same protocol can be applied to other tissues with minor

  9. A New Innovative Spherical Cermet Nuclear Fuel Element to Achieve an Ultra-Long Core Life for use in Grid-Appropriate LWRs

    SciTech Connect

    Senor, David J.; Painter, Chad L.; Geelhood, Ken J.; Wootan, David W.; Meriwether, George H.; Cuta, Judith M.; Adkins, Harold E.; Matson, Dean W.; Abrego, Celestino P.

    2007-12-01

    Spherical cermet fuel elements are proposed for use in the Atoms For Peace Reactor (AFPR-100) concept. AFPR-100 is a small-scale, inherently safe, proliferation-resistant reactor that would be ideal for deployment to nations with emerging economies that decide to select nuclear power for the generation of carbon-free electricity. The basic concept of the AFPR core is a water-cooled fixed particle bed, randomly packed with spherical fuel elements. The flow of coolant within the particle bed is at such a low rate that the bed does not fluidize. This report summarizes an approach to fuel fabrication, results associated with fuel performance modeling, core neutronics and thermal hydraulics analyses demonstrating a ~20 year core life, and a conclusion that the proliferation resistance of the AFPR reactor concept is high.

  10. Light Absorption Spectroscopy as a Paleoclimate and Correlation Technique for the CRP and CIROS-1 Drill Cores, McMurdo Sound, Antarctica

    NASA Astrophysics Data System (ADS)

    Vanden Berg, M. D.; Jarrard, R. D.

    2001-12-01

    Coring at CIROS-1 and at the three drillsites of the Cape Roberts Project (CRP) provided a record of glacial influence in McMurdo Sound, Antarctica, during the Late Eocene and Oligocene. All four sites have well established sequence stratigraphies. Prior analyses of one CRP site, CRP-2, suggested a correlation between sequence stratigraphy and provenance, attributed to a link between local sea level and climate. However, sampling density was low. We have used light absorption spectroscopy (LAS) for high-resolution (0.5-1.0 m spacing) determination of downcore mineralogic variations at the four sites. LAS is a rapid, nondestructive mineral identification technique that measures the absorption spectrum, in visible and near-infrared bands (350-2500 nm), of light reflected from any surface. At these drillsites, relative abundance of smectite and illite is thought to reflect warm/humid (smectite-rich) versus cold/dry (illite-rich) paleoclimates. The 3300 LAS-based measurements of smectite/illite variations, confirmed by widely spaced XRD determinations, exhibit a pattern of generally higher smectite contents within highstand system tracts, suggesting that warmer climates correspond to higher local sea levels. Conversion of these high-resolution records from core depth to age is hampered by correlation uncertainties between the CIROS-1 and CRP cores. The smectite/illite curves, as well as other spectral characteristics, are very useful in correlating these Antarctic drill cores.

  11. Finite-Difference Time-Domain (FDTD) Modeling of Gold Core-Shell Structures with Different Shell Morphology for Surface-Enhanced Raman Spectroscopy (SERS)

    NASA Astrophysics Data System (ADS)

    Gorunmez, Zohre; Jana, Debrina; He, Jie; Sagle, Laura; Beck, Thomas

    Core-shell (CS) nanostructures have received attention in recent years due to their usefulness in applications ranging from catalysis to cancer treatment. SERS has been shown to be one of the most sensitive techniques for molecular detection, achieving single molecule detection. It has been established that the electromagnetic mechanism (EM) provides the main contribution to SERS enhancement due to the normal Raman spectroscopy arising from coupling of both the incident and re-emitted fields. The FDTD technique has been developed to provide numerical solutions to Maxwell's time-dependent curl equations in order to promise modeling capabilities for EM enhancement of SERS. Herein, we apply this method to the study of three morphologically different gold core-shell nanoparticles to investigate their contributions to SERS. In these structures, the dye/probe molecule resides in between the shell and the core and only the shell morphology is altered. The data shows that the surface plasmon resonances (PRs) influencing the SERS of the probe molecules, due to the coupling of the core and shell, are tunable by changing the shell morphologies and CS structures with sharp features on their surfaces highlight larger enhancements due to stronger localized surface PRs. University of Cincinnati start-up funds, NSF, Ohio Supercomputer Center, and the Ministry of National Education of the Republic of Turkey.

  12. QUANTUM CONTROL OF LIGHT: From Slow Light and FAST CARS to Nuclear γ-ray Spectroscopy

    NASA Astrophysics Data System (ADS)

    Scully, Marlan

    2007-06-01

    In recent work we have demonstrated strong coherent backward wave oscillation using forward propagating fields only. This surprising result is achieved by applying laser fields to an ultra-dispersive medium with proper chosen detunings to excite a molecular vibrational coherence that corresponds to a backward propagating wave [PRL, 97, 113001 (2006)]. The physics then has much in common with propagation of ultra-slow light. Applications of coherent scattering and remote sensing to the detection of bio and chemical pathogens (e.g., anthrax) via Coherent Anti-Raman Scattering together with Femtosecond Adaptive Spectroscopic Techniques (FAST CARS [Opt. Comm., 244, 423 (2005)]) will be discussed. Furthermore, the interplay between quantum optics (Dicke super and sub-radiant states) and nuclear physics (forward scattering of γ radiation) provides interesting problems and insights into the quantum control of scattered light [PRL, 96, 010501 (2005)].

  13. Erythrocytes in muscular dystrophy. Investigation with 31P nuclear magnetic resonance spectroscopy

    SciTech Connect

    Sarpel, G.; Lubansky, H.J.; Danon, M.J.; Omachi, A.

    1981-05-01

    Phosphorus 31 nuclear magnetic resonance (31P NMR) signals were recorded from intact human erythrocytes for 16 hours. Total phosphate concentration, which was estimated as the sum of the individual 31P signals, was 25% lower in erythrocytes from men with myotonic dystrophy than in control erythrocytes. The inorganic-phosphate fraction contained the highest average phosphate concentration over the 16-hour period, and made the major contribution to the difference in total phosphate between the two groups. This result was not observed in erythrocytes from either women with myotonic dystrophy or patients with Duchenne's dystrophy and may be due to a change in cell membrane permeability to inorganic phosphate, which lead to lower steady-state concentrations of the intracellular phosphates.

  14. Erythrocytes in muscular dystrophy. Investigation with /sup 31/P nuclear magnetic resonance spectroscopy

    SciTech Connect

    Sarpel, G.; Lubansky, H.J.; Danon, M.J.; Omachi, A.

    1981-05-01

    Phosphorus 31 nuclear magnetic resonance (/sup 31/P NMR) signals were recorded from intact human erythrocytes for 16 hours. Total phosphate concentration, which was estimated as the sum of the individual /sup 31/P signals, was 25% lower in erythrocytes from men with myotonic dystrophy than in control erythrocytes. The inorganic-phosphate fraction contained the highest average phosphate concentration over the 16-hour period, and made the major contribution to the difference in total phosphate between the two groups. This result was not observed in erythrocytes from either women with myotonic dystrophy or patients with Duchenne's dystrophy and may be due to a change in cell membrane permeability to inorganic phosphate, which leads to lower steady-state concentrations of the intracellular phosphates.

  15. A reactor for high-throughput high-pressure nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Beach, N. J.; Knapp, S. M. M.; Landis, C. R.

    2015-10-01

    The design of a reactor for operando nuclear magnetic resonance (NMR) monitoring of high-pressure gas-liquid reactions is described. The Wisconsin High Pressure NMR Reactor (WiHP-NMRR) design comprises four modules: a sapphire NMR tube with titanium tube holder rated for pressures as high as 1000 psig (68 atm) and temperatures ranging from -90 to 90 °C, a gas circulation system that maintains equilibrium concentrations of dissolved gases during gas-consuming or gas-releasing reactions, a liquid injection apparatus that is capable of adding measured amounts of solutions to the reactor under high pressure conditions, and a rapid wash system that enables the reactor to be cleaned without removal from the NMR instrument. The WiHP-NMRR is compatible with commercial 10 mm NMR probes. Reactions performed in the WiHP-NMRR yield high quality, information-rich, and multinuclear NMR data over the entire reaction time course with rapid experimental turnaround.

  16. Core-level transient absorption spectroscopy as a probe of electron hole relaxation in photoionized H+(H2O)n.

    PubMed

    Li, Zheng; El-Amine Madjet, Mohamed; Vendrell, Oriol; Santra, Robin

    2014-01-01

    There is fundamental interest in understanding the coupled nuclear and electronic dynamics associated with charge transfer processes in complex molecules and materials, which are often mediated by electron, electron hole or proton motion. With dramatic improvements in the techniques to generate extreme ultraviolet (XUV) and X-ray femtosecond pulses, it now becomes possible to trigger and probe these kinds of processes in real time. Here we study the dynamics of an electron hole created by photoionization in the valence shell of protonated water clusters H(+)(H(2)O)(n). We demonstrate that the electron hole is strongly correlated with the protons forming the hydrogen bond network. We show that it is possible to probe key aspects of the valence electron hole dynamics and the coupled nuclear motion with femtosecond time resolution by resonantly exciting K-shell 1s electrons to fill the electron hole. This represents an opportunity for X-ray transient absorption spectroscopy.

  17. Determining the stable isotope composition of pore water from saturated and unsaturated zone core: improvements to the direct vapor equilibration laser spectroscopy method

    NASA Astrophysics Data System (ADS)

    Hendry, M. J.; Schmeling, E.; Wassenaar, L. I.; Barbour, S. L.; Pratt, D.

    2015-06-01

    A method to measure the δ2H and δ18O composition of pore waters in saturated and unsaturated geologic core samples using direct vapor equilibration and laser spectroscopy (DVE-LS) was first described in 2008, and has since been widely adopted by others. Here, we describe a number of important methodological improvements and limitations encountered in routine application of DVE-LS over several years. Generally, good comparative agreement and accuracy is obtained between core pore water isotopic data obtained using DVE-LS and that measured on water squeezed from the same core. In complex hydrogeologic settings, high-resolution DVE-LS depth profiles provide greater spatial resolution of isotopic profiles compared to long-screened or nested piezometers. When fluid is used during drilling and coring (e.g., water rotary or wet sonic drill methods), spiking the drill fluid with 2H can be conducted to identify core contamination. DVE-LS analyses yield accurate formational isotopic data for fine-textured core (e.g., clay, shale) samples, but are less effective for cores obtained from saturated permeable (e.g., sand, gravels) geologic media or on chip samples that are easily contaminated by wet rotary drilling fluid. Data obtained from DVE-LS analyses of core samples collected using wet (contamination by drill water) and dry sonic (water loss by heating) methods were also problematic. Accurate DVE-LS results can be obtained on core samples with gravimetric water contents < 5 % by increasing the sample size tested. Inexpensive Ziploc™ gas sampling bags were determined to be as good as, if not better, than other, more expensive bags. Sample storage in gas tight sample bags provides acceptable results for up to 10 days of storage; however, measureable water loss and evaporitic isotopic enrichment occurs for samples stored for up to 6 months. With appropriate care taken during sample collection and storage, the DVE-LS approach for obtaining high resolution pore water

  18. Observation of terahertz vibrations in Pyrococcus furiosus rubredoxin via impulsive coherent vibrational spectroscopy and nuclear resonance vibrational spectroscopy--interpretation by molecular mechanics.

    PubMed

    Tan, Ming-Liang; Bizzarri, Anna Rita; Xiao, Yuming; Cannistraro, Salvatore; Ichiye, Toshiko; Manzoni, Cristian; Cerullo, Giulio; Adams, Michael W W; Jenney, Francis E; Cramer, Stephen P

    2007-03-01

    We have used impulsive coherent vibrational spectroscopy (ICVS) to study the Fe(S-Cys)(4) site in oxidized rubredoxin (Rd) from Pyrococcus furiosus (Pf). In this experiment, a 15 fs visible laser pulse is used to coherently pump the sample to an excited electronic state, and a second <10 fs pulse is used to probe the change in transmission as a function of the time delay. PfRd was observed to relax to the ground state by a single exponential decay with time constants of approximately 255-275 fs. Superimposed on this relaxation are oscillations caused by coherent excitation of vibrational modes in both excited and ground electronic states. Fourier transformation reveals the frequencies of these modes. The strongest ICV mode with 570 nm excitation is the symmetric Fe-S stretching mode near 310 cm(-1), compared to 313 cm(-1) in the low temperature resonance Raman. If the rubredoxin is pumped at 520 nm, a set of strong bands occurs between 20 and 110 cm(-1). Finally, there is a mode at approximately 500 cm(-1) which is similar to features near 508 cm(-1) in blue Cu proteins that have been attributed to excited state vibrations. Normal mode analysis using 488 protein atoms and 558 waters gave calculated spectra that are in good agreement with previous nuclear resonance vibrational spectra (NRVS) results. The lowest frequency normal modes are identified as collective motions of the entire protein or large segments of polypeptide. Motion in these modes may affect the polar environment of the redox site and thus tune the electron transfer functions in rubredoxins.

  19. Integral field spectroscopy of the circum-nuclear region of the radio Galaxy Pictor A

    NASA Astrophysics Data System (ADS)

    Couto, Guilherme S.; Storchi-Bergmann, Thaisa; Robinson, Andrew; Riffel, Rogemar A.; Kharb, Preeti; Lena, Davide; Schnorr-Müller, Allan

    2016-05-01

    We present optical integral field spectroscopy of the inner 2.5 × 3.4 kpc2 of the broad-line radio galaxy Pictor A, at a spatial resolution of ≈400 pc. Line emission is observed over the whole field of view, being strongest at the nucleus and in an elongated linear feature (ELF) crossing the nucleus from the south-west to the north-east along PA ≈70°. Although the broad double-peaked Hα line and the [O I]6300/Hα and [S II]6717+31/Hα ratios are typical of active galactic nuclei (AGNs), the [N II]6584/Hα ratio (0.15-0.25) is unusually low. We suggest that this is due to the unusually low metallicity of the gas. Centroid velocity maps show mostly blueshifts to the south and redshifts to the north of the nucleus, but the velocity field is not well fitted by a rotation model. Velocity dispersions are low (<100 km s- 1 ) along the ELF, ruling out a jet-cloud interaction as the origin of this structure. The ELF shows both blueshifts and redshifts in channel maps, suggesting that it is close to the plane of the sky. The ELF is evidently photoionized by the AGN, but its kinematics and inferred low metallicity suggest that this structure may have originated in a past merger event with another galaxy. We suggest that the gas acquired in this interaction may be feeding the ELF.

  20. Probing the spatial distribution of nuclear magnetism in francium by optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Aubin, S.; Tandecki, M.; Behr, J. A.; Pearson, M. R.; Zhang, J.; Orozco, L. A.; Collister, R.; Gwinner, G.; Gomez, E.

    2013-10-01

    The recently commissioned Francium Trapping Facility at TRIUMF in Vancouver, Canada will enable experiments to study weak interactions in francium atoms. We have successfully trapped and cooled 206 , 207 , 209 , 213 , 221Fr isotopes in large quantities (104 to 105) with trap lifetimes comparable to the radioactive lifetimes of the shortest lived trapped isotope (t1/2 = 14.8s). We use a combination of radio-frequency and optical spectroscopy to determine the hyperfine splittings of the 7P1 / 2 level of isotopes 206 , 207 , 209 , 213Fr to the 100 ppm level. These measurements, in combination with the known hyperfine ground state splittings, can be used to study the hyperfine anomaly in these isotopes. Our results extend previous work on the neutron distribution to a closed neutron shell isotope (213) and to neutron deficient isotopes (206, 207). These spectroscopic measurements also allow us to extract the isotope shifts to study changes in the charge radius. Work supported by NSERC and NRC from Canada, NSF and DOE from USA, and CONACYT from Mexico.

  1. Direct affinity of dopamine to lipid membranes investigated by Nuclear Magnetic Resonance spectroscopy.

    PubMed

    Matam, Yashasvi; Ray, Bruce D; Petrache, Horia I

    2016-04-08

    Dopamine, a naturally occurring neurotransmitter, plays an important role in the brain's reward system and acts on sensory receptors in the brain. Neurotransmitters are contained in lipid membraned vesicles and are released by exocytosis. All neurotransmitters interact with transport and receptor proteins in glial cells, on neuronal dendrites, and at the axonal button, and also must interact with membrane lipids. However, the extent of direct interaction between lipid membranes in the absence of receptors and transport proteins has not been extensively investigated. In this report, we use UV and NMR spectroscopy to determine the affinity and the orientation of dopamine interacting with lipid vesicles made of either phosphatidylcholine (PC) or phosphatidylserine (PS) lipids which are primary lipid components of synaptic vesicles. We quantify the interaction of dopamine's aromatic ring with lipid membranes using our newly developed method that involves reference spectra in hydrophobic environments. Our measurements show that dopamine interacts with lipid membranes primarily through the aromatic side opposite to the hydroxyl groups, with this aromatic side penetrating deeper into the hydrophobic region of the membrane. Since dopamine's activity involves its release into extracellular space, we have used our method to also investigate dopamine's release from lipid vesicles. We find that dopamine trapped inside PC and PS vesicles is released into the external solution despite its affinity to membranes. This result suggests that dopamine's interaction with lipid membranes is complex and involves both binding as well as permeation through lipid bilayers, a combination that could be an effective trigger for apoptosis of dopamine-generating cells.

  2. Analysis of Soft Drinks Using Nuclear Magnetic Resonance Spectroscopy: A Mentorship

    NASA Astrophysics Data System (ADS)

    Wilson, Arkim; Myers, Craig; Crull, George; Curtis, Michael; Pasciak Patterson, Pamela

    1999-10-01

    This mentorship was designed to expose a student to the laboratory routine for a chemist at Bristol Myers Squibb Company (BMS). The student visited BMS, collaborated with BMS scientists, and actually completed a project on site. He was asked to determine the identity of an unknown sample of soft drink retrieved from a fictitious crime scene using NMR spectroscopy. He designed an experiment to test the unknown sample and used samples of purified sugar, purified caffeine, purified citric acid, Coke, Diet Coke, Pepsi, Mountain Dew, Diet 7-Up, and Sam's Diet Cola as controls. The results were analyzed and presented in a final report. The student was able to determine if the unknown contained sugar, caffeine, Nutrasweet, or sodium benzoate. He learned how to compile relevant information, conduct an experiment, collect and analyze data, draw conclusions, and prepare and edit a formal report. In addition to learning the uses of NMR, he also learned some of its limitations. In the final report, he was encouraged to reflect on the difficulties a scientist might encounter when trying to identify NMR peaks without an "ingredient list" like those of the soft drink cans. The experience was rewarding for the student and all scientists involved.

  3. Environmentally sensitive paramagnetic and diamagnetic contrast agents for nuclear magnetic resonance imaging and spectroscopy.

    PubMed

    Pacheco-Torres, Jesus; Calle, Daniel; Lizarbe, Blanca; Negri, Viviana; Ubide, Carmen; Fayos, Rosa; Larrubia, Pilar López; Ballesteros, Paloma; Cerdan, Sebastian

    2011-01-01

    Even though alterations in the microenvironmental properties of tissues underlie the development of the most prevalent and morbid pathologies, they are not directly observable in vivo by Magnetic Resonance Imaging (MRI) or Spectroscopy (MRS) methods. This circumstance has lead to the development of a wide variety of exogenous paramagnetic and diamagnetic MRI and MRS probes able to inform non invasively on microenvironmental variables such as pH, pO(2), ion concentration o even temperature. This review covers the fundamentals of environmental contrast and the current arsenal of endogenous and exogenous MRI and MRS contrast enhancing agents available to visualize it. We begin describing the physicochemical background necessary to understand paramagnetic and diamagnetic contrast enhancement with a special reference to novel magnetization transfer and (13)C hyperpolarization strategies. We describe then the main macrocyclic structures used to support the environmentally sensitive paramagnetic sensors, including CEST and PARACEST pH sensitive probes, temperature probes and enzyme activity or gene expression activatable probes. Finally we address the most commonly used diamagnetic contrast agents including imidazolic derivatives to reveal extracellular pH and tissue pO(2) values by MRS. The potential applications of these agents in multimodal and molecular imaging approaches are discussed.

  4. Neutron scattering and nuclear magnetic resonance spectroscopy structural studies of protein-DNA complexes

    SciTech Connect

    Bradbury, E.M.; Catasti, P.; Chen, X.; Gupta, G.; Imai, B.; Moyzis, R.; Ratliff, R.; Velupillai, S.

    1996-03-01

    This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project sought to employ advanced biophysical measurements to study the structure of nucleosomes and the structure of origins of DNA replication. The fundamental repeating unit of human chromosomes is the nucleosome, which contains about 200 base pairs of DNA and 9 histone proteins. Genome replication is strictly associated with the reversible acetylations of histones that unfold chromatin to allow access of factors to origins of DNA replications. The authors have studied two major structural problems: (1) the effects of histone acetylation on nucleosome structure, and (2) the structure of DNA origins of replication. They have recently completed preliminary X-ray scattering experiments at Stanford on positioned nucleosomes with defined DNA sequence and length, histone composition and level of acetylation. These experiments have shown that lengths of the DNA and acetylations of the histone H4 result in nucleosome structural changes. To understand internucleosomal interactions and the roles of histone H1 the authors have made preliminary x-ray scatter studies on native dinucleosomes that have demonstrated the feasibility of these experiments. The DNA sequence of the yeast replication origin has been synthesized for structure determination by multi-dimensional NMR spectroscopy.

  5. Terahertz Time-Domain Spectroscopy for In Situ Monitoring of Ceramic Nuclear Waste Forms

    NASA Astrophysics Data System (ADS)

    Clark, Braeden M.; Sundaram, S. K.

    2016-10-01

    The use of terahertz time-domain spectroscopy (THz-TDS) is presented as a non-contact method for in situ monitoring of ceramic waste forms. Single-phase materials of zirconolite (CaZrTi2O7), pyrochlore (Nd2Ti2O7), and hollandite (BaCs0.3Cr2.3Ti5.7O16 and BaCs0.3CrFeAl0.3Ti5.7O16) were characterized. The refractive index and dielectric properties in THz frequencies demonstrate the ability to distinguish between these materials. Differences in processing methods show distinct changes in both the THz-TDS spectra and optical and dielectric properties of these ceramic phases. The temperature dependence of the refractive index and relative permittivity of pyrochlore and zirconolite materials in the range of 25-200 °C is found to follow an exponential increasing trend. This can also be used to monitor the temperature of the ceramic waste forms on storage over extended geological time scales.

  6. LOKET—a gamma-ray spectroscopy system for in-pool measurements of thermal power distribution in irradiated nuclear fuel

    NASA Astrophysics Data System (ADS)

    Matsson, Ingvar; Grapengiesser, Björn; Andersson, Björn

    2006-12-01

    An important issue in the operations of nuclear power plants is the independent validation of core physics codes like e.g. Westinghouse PHOENIX-4/POLCA-7. Such codes are used to predict the thermal power distribution down to single node level in the core. In this paper, a dedicated measurement system (LOKET) is described and experimental results are discussed. The system is based on a submergible housing, containing a high-resolution germanium detector, allowing for measurements in-pool. The system can be transported to virtually any nuclear power plant's fuel storage pool for measurements in-pool during outage. The methodology utilises gamma radiation specific for 140La, whose decay is governed by the parent 140Ba, reflecting a weighted average power distribution, representative for the last weeks of operation of the core. Good agreements between measured power distribution and core physics calculations (Ba distribution) have been obtained during a series of experiments at Leibstadt NPP in Switzerland and Cofrentes NPP in Spain (BWRs) for both fuel assemblies and single fuel rods. The system has proven as a very useful tool for the experimental validation of core calculations also for the most complex fuel designs and challenging core configurations. Experimental errors (on the 1- σ level), has been demonstrated below ±2% on nodal level for assembly measurements.

  7. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state.

    PubMed

    Morini, Filippo; Watanabe, Noboru; Kojima, Masataka; Deleuze, Michael Simon; Takahashi, Masahiko

    2015-10-07

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b1, 6a1, 4b2, and 1a2 orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A1, B1, and B2 symmetries, which correspond to C-H stretching and H-C-H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  8. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    SciTech Connect

    Morini, Filippo; Deleuze, Michael Simon; Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko

    2015-10-07

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  9. Metabolomics with Nuclear Magnetic Resonance Spectroscopy in a Drosophila melanogaster Model of Surviving Sepsis

    PubMed Central

    Bakalov, Veli; Amathieu, Roland; Triba, Mohamed N.; Clément, Marie-Jeanne; Reyes Uribe, Laura; Le Moyec, Laurence; Kaynar, Ata Murat

    2016-01-01

    Patients surviving sepsis demonstrate sustained inflammation, which has been associated with long-term complications. One of the main mechanisms behind sustained inflammation is a metabolic switch in parenchymal and immune cells, thus understanding metabolic alterations after sepsis may provide important insights to the pathophysiology of sepsis recovery. In this study, we explored metabolomics in a novel Drosophila melanogaster model of surviving sepsis using Nuclear Magnetic Resonance (NMR), to determine metabolite profiles. We used a model of percutaneous infection in Drosophila melanogaster to mimic sepsis. We had three experimental groups: sepsis survivors (infected with Staphylococcus aureus and treated with oral linezolid), sham (pricked with an aseptic needle), and unmanipulated (positive control). We performed metabolic measurements seven days after sepsis. We then implemented metabolites detected in NMR spectra into the MetExplore web server in order to identify the metabolic pathway alterations in sepsis surviving Drosophila. Our NMR metabolomic approach in a Drosophila model of recovery from sepsis clearly distinguished between all three groups and showed two different metabolomic signatures of inflammation. Sham flies had decreased levels of maltose, alanine, and glutamine, while their level of choline was increased. Sepsis survivors had a metabolic signature characterized by decreased glucose, maltose, tyrosine, beta-alanine, acetate, glutamine, and succinate. PMID:28009836

  10. A reactor for high-throughput high-pressure nuclear magnetic resonance spectroscopy.

    PubMed

    Beach, N J; Knapp, S M M; Landis, C R

    2015-10-01

    The design of a reactor for operando nuclear magnetic resonance (NMR) monitoring of high-pressure gas-liquid reactions is described. The Wisconsin High Pressure NMR Reactor (WiHP-NMRR) design comprises four modules: a sapphire NMR tube with titanium tube holder rated for pressures as high as 1000 psig (68 atm) and temperatures ranging from -90 to 90 °C, a gas circulation system that maintains equilibrium concentrations of dissolved gases during gas-consuming or gas-releasing reactions, a liquid injection apparatus that is capable of adding measured amounts of solutions to the reactor under high pressure conditions, and a rapid wash system that enables the reactor to be cleaned without removal from the NMR instrument. The WiHP-NMRR is compatible with commercial 10 mm NMR probes. Reactions performed in the WiHP-NMRR yield high quality, information-rich, and multinuclear NMR data over the entire reaction time course with rapid experimental turnaround.

  11. Introduction of the Floquet-Magnus expansion in solid-state nuclear magnetic resonance spectroscopy.

    PubMed

    Mananga, Eugène S; Charpentier, Thibault

    2011-07-28

    In this article, we present an alternative expansion scheme called Floquet-Magnus expansion (FME) used to solve a time-dependent linear differential equation which is a central problem in quantum physics in general and solid-state nuclear magnetic resonance (NMR) in particular. The commonly used methods to treat theoretical problems in solid-state NMR are the average Hamiltonian theory (AHT) and the Floquet theory (FT), which have been successful for designing sophisticated pulse sequences and understanding of different experiments. To the best of our knowledge, this is the first report of the FME scheme in the context of solid state NMR and we compare this approach with other series expansions. We present a modified FME scheme highlighting the importance of the (time-periodic) boundary conditions. This modified scheme greatly simplifies the calculation of higher order terms and shown to be equivalent to the Floquet theory (single or multimode time-dependence) but allows one to derive the effective Hamiltonian in the Hilbert space. Basic applications of the FME scheme are described and compared to previous treatments based on AHT, FT, and static perturbation theory. We discuss also the convergence aspects of the three schemes (AHT, FT, and FME) and present the relevant references.

  12. A reactor for high-throughput high-pressure nuclear magnetic resonance spectroscopy

    SciTech Connect

    Beach, N. J.; Knapp, S. M. M.; Landis, C. R.

    2015-10-15

    The design of a reactor for operando nuclear magnetic resonance (NMR) monitoring of high-pressure gas-liquid reactions is described. The Wisconsin High Pressure NMR Reactor (WiHP-NMRR) design comprises four modules: a sapphire NMR tube with titanium tube holder rated for pressures as high as 1000 psig (68 atm) and temperatures ranging from −90 to 90 °C, a gas circulation system that maintains equilibrium concentrations of dissolved gases during gas-consuming or gas-releasing reactions, a liquid injection apparatus that is capable of adding measured amounts of solutions to the reactor under high pressure conditions, and a rapid wash system that enables the reactor to be cleaned without removal from the NMR instrument. The WiHP-NMRR is compatible with commercial 10 mm NMR probes. Reactions performed in the WiHP-NMRR yield high quality, information-rich, and multinuclear NMR data over the entire reaction time course with rapid experimental turnaround.

  13. Analysis of the Aspergillus fumigatus Biofilm Extracellular Matrix by Solid-State Nuclear Magnetic Resonance Spectroscopy

    PubMed Central

    Reichhardt, Courtney; Ferreira, Jose A. G.; Joubert, Lydia-Marie; Clemons, Karl V.; Stevens, David A.

    2015-01-01

    Aspergillus fumigatus is commonly responsible for lethal fungal infections among immunosuppressed individuals. A. fumigatus forms biofilm communities that are of increasing biomedical interest due to the association of biofilms with chronic infections and their increased resistance to antifungal agents and host immune factors. Understanding the composition of microbial biofilms and the extracellular matrix is important to understanding function and, ultimately, to developing strategies to inhibit biofilm formation. We implemented a solid-state nuclear magnetic resonance (NMR) approach to define compositional parameters of the A. fumigatus extracellular matrix (ECM) when biofilms are formed in RPMI 1640 nutrient medium. Whole biofilm and isolated matrix networks were also characterized by electron microscopy, and matrix proteins were identified through protein gel analysis. The 13C NMR results defined and quantified the carbon contributions in the insoluble ECM, including carbonyls, aromatic carbons, polysaccharide carbons (anomeric and nonanomerics), aliphatics, etc. Additional 15N and 31P NMR spectra permitted more specific annotation of the carbon pools according to C-N and C-P couplings. Together these data show that the A. fumigatus ECM produced under these growth conditions contains approximately 40% protein, 43% polysaccharide, 3% aromatic-containing components, and up to 14% lipid. These fundamental chemical parameters are needed to consider the relationships between composition and function in the A. fumigatus ECM and will enable future comparisons with other organisms and with A. fumigatus grown under alternate conditions. PMID:26163318

  14. Discriminating poststroke depression from stroke by nuclear magnetic resonance spectroscopy-based metabonomic analysis.

    PubMed

    Xiao, Jianqi; Zhang, Jie; Sun, Dan; Wang, Lin; Yu, Lijun; Wu, Hongjing; Wang, Dan; Qiu, Xuerong

    2016-01-01

    Poststroke depression (PSD), the most common psychiatric disease that stroke survivors face, is estimated to affect ~30% of poststroke patients. However, there are still no objective methods to diagnose PSD. In this study, to explore the differential metabolites in the urine of PSD subjects and to identify a potential biomarker panel for PSD diagnosis, the nuclear magnetic resonance-based metabonomic method was applied. Ten differential metabolites responsible for discriminating PSD subjects from healthy control (HC) and stroke subjects were found, and five of these metabolites were identified as potential biomarkers (lactate, α-hydroxybutyrate, phenylalanine, formate, and arabinitol). The panel consisting of these five metabolites provided excellent performance in discriminating PSD subjects from HC and stroke subjects, achieving an area under the receiver operating characteristic curve of 0.946 in the training set (43 HC, 45 stroke, and 62 PSD subjects). Moreover, this panel could classify the blinded samples from the test set (31 HC, 33 stroke, and 32 PSD subjects) with an area under the curve of 0.946. These results laid a foundation for the future development of urine-based objective methods for PSD diagnosis and investigation of PSD pathogenesis.

  15. Analysis of the Aspergillus fumigatus Biofilm Extracellular Matrix by Solid-State Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Reichhardt, Courtney; Ferreira, Jose A G; Joubert, Lydia-Marie; Clemons, Karl V; Stevens, David A; Cegelski, Lynette

    2015-11-01

    Aspergillus fumigatus is commonly responsible for lethal fungal infections among immunosuppressed individuals. A. fumigatus forms biofilm communities that are of increasing biomedical interest due to the association of biofilms with chronic infections and their increased resistance to antifungal agents and host immune factors. Understanding the composition of microbial biofilms and the extracellular matrix is important to understanding function and, ultimately, to developing strategies to inhibit biofilm formation. We implemented a solid-state nuclear magnetic resonance (NMR) approach to define compositional parameters of the A. fumigatus extracellular matrix (ECM) when biofilms are formed in RPMI 1640 nutrient medium. Whole biofilm and isolated matrix networks were also characterized by electron microscopy, and matrix proteins were identified through protein gel analysis. The (13)C NMR results defined and quantified the carbon contributions in the insoluble ECM, including carbonyls, aromatic carbons, polysaccharide carbons (anomeric and nonanomerics), aliphatics, etc. Additional (15)N and (31)P NMR spectra permitted more specific annotation of the carbon pools according to C-N and C-P couplings. Together these data show that the A. fumigatus ECM produced under these growth conditions contains approximately 40% protein, 43% polysaccharide, 3% aromatic-containing components, and up to 14% lipid. These fundamental chemical parameters are needed to consider the relationships between composition and function in the A. fumigatus ECM and will enable future comparisons with other organisms and with A. fumigatus grown under alternate conditions.

  16. Changes in Human Meibum Lipid Composition with Age Using Nuclear Magnetic Resonance Spectroscopy

    PubMed Central

    Foulks, Gary N.; Yappert, Marta C.; Milliner, Sarah E.

    2012-01-01

    Purpose. Human tear film stability decreases with increasing age. In this study, the changes in meibum composition were measured in search of markers of tear film instability. Methods. 1H NMR nuclear magnetic resonance (NMR) spectra of 43 normal donors aged 1 to 88 years were acquired. Results. Compared with meibum from adolescents and adults, meibum from infants and children contains less CH3 and C═C groups and an increased aldehyde-to-lipid hydroperoxide ratio. Conclusions. It is reasonable that tear film stability is higher in infants than in adults. Their meibum contains less CH3 and C═C groups and higher levels of protein, and as a result, the lipid is more ordered because of the tighter and stronger lipid–lipid interactions. For water to evaporate, it must first pass through the tight lipid–lipid barrier. For tears to break up, lipid–lipid interactions must be broken. It is reasonable that because the lipid–lipid interactions are stronger in infants' and children's tears compared with those of adolescents and adults, the tear film in the younger groups is more stable and provides a better barrier to evaporation than does the tear film of adults. Lipid saturation could be the critical feature in meibum that stabilizes tears in infants. PMID:22169100

  17. Discriminating poststroke depression from stroke by nuclear magnetic resonance spectroscopy-based metabonomic analysis

    PubMed Central

    Xiao, Jianqi; Zhang, Jie; Sun, Dan; Wang, Lin; Yu, Lijun; Wu, Hongjing; Wang, Dan; Qiu, Xuerong

    2016-01-01

    Poststroke depression (PSD), the most common psychiatric disease that stroke survivors face, is estimated to affect ~30% of poststroke patients. However, there are still no objective methods to diagnose PSD. In this study, to explore the differential metabolites in the urine of PSD subjects and to identify a potential biomarker panel for PSD diagnosis, the nuclear magnetic resonance-based metabonomic method was applied. Ten differential metabolites responsible for discriminating PSD subjects from healthy control (HC) and stroke subjects were found, and five of these metabolites were identified as potential biomarkers (lactate, α-hydroxybutyrate, phenylalanine, formate, and arabinitol). The panel consisting of these five metabolites provided excellent performance in discriminating PSD subjects from HC and stroke subjects, achieving an area under the receiver operating characteristic curve of 0.946 in the training set (43 HC, 45 stroke, and 62 PSD subjects). Moreover, this panel could classify the blinded samples from the test set (31 HC, 33 stroke, and 32 PSD subjects) with an area under the curve of 0.946. These results laid a foundation for the future development of urine-based objective methods for PSD diagnosis and investigation of PSD pathogenesis. PMID:27536114

  18. Self-actuated nuclear reactor shutdown system using induction pump to facilitate sensing of core coolant temperature

    DOEpatents

    Sievers, Robert K.; Cooper, Martin H.; Tupper, Robert B.

    1987-01-01

    A self-actuated shutdown system incorporated into a reactivity control assembly in a nuclear reactor includes pumping means for creating an auxiliary downward flow of a portion of the heated coolant exiting from the fuel assemblies disposed adjacent to the control assembly. The shutdown system includes a hollow tubular member which extends through the outlet of the control assembly top nozzle so as to define an outer annular flow channel through the top nozzle outlet separate from an inner flow channel for primary coolant flow through the control assembly. Also, a latching mechanism is disposed in an inner duct of the control assembly and is operable for holding absorber bundles in a raised position in the control assembly and for releasing them to drop them into the core of the reactor for shutdown purposes. The latching mechanism has an inner flow passage extending between and in flow communication with the absorber bundles and the inner flow channel of the top nozzle for accommodating primary coolant flow upwardly through the control assembly. Also, an outer flow passage separate from the inner flow passage extends through the latching mechanism between and in flow communication with the inner duct and the outer flow channel of the top nozzle for accommodating inflow of a portion of the heated coolant from the adjacent fuel assemblies. The latching mechanism contains a magnetic material sensitive to temperature and operable to cause mating or latching together of the components of the latching mechanism when the temperature sensed is below a known temperature and unmating or unlatching thereof when the temperature sensed is above a given temperature. The temperature sensitive magnetic material is positioned in communication with the heated coolant flow through the outer flow passage for directly sensing the temperature thereof. Finally, the pumping means includes a jet induction pump nozzle and diffuser disposed adjacent the bottom nozzle of the control assembly

  19. Surface chemistry of group 11 atomic layer deposition precursors on silica using solid-state nuclear magnetic resonance spectroscopy.

    PubMed

    Pallister, Peter J; Barry, Seán T

    2017-02-07

    The use of chemical vapour deposition (CVD) and atomic layer deposition (ALD) as thin film deposition techniques has had a major impact on a number of fields. The deposition of pure, uniform, conformal thin films requires very specific vapour-solid reactivity that is largely unknown for the majority of ALD and CVD precursors. This work examines the initial chemisorption of several thin film vapour deposition precursors on high surface area silica (HSAS) using (13)C, (31)P, and quantitative (29)Si nuclear magnetic resonance spectroscopy (NMR). Two copper metal precursors, 1,3-diisopropyl-imidazolin-2-ylidene copper (I) hexamethyldisilazide (1) and 1,3-diethyl-imidazolin-2-ylidene copper(I) hexamethyldisilazide (2), and one gold metal precursor, trimethylphosphine gold(III) trimethyl (3), are examined. Compounds 1 and 2 were found to chemisorb at the hydroxyl surface-reactive sites to form a ||-O-Cu-NHC surface species and fully methylated silicon (||-SiMe3, due to reactivity of the hexamethyldisilazane (HMDS) ligand on the precursor) at 150 °C and 250 °C. From quantitative (29)Si solid-state NMR (SS-NMR) spectroscopy measurements, it was found that HMDS preferentially reacts at geminal disilanol surface sites while the copper surface species preferentially chemisorbed to lone silanol surface species. Additionally, the overall coverage was strongly dependent on temperature, with higher overall coverage of 1 at higher temperature but lower overall coverage of 2 at higher temperature. The chemisorption of 3 was found to produce a number of interesting surface species on HSAS. Gold(III) trimethylphosphine, reduced gold phosphine, methylated phosphoxides, and graphitic carbon were all observed as surface species. The overall coverage of 3 on HSAS was only about 10% at 100 °C and, like the copper compounds, had a preference for lone silanol surface reactive sites. The overall coverage and chemisorbed surface species have implications to the overall growth rate and

  20. A phytochemical comparison of saw palmetto products using gas chromatography and 1H nuclear magnetic resonance spectroscopy metabolomic profiling

    PubMed Central

    Booker, Anthony; Suter, Andy; Krnjic, Ana; Strassel, Brigitte; Zloh, Mire; Said, Mazlina; Heinrich, Michael

    2014-01-01

    Objectives Preparations containing saw palmetto berries are used in the treatment of benign prostatic hyperplasia (BPH). There are many products on the market, and relatively little is known about their chemical variability and specifically the composition and quality of different saw palmetto products notwithstanding that in 2000, an international consultation paper from the major urological associations from the five continents on treatments for BPH demanded further research on this topic. Here, we compare two analytical approaches and characterise 57 different saw palmetto products. Methods An established method – gas chromatography – was used for the quantification of nine fatty acids, while a novel approach of metabolomic profiling using 1H nuclear magnetic resonance (NMR) spectroscopy was used as a fingerprinting tool to assess the overall composition of the extracts. Key findings The phytochemical analysis determining the fatty acids showed a high level of heterogeneity of the different products in the total amount and of nine single fatty acids. A robust and reproducible 1H NMR spectroscopy method was established, and the results showed that it was possible to statistically differentiate between saw palmetto products that had been extracted under different conditions but not between products that used a similar extraction method. Principal component analysis was able to determine those products that had significantly different metabolites. Conclusions The metabolomic approach developed offers novel opportunities for quality control along the value chain of saw palmetto and needs to be followed further, as with this method, the complexity of a herbal extract can be better assessed than with the analysis of a single group of constituents. PMID:24417505

  1. Characterization of the AT180 epitope of phosphorylated Tau protein by a combined nuclear magnetic resonance and fluorescence spectroscopy approach

    SciTech Connect

    Amniai, Laziza; Lippens, Guy; Landrieu, Isabelle

    2011-09-09

    Highlights: {yields} pThr231 of the Tau protein is necessary for the binding of the AT180 antibody. {yields} pSer235 of the Tau protein does not interfere with the AT180 recognition of pThr231. {yields} Epitope mapping is efficiently achieved by combining NMR and FRET spectroscopy. -- Abstract: We present here the characterization of the epitope recognized by the AT180 monoclonal antibody currently used to define an Alzheimer's disease (AD)-related pathological form of the phosphorylated Tau protein. Some ambiguity remains as to the exact phospho-residue(s) recognized by this monoclonal: pThr231 or both pThr231 and pSer235. To answer this question, we have used a combination of nuclear magnetic resonance (NMR) and fluorescence spectroscopy to characterize in a qualitative and quantitative manner the phospho-residue(s) essential for the epitope recognition. Data from the first step of NMR experiments are used to map the residues bound by the antibodies, which were found to be limited to a few residues. A fluorophore is then chemically attached to a cystein residue introduced close-by the mapped epitope, at arginine 221, by mutagenesis of the recombinant protein. The second step of Foerster resonance energy transfer (FRET) between the AT180 antibody tryptophanes and the phospho-Tau protein fluorophore allows to calculate a dissociation constant Kd of 30 nM. We show that the sole pThr231 is necessary for the AT180 recognition of phospho-Tau and that phosphorylation of Ser235 does not interfere with the binding.

  2. Surface chemistry of group 11 atomic layer deposition precursors on silica using solid-state nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Pallister, Peter J.; Barry, Seán T.

    2017-02-01

    The use of chemical vapour deposition (CVD) and atomic layer deposition (ALD) as thin film deposition techniques has had a major impact on a number of fields. The deposition of pure, uniform, conformal thin films requires very specific vapour-solid reactivity that is largely unknown for the majority of ALD and CVD precursors. This work examines the initial chemisorption of several thin film vapour deposition precursors on high surface area silica (HSAS) using 13C, 31P, and quantitative 29Si nuclear magnetic resonance spectroscopy (NMR). Two copper metal precursors, 1,3-diisopropyl-imidazolin-2-ylidene copper (I) hexamethyldisilazide (1) and 1,3-diethyl-imidazolin-2-ylidene copper(I) hexamethyldisilazide (2), and one gold metal precursor, trimethylphosphine gold(III) trimethyl (3), are examined. Compounds 1 and 2 were found to chemisorb at the hydroxyl surface-reactive sites to form a ||-O-Cu-NHC surface species and fully methylated silicon (||-SiMe3, due to reactivity of the hexamethyldisilazane (HMDS) ligand on the precursor) at 150 °C and 250 °C. From quantitative 29Si solid-state NMR (SS-NMR) spectroscopy measurements, it was found that HMDS preferentially reacts at geminal disilanol surface sites while the copper surface species preferentially chemisorbed to lone silanol surface species. Additionally, the overall coverage was strongly dependent on temperature, with higher overall coverage of 1 at higher temperature but lower overall coverage of 2 at higher temperature. The chemisorption of 3 was found to produce a number of interesting surface species on HSAS. Gold(III) trimethylphosphine, reduced gold phosphine, methylated phosphoxides, and graphitic carbon were all observed as surface species. The overall coverage of 3 on HSAS was only about 10% at 100 °C and, like the copper compounds, had a preference for lone silanol surface reactive sites. The overall coverage and chemisorbed surface species have implications to the overall growth rate and purity of

  3. Lipopolysaccharide-bound structure of the antimicrobial peptide cecropin P1 determined by nuclear magnetic resonance spectroscopy.

    PubMed

    Baek, Mi-Hwa; Kamiya, Masakatsu; Kushibiki, Takahiro; Nakazumi, Taichi; Tomisawa, Satoshi; Abe, Chiharu; Kumaki, Yasuhiro; Kikukawa, Takashi; Demura, Makoto; Kawano, Keiichi; Aizawa, Tomoyasu

    2016-04-01

    Antimicrobial peptides (AMPs) are components of the innate immune system and may be potential alternatives to conventional antibiotics because they exhibit broad-spectrum antimicrobial activity. The AMP cecropin P1 (CP1), isolated from nematodes found in the stomachs of pigs, is known to exhibit antimicrobial activity against Gram-negative bacteria. In this study, we investigated the interaction between CP1 and lipopolysaccharide (LPS), which is the main component of the outer membrane of Gram-negative bacteria, using circular dichroism (CD) and nuclear magnetic resonance (NMR). CD results showed that CP1 formed an α-helical structure in a solution containing LPS. For NMR experiments, we expressed (15) N-labeled and (13) C-labeled CP1 in bacterial cells and successfully assigned almost all backbone and side-chain proton resonance peaks of CP1 in water for transferred nuclear Overhauser effect (Tr-NOE) experiments in LPS. We performed (15) N-edited and (13) C-edited Tr-NOE spectroscopy for CP1 bound to LPS. Tr-NOE peaks were observed at the only C-terminal region of CP1 in LPS. The results of structure calculation indicated that the C-terminal region (Lys15-Gly29) formed the well-defined α-helical structure in LPS. Finally, the docking study revealed that Lys15/Lys16 interacted with phosphate at glucosamine I via an electrostatic interaction and that Ile22/Ile26 was in close proximity with the acyl chain of lipid A.

  4. Natural abundance deuterium nuclear magnetic resonance spectroscopy: Study of the biosynthesis of monoterpenes

    SciTech Connect

    Leopold, M.F.

    1990-01-01

    Deuterium NMR spectroscopy at natural abundance (D NMR-na) is a new technique for exploring the biosynthesis of small molecules such as monoterpenes. The analysis of relative site-specific deuterium integration values is an effective means of measuring isotope effects, and examining the regio- and stereochemistry of biosynthetic reactions. The deuterium integration values of linalyl acetate and limonene isolated from the same source were consistent and showed that proton abstraction from the postulated {alpha}-terpinyl cation intermediate to form limonene is regioselective from the methyl derived from the Cs methyl of the precursor, geranyl diphosphate. This regiochemistry was observed in limonene samples from different sources and the measured primary kinetic isotope effect ranged from 0.25 to in excess of 100 (no deuterium was removed within experimental error). Various {alpha}- and {beta}-pinene samples were isolated and D NMR-na analysis showed evidence of isotopically sensitive partitioning of the pinylcation in the formation of these products. This spectral analysis supported published radiolabeling studies but did not require synthesis of substrates or enzyme purification. The formation of 3-carene occurs without isomerization of the double bond which was previously postulated. The olefinic deuterium of the bicyclic compound was traced to the depleted deuterium at C{sub 2} of isopentyl diphosphate by D NMR-na data and this supported unpublished radiolabeling studies. Study of irregular monoterpenes, chrysanthemyl acetate and lyratyl acetate, showed partitioning of dimethylallyl diphosphate (DMAPP) by chrysanthemyl cyclase. The {alpha}-secondary kinetic isotope effect of 1.06-1.12, obtained from relative deuterium integration values, suggested that S{sub N}1 ionization of one molecule of DMAPP is the first step in the condensation reaction.

  5. Characterization of the low-temperature triplet state of chlorophyll in photosystem II core complexes: Application of phosphorescence measurements and Fourier transform infrared spectroscopy.

    PubMed

    Zabelin, Alexey A; Neverov, Konstantin V; Krasnovsky, Alexander A; Shkuropatova, Valentina A; Shuvalov, Vladimir A; Shkuropatov, Anatoly Ya

    2016-06-01

    Phosphorescence measurements at 77 K and light-induced FTIR difference spectroscopy at 95 K were applied to study of the triplet state of chlorophyll a ((3)Chl) in photosystem II (PSII) core complexes isolated from spinach. Using both methods, (3)Chl was observed in the core preparations with doubly reduced primary quinone acceptor QA. The spectral parameters of Chl phosphorescence resemble those in the isolated PSII reaction centers (RCs). The main spectral maximum and the lifetime of the phosphorescence corresponded to 955±1 nm and of 1.65±0.05 ms respectively; in the excitation spectrum, the absorption maxima of all core complex pigments (Chl, pheophytin a (Pheo), and β-carotene) were observed. The differential signal at 1667(-)/1628(+)cm(-1) reflecting a downshift of the stretching frequency of the 13(1)-keto C=O group of Chl was found to dominate in the triplet-minus-singlet FTIR difference spectrum of core complexes. Based on FTIR results and literature data, it is proposed that (3)Chl is mostly localized on the accessory chlorophyll that is in triplet equilibrium with P680. Analysis of the data suggests that the Chl triplet state responsible for the phosphorescence and the FTIR difference spectrum is mainly generated due to charge recombination in the reaction center radical pair P680(+)PheoD1(-), and the energy and temporal parameters of this triplet state as well as the molecular environment and interactions of the triplet-bearing Chl molecule are similar in the PSII core complexes and isolated PSII RCs.

  6. First-principles core-level X-ray photoelectron spectroscopy calculation on arsenic defects in silicon crystal

    SciTech Connect

    Kishi, Hiroki; Miyazawa, Miki; Matsushima, Naoki; Yamauchi, Jun

    2014-02-21

    We investigate the X-ray photoelectron spectroscopy (XPS) binding energies of As 3d in Si for various defects in neutral and charged states by first-principles calculation. It is found that the complexes of a substitutional As and a vacancy in charged and neutral states explain the experimentally observed unknown peak very well.

  7. sp2/sp3 hybridization ratio in amorphous carbon from C 1s core-level shifts: X-ray photoelectron spectroscopy and first-principles calculation

    NASA Astrophysics Data System (ADS)

    Haerle, Rainer; Riedo, Elisa; Pasquarello, Alfredo; Baldereschi, Alfonso

    2002-01-01

    Using a combined experimental and theoretical approach, we address C 1s core-level shifts in amorphous carbon. Experimental results are obtained by x-ray photoelectron spectroscopy (XPS) and electron-energy-loss spectroscopy (EELS) on thin-film samples of different atomic density, obtained by a pulsed-laser deposition growth process. The XPS spectra are deconvoluted into two contributions, which are attributed to sp2- and sp3-hybridized atoms, respectively, separated by 0.9 eV, independent of atomic density. The sp3 hybridization content extracted from XPS is consistent with the atomic density derived from the plasmon energy in the EELS spectrum. In our theoretical study, we generate several periodic model structures of amorphous carbon of different densities applying two schemes of increasing accuracy in sequence. We first use a molecular-dynamics approach, based on an environmental-dependent tight-binding Hamiltonian to quench the systems from the liquid phase. The final model structures are then obtained by further atomic relaxation using a first-principles pseudopotential plane-wave approach within density-functional theory. Within the latter framework, we also calculate carbon 1s core-level shifts for our disordered model structures. We find that the shifts associated to threefold- and fourfold- coordinated carbon atoms give rise to two distinct peaks separated by about 1.0 eV, independent of density, in close agreement with experimental observations. This provides strong support for decomposing the XPS spectra into two peaks resulting from sp2- and sp3-hybridized atoms. Core-hole relaxations effects account for about 30% of the calculated shifts.

  8. Kinetic and equilibrium constants of phytic acid and ferric and ferrous phytate derived from nuclear magnetic resonance spectroscopy.

    PubMed

    Heighton, Lynne; Schmidt, Walter F; Siefert, Ronald L

    2008-10-22

    Inositol phosphates are metabolically derived organic phosphates (P) that increasingly appear to be an important sink and source of P in the environment. Salts of myo-inositol hexakisdihydrogen phosphate (IHP) or more commonly phytate are the most common inositol phosphates in the environment. IHP resists acidic dephosphorylation and enzymatic dephosphorylation as ferric or ferrous IHP. Mobility of IHP iron complexes is potentially pH and redox responsive, making the time scale and environmental fate and transport of the P associated with the IHP of interest to the mass balance of phosphorus. Ferric and ferrous complexes of IHP were investigated by proton nuclear magnetic resonance spectroscopy ( (1)H NMR) and enzymatic dephosphorylation. Ferrous IHP was found to form quickly and persist for a longer period then ferric IHP. Dissociation constants derived from (1)H NMR experiments of chemically exchanging systems at equilibrium were 1.11 and 1.19 and formation constants were 0.90 and 0.84 for ferric and ferrous IHP, respectively. The recovery of P from enzymatic dephosphorylation of ferric and ferrous IHP was consistent with the magnitude of the kinetic and equilibrium rate constants.

  9. Energy contribution of octanoate to intact rat brain metabolism measured by 13C nuclear magnetic resonance spectroscopy.

    PubMed

    Ebert, Douglas; Haller, Ronald G; Walton, Marlei E

    2003-07-02

    Glucose is the dominant oxidative fuel for brain, but studies have indicated that fatty acids are used by brain as well. We postulated that fatty acid oxidation in brain could contribute significantly to overall energy usage and account for non-glucose-derived energy production. [2,4,6,8-13C4]octanoate oxidation in intact rats was determined by nuclear magnetic resonance spectroscopy. We found that oxidation of 13C-octanoate in brain is avid and contributes approximately 20% to total brain oxidative energy production. Labeling patterns of glutamate and glutamine were distinct, and analysis of these metabolites indicated compartmentalized oxidation of octanoate in brain. Examination of liver and blood spectra revealed that label from 13C-octanoate was incorporated into glucose and ketones, which enabled calculation of its overall energy contribution to brain metabolism: glucose (predominantly unlabeled) and 13C-labeled octanoate can account for the entire oxidative metabolism of brain. Additionally, flux through anaplerotic pathways relative to tricarboxylic acid cycle flux (Y) was calculated to be 0.08 +/- 0.039 in brain, indicating that anaplerotic flux is significant and should be considered when assessing brain metabolism. Y was associated with the glutamine synthesis compartment, consistent with the view that anaplerotic flux occurs primarily in astrocytes.

  10. Direct Observation of an Iron-Bound Terminal Hydride in [FeFe]-Hydrogenase by Nuclear Resonance Vibrational Spectroscopy.

    PubMed

    Reijerse, Edward J; Pham, Cindy C; Pelmenschikov, Vladimir; Gilbert-Wilson, Ryan; Adamska-Venkatesh, Agnieszka; Siebel, Judith F; Gee, Leland B; Yoda, Yoshitaka; Tamasaku, Kenji; Lubitz, Wolfgang; Rauchfuss, Thomas B; Cramer, Stephen P

    2017-03-29

    [FeFe]-hydrogenases catalyze the reversible reduction of protons to molecular hydrogen with extremely high efficiency. The active site ("H-cluster") consists of a [4Fe-4S]H cluster linked through a bridging cysteine to a [2Fe]H subsite coordinated by CN(-) and CO ligands featuring a dithiol-amine moiety that serves as proton shuttle between the protein proton channel and the catalytic distal iron site (Fed). Although there is broad consensus that an iron-bound terminal hydride species must occur in the catalytic mechanism, such a species has never been directly observed experimentally. Here, we present FTIR and nuclear resonance vibrational spectroscopy (NRVS) experiments in conjunction with density functional theory (DFT) calculations on an [FeFe]-hydrogenase variant lacking the amine proton shuttle which is stabilizing a putative hydride state. The NRVS spectra unequivocally show the bending modes of the terminal Fe-H species fully consistent with widely accepted models of the catalytic cycle.

  11. Estimates of Oil and Gas Potential of Source Rock by 13C Nuclear Magnetic Resonance (NMR) Spectroscopy

    NASA Astrophysics Data System (ADS)

    Longbottom, T. L.; Hockaday, W. C.; Boling, K. S.; Dworkin, S. I.

    2014-12-01

    Kerogen is defined as the insoluble fraction of organic matter preserved in sediments. Due to its structural complexity, kerogen is poorly understood, yet it holds vast economic importance as petroleum source rock, and represents the largest organic carbon pool on earth. Kerogen originates from a mixture of organic biomolecules and tends to be dominated by the polymeric components of cell walls and cellular membranes, which undergo interactions with sedimentary minerals at elevated temperature and pressure upon burial. Due to the importance of burial diagenesis to petroleum formation, much of our knowledge of chemical properties of kerogens is related to diagenetic and catagenetic effects. The more common geochemical evaluations of the oil and gas potentials of source rock are based upon proximate analyses such as hydrogen and oxygen indices and thermal stability indices, such as those provided by Fisher assay and Rock Eval®. However, proximate analyses provide limited information regarding the chemical structure of kerogens, and therefore provide little insight to the processes of kerogen formation. NMR spectra of kerogen have been previously shown to be useful in estimating oil and gas potential, and the proposed study seeks to refine nuclear magnetic resonance spectroscopy as a tool in kerogen characterization, specifically for the purpose of oil and gas potential calculations.

  12. Dynamics of water-alcohol mixtures: Insights from nuclear magnetic resonance, broadband dielectric spectroscopy, and triplet solvation dynamics

    SciTech Connect

    Sauer, D.; Schuster, B.; Rosenstihl, M.; Schneider, S.; Blochowicz, T.; Stühn, B.; Vogel, M.; Talluto, V.; Walther, T.

    2014-03-21

    We combine {sup 2}H nuclear magnetic resonance (NMR), broadband dielectric spectroscopy (BDS), and triplet solvation dynamics (TSD) to investigate molecular dynamics in glass-forming mixtures of water and propylene glycol in very broad time and temperature ranges. All methods yield consistent results for the α process of the studied mixtures, which hardly depends on the composition and shows Vogel-Fulcher temperature dependence as well as Cole-Davidson spectral shape. The good agreement between BDS and TDS data reveals that preferential solvation of dye molecules in microheterogeneous mixtures does not play an important role. Below the glass transition temperature T{sub g}, NMR and BDS studies reveal that the β process of the mixtures shows correlation times, which depend on the water concentration, but exhibit a common temperature dependence, obeying an Arrhenius law with an activation energy of E{sub a} = 0.54  eV, as previously reported for mixtures of water with various molecular species. Detailed comparison of NMR and BDS correlation functions for the β process unravels that the former decay faster and more stretched than the latter. Moreover, the present NMR data imply that propylene glycol participates in the β process and, hence, it is not a pure water process, and that the mechanism for molecular dynamics underlying the β process differs in mixtures of water with small and large molecules.

  13. 33S nuclear magnetic resonance spectroscopy of biological samples obtained with a laboratory model 33S cryogenic probe.

    PubMed

    Hobo, Fumio; Takahashi, Masato; Saito, Yuta; Sato, Naoki; Takao, Tomoaki; Koshiba, Seizo; Maeda, Hideaki

    2010-05-01

    (33)S nuclear magnetic resonance (NMR) spectroscopy is limited by inherently low NMR sensitivity because of the quadrupolar moment and low gyromagnetic ratio of the (33)S nucleus. We have developed a 10 mm (33)S cryogenic NMR probe, which is operated at 9-26 K with a cold preamplifier and a cold rf switch operated at 60 K. The (33)S NMR sensitivity of the cryogenic probe is as large as 9.8 times that of a conventional 5 mm broadband NMR probe. The (33)S cryogenic probe was applied to biological samples such as human urine, bile, chondroitin sulfate, and scallop tissue. We demonstrated that the system can detect and determine sulfur compounds having SO(4)(2-) anions and -SO(3)(-) groups using the (33)S cryogenic probe, as the (33)S nuclei in these groups are in highly symmetric environments. The NMR signals for other common sulfur compounds such as cysteine are still undetectable by the (33)S cryogenic probe, as the (33)S nuclei in these compounds are in asymmetric environments. If we shorten the rf pulse width or decrease the rf coil diameter, we should be able to detect the NMR signals for these compounds.

  14. Characterization of the AT180 epitope of phosphorylated Tau protein by a combined nuclear magnetic resonance and fluorescence spectroscopy approach.

    PubMed

    Amniai, Laziza; Lippens, Guy; Landrieu, Isabelle

    2011-09-09

    We present here the characterization of the epitope recognized by the AT180 monoclonal antibody currently used to define an Alzheimer's disease (AD)-related pathological form of the phosphorylated Tau protein. Some ambiguity remains as to the exact phospho-residue(s) recognized by this monoclonal: pThr231 or both pThr231 and pSer235. To answer this question, we have used a combination of nuclear magnetic resonance (NMR) and fluorescence spectroscopy to characterize in a qualitative and quantitative manner the phospho-residue(s) essential for the epitope recognition. Data from the first step of NMR experiments are used to map the residues bound by the antibodies, which were found to be limited to a few residues. A fluorophore is then chemically attached to a cystein residue introduced close-by the mapped epitope, at arginine 221, by mutagenesis of the recombinant protein. The second step of Förster resonance energy transfer (FRET) between the AT180 antibody tryptophanes and the phospho-Tau protein fluorophore allows to calculate a dissociation constant Kd of 30 nM. We show that the sole pThr231 is necessary for the AT180 recognition of phospho-Tau and that phosphorylation of Ser235 does not interfere with the binding.

  15. Proton Nuclear Magnetic Resonance Spectroscopy as a Technique for Gentamicin Drug Susceptibility Studies with Escherichia coli ATCC 25922

    PubMed Central

    García-Álvarez, Lara; Busto, Jesús H.; Avenoza, Alberto; Sáenz, Yolanda; Peregrina, Jesús Manuel

    2015-01-01

    Antimicrobial drug susceptibility tests involving multiple time-consuming steps are still used as reference methods. Today, there is a need for the development of new automated instruments that can provide faster results and reduce operating time, reagent costs, and labor requirements. Nuclear magnetic resonance (NMR) spectroscopy meets those requirements. The metabolism and antimicrobial susceptibility of Escherichia coli ATCC 25922 in the presence of gentamicin have been analyzed using NMR and compared with a reference method. Direct incubation of the bacteria (with and without gentamicin) into the NMR tube has also been performed, and differences in the NMR spectra were obtained. The MIC, determined by the reference method found in this study, would correspond with the termination of the bacterial metabolism observed with NMR. Experiments carried out directly into the NMR tube enabled the development of antimicrobial drug susceptibility tests to assess the effectiveness of the antibiotic. NMR is an objective and reproducible method for showing the effects of a drug on the subject bacterium and can emerge as an excellent tool for studying bacterial activity in the presence of different antibiotic concentrations. PMID:25972417

  16. Direct and simultaneous quantification of ATP, ADP and AMP by (1)H and (31)P Nuclear Magnetic Resonance spectroscopy.

    PubMed

    Lian, Yakun; Jiang, Hua; Feng, Jinzhou; Wang, Xiaoyan; Hou, Xiandeng; Deng, Pengchi

    2016-04-01

    ATP, ADP and AMP are energy substances with vital biological significance. Based on the structural differences, a simple, rapid and comprehensive method has been established by (1)H and (31)P Nuclear Magnetic Resonance ((1)H-NMR and (31)P-NMR) spectroscopies. Sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 (TMSP) and anhydrous disodium hydrogen phosphate (Na2HPO4) were selected as internal standards for (1)H-NMR and (31)P-NMR, respectively. Those three compounds and corresponding internal standards can be easily distinguished both by (1)H-NMR and (31)P-NMR. In addition, they all have perfect linearity in a certain range: 0.1-100mM for (1)H-NMR and 1-75 mM for (31)P-NMR. To validate the precision of this method, mixed samples of different concentrations were measured. Recovery experiments were conducted in serum (91-113% by (1)H-NMR and 89-113% by (31)P-NMR).

  17. Frequency-comb referenced collinear laser spectroscopy of Be+ for nuclear structure investigations and many-body QED tests

    NASA Astrophysics Data System (ADS)

    Krieger, A.; Nörtershäuser, W.; Geppert, Ch.; Blaum, K.; Bissell, M. L.; Frömmgen, N.; Hammen, M.; Kreim, K.; Kowalska, M.; Krämer, J.; Neugart, R.; Neyens, G.; Sánchez, R.; Tiedemann, D.; Yordanov, D. T.; Zakova, M.

    2017-01-01

    Transition frequencies of the 2s ^2{{S}}_{1/2} → 2p ^2 {{P}}_{1/2, 3/2} transitions in Be^+ were measured in stable and short-lived isotopes at ISOLDE (CERN) using collinear laser spectroscopy and frequency-comb-referenced dye lasers. Quasi-simultaneous measurements in copropagating and counterpropagating geometry were performed to become independent from acceleration voltage determinations for Doppler-shift corrections of the fast ion beam. Isotope shifts and fine-structure splittings were obtained from the transition frequencies measured with a frequency comb with accuracies better than 1 MHz and led to a precise determination of the nuclear charge radii of ^{7,10-12}Be relative to the stable isotope 9Be. Moreover, an accurate determination of the 2 p fine-structure splitting allowed a test of high-precision bound-state QED calculations in the three-electron system. Here, we describe the laser spectroscopic method in detail, including several tests that were carried out to determine or estimate systematic uncertainties. Final values from two experimental runs at ISOLDE are presented, and the results are discussed.

  18. Dynamics of water-alcohol mixtures: Insights from nuclear magnetic resonance, broadband dielectric spectroscopy, and triplet solvation dynamics

    NASA Astrophysics Data System (ADS)

    Sauer, D.; Schuster, B.; Rosenstihl, M.; Schneider, S.; Talluto, V.; Walther, T.; Blochowicz, T.; Stühn, B.; Vogel, M.

    2014-03-01

    We combine 2H nuclear magnetic resonance (NMR), broadband dielectric spectroscopy (BDS), and triplet solvation dynamics (TSD) to investigate molecular dynamics in glass-forming mixtures of water and propylene glycol in very broad time and temperature ranges. All methods yield consistent results for the α process of the studied mixtures, which hardly depends on the composition and shows Vogel-Fulcher temperature dependence as well as Cole-Davidson spectral shape. The good agreement between BDS and TDS data reveals that preferential solvation of dye molecules in microheterogeneous mixtures does not play an important role. Below the glass transition temperature Tg, NMR and BDS studies reveal that the β process of the mixtures shows correlation times, which depend on the water concentration, but exhibit a common temperature dependence, obeying an Arrhenius law with an activation energy of Ea = 0.54 eV, as previously reported for mixtures of water with various molecular species. Detailed comparison of NMR and BDS correlation functions for the β process unravels that the former decay faster and more stretched than the latter. Moreover, the present NMR data imply that propylene glycol participates in the β process and, hence, it is not a pure water process, and that the mechanism for molecular dynamics underlying the β process differs in mixtures of water with small and large molecules.

  19. Structural studies on Desulfovibrio gigas cytochrome c3 by two-dimensional 1H-nuclear-magnetic-resonance spectroscopy.

    PubMed Central

    Piçarra-Pereira, M A; Turner, D L; LeGall, J; Xavier, A V

    1993-01-01

    Several aromatic amino acid residues and haem resonances in the fully reduced form of Desulfovibrio gigas cytochrome c3 are assigned, using two-dimensional 1H n.m.r., on the basis of the interactions between the protons of the aromatic amino acids and the haem protons as well as the intrahaem distances known from the X-ray structure [Kissinger (1989) Ph.D. Thesis, Washington State University]. The interhaem interactions observed in the n.m.r. spectra are in full agreement with the D. gigas X-ray structure and also with the n.m.r. data from Desulfovibrio vulgaris (Hildenborough) [Turner, Salgueiro, LeGall and Xavier (1992) Eur. J. Biochem. 210, 931-936]. The good correlation between the calculated ring-current shifts and the observed chemical shifts strongly supports the present assignments. Observation of the two-dimensional nuclear-Overhauser-enhancement spectra of the protein in the reduced, intermediate and fully oxidized stages led to the ordering of the haems in terms of their midpoint redox potentials and their identification in the X-ray structure. The first haem to oxidize is haem I, followed by haems II, III and IV, numbered according to the Cys ligand positions in the amino acid sequences [Mathews (1985) Prog. Biophys. Mol. Biol. 54, 1-56]. Although the haem core architecture is the same for the different Desulfovibrio cytochromes c3, the order of redox potentials is different. PMID:8397514

  20. Structural studies on Desulfovibrio gigas cytochrome c3 by two-dimensional 1H-nuclear-magnetic-resonance spectroscopy.

    PubMed

    Piçarra-Pereira, M A; Turner, D L; LeGall, J; Xavier, A V

    1993-09-15

    Several aromatic amino acid residues and haem resonances in the fully reduced form of Desulfovibrio gigas cytochrome c3 are assigned, using two-dimensional 1H n.m.r., on the basis of the interactions between the protons of the aromatic amino acids and the haem protons as well as the intrahaem distances known from the X-ray structure [Kissinger (1989) Ph.D. Thesis, Washington State University]. The interhaem interactions observed in the n.m.r. spectra are in full agreement with the D. gigas X-ray structure and also with the n.m.r. data from Desulfovibrio vulgaris (Hildenborough) [Turner, Salgueiro, LeGall and Xavier (1992) Eur. J. Biochem. 210, 931-936]. The good correlation between the calculated ring-current shifts and the observed chemical shifts strongly supports the present assignments. Observation of the two-dimensional nuclear-Overhauser-enhancement spectra of the protein in the reduced, intermediate and fully oxidized stages led to the ordering of the haems in terms of their midpoint redox potentials and their identification in the X-ray structure. The first haem to oxidize is haem I, followed by haems II, III and IV, numbered according to the Cys ligand positions in the amino acid sequences [Mathews (1985) Prog. Biophys. Mol. Biol. 54, 1-56]. Although the haem core architecture is the same for the different Desulfovibrio cytochromes c3, the order of redox potentials is different.

  1. The Role of High-Resolution Magic Angle Spinning 1H Nuclear Magnetic Resonance Spectroscopy for Predicting the Invasive Component in Patients with Ductal Carcinoma In Situ Diagnosed on Preoperative Biopsy

    PubMed Central

    Chae, Eun Young; Kim, Suhkmann; Baek, Hyeon-Man; Yoon, Dahye; Kim, Siwon; Shim, Ye Eun; Kim, Hak Hee; Cha, Joo Hee; Choi, Woo Jung; Lee, Jeong Hyun; Shin, Ji Hoon; Lee, Hee Jin; Gong, Gyungyub

    2016-01-01

    The purpose of this study was to evaluate the role of high-resolution magic angle spinning (HR-MAS) 1H nuclear magnetic resonance (NMR) spectroscopy in patients with ductal carcinoma in situ (DCIS) diagnosed on preoperative biopsy. We investigated whether the metabolic profiling of tissue samples using HR-MAS 1H NMR spectroscopy could be used to distinguish between DCIS lesions with or without an invasive component. Our institutional review board approved this combined retrospective and prospective study. Tissue samples were collected from 30 patients with pure DCIS and from 30 with DCIS accompanying invasive carcinoma. All patients were diagnosed with DCIS by preoperative core-needle biopsy and underwent surgical resection. The metabolic profiling of tissue samples was performed by HR-MAS 1H NMR spectroscopy. All observable metabolite signals were identified and quantified in all tissue samples. Metabolite intensity normalized by total spectral intensities was compared according to the tumor type using the Mann-Whitney test. Multivariate analysis was performed with orthogonal projections to latent structure-discriminant analysis (OPLS-DA). By univariate analysis, the metabolite concentrations of choline-containing compounds obtained with HR-MAS 1H NMR spectroscopy did not differ significantly between the pure DCIS and DCIS accompanying invasive carcinoma groups. However, the GPC/PC ratio was higher in the pure DCIS group than in the DCIS accompanying invasive carcinoma group (p = 0.004, Bonferroni-corrected p = 0.064), as well as the concentration of myo-inositol and succinate. By multivariate analysis, the OPLS-DA models built with HR-MAS MR metabolic profiles could clearly discriminate between pure DCIS and DCIS accompanying invasive carcinoma. Our preliminary results suggest that HR-MAS MR metabolomics on breast tissue may be able to distinguish between DCIS lesions with or without an invasive component. PMID:27560937

  2. Explosions in Real-Time: Ultra-Rapid UV Flash Spectroscopy of Infant Core-Collapse Supernovae

    NASA Astrophysics Data System (ADS)

    Gal-Yam, Avishay

    2014-10-01

    Recent advances in transient survey hardware, computing and operations now allow real-time alerts and rapid follow-up spectroscopy of supernovae (SNe) within hours of explosion. The spectra at such early times are a new scientific territory; the first handful of exploratory cases show that optical spectra of massive star Type II SN explosions are dominated by high-ionization recombination lines from circumstellar material ionized by the SN shock-breakout flash ("flash spectroscopy"). UV spectroscopy of infant SN explosions at such early times offers compelling science: a unique insight into the first hours of the explosion, a way to determine the initial metallicity and surface composition of the exploding star (reflected in CSM abundances) as well as a probe of the final year of mass loss leading to the terminal SN event, tracing the final stages of pre-explosion stellar evolution. This is only possible with HST in ultra-rapid ToO mode. Here we propose to undertake such a study of a single, carefully selected SN in cycle 22. This proposal can lead to yet another signature achievement by Hubble.

  3. Study of neutral hydrogen transport in LHD core plasmas based on high dynamic-range Balmer-α spectroscopy

    NASA Astrophysics Data System (ADS)

    Fujii, K.; Goto, M.; Morita, S.; The LHD Experiment Group

    2015-06-01

    The radial distributions of the neutral hydrogen atom density and pressure in the large helical device (LHD) and their electron density (ne) dependence were studied. The atom density distribution was determined from a detailed analysis of the intensity-calibrated Balmer-α line profile while the pressure distribution was obtained with a simple one-dimensional analytical model. We determined for the first time the atom density at the centre of a fusion-oriented plasma, which is more than three orders smaller than that at the edge. On the contrary, the atom pressure changes only by a factor of 10 from the edge to core regions. Both the atom density and pressure in the core region have negative ne dependence. The smaller drop of the atom pressure profile and the ne dependence of the atom density were discussed based on the diffusion theory.

  4. Eddy current position indicating apparatus for measuring displacements of core components of a liquid metal nuclear reactor

    DOEpatents

    Day, Clifford K.; Stringer, James L.

    1977-01-01

    Apparatus for measuring displacements of core components of a liquid metal fast breeder reactor by means of an eddy current probe. The active portion of the probe is located within a dry thimble which is supported on a stationary portion of the reactor core support structure. Split rings of metal, having a resistivity significantly different than sodium, are fixedly mounted on the core component to be monitored. The split rings are slidably positioned around, concentric with the probe and symmetrically situated along the axis of the probe so that motion of the ring along the axis of the probe produces a proportional change in the probes electrical output.

  5. Magnetic core/shell Fe3O4/Au nanoparticles for studies of quinolones binding to protein by fluorescence spectroscopy.

    PubMed

    Jin, Rui; Song, Daqian; Xiong, Huixia; Ai, Lisha; Ma, Pinyi; Sun, Ying

    2016-03-01

    Magnetic core/shell Fe3O4/Au nanoparticles were used in the determination of drug binding to bovine serum albumin (BSA) using a fluorescence spectroscopic method. The binding constants and number of binding sites for protein with drugs were calculated using the Scatchard equation. Because of their superparamagnetic and biocompatible characteristics, magnetic core/shell Fe3O4/Au nanoparticles served as carrier proteins for fixing proteins. After binding of the protein to a drug, the magnetic core/shell Fe3O4/Au nanoparticles-protein-drug complex was separated from the free drug using an applied magnetic field. The free drug concentration was obtained directly by fluorescence spectrometry and the proteins did not influence the drug determination. So, the achieved number of binding sites should be reliable. The binding constant and site number for ciprofloxacin (CPFX) binding to BSA were 2.055 × 10(5) L/mol and 31.7, and the corresponding values for norfloxacin (NOR) binding to BSA were 1.383 × 10(5) L/mol and 38.8. Based on the achieved results, a suitable method was proposed for the determination of binding constants and the site number for molecular interactions. The method was especially suitable for studies on the interactions of serum albumin with the active ingredients of Chinese medicine.

  6. Structural characterization and molecular order of rodlike mesogens with three- and four-ring core by XRD and 13C NMR spectroscopy.

    PubMed

    Reddy, M Kesava; Reddy, K Subramanyam; Yoga, K; Prakash, M; Narasimhaswamy, T; Mandal, A B; Lobo, Nitin P; Ramanathan, K V; Rao, D S Shankar; Prasad, S Krishna

    2013-05-09

    Structural characterizations using XRD and (13)C NMR spectroscopy of two rodlike mesogens consisting of (i) three phenyl ring core with a polar cyano terminal and (ii) four phenyl ring core with flexible dodecyl terminal chain are presented. The three-ring-core mesogen with cyano terminal exhibits enantiotropic smectic A phase while the four-ring mesogen reveals polymesomorphism and shows enantiotropic nematic, smectic C, and tilted hexatic phases. The molecular organization in the three-ring mesogen is found to be partial bilayer smectic Ad type, and the interdigitation of the molecules in the neighboring layers is attributed to the presence of the polar terminal group. For the four-ring mesogen, the XRD results confirm the existence of the smectic C and the tilted hexatic mesophases. A thermal variation of the layer spacing across the smectic C phase followed by a discrete jump at the transition to the tilted hexatic phase is also observed. The tilt angles have been estimated to be about 45° in the smectic C phase and about 40° in tilted hexatic phase. (13)C NMR results indicate that in the mesophase the molecules are aligned parallel to the magnetic field. From the (13)C-(1)H dipolar couplings determined from the 2D experiments, the overall order parameter for the three-ring mesogen in its smectic A phase has been estimated to be 0.72 while values ranging from 0.88 to 0.44 have been obtained for the four-ring mesogen as it passes from the tilted hexatic to the nematic phase. The orientations of the different rings of the core unit with respect to each other and also with respect to the long axis of the molecule have also been obtained.

  7. Resonant core spectroscopies of the charge transfer interactions between C60 and the surfaces of Au(111), Ag(111), Cu(111) and Pt(111)

    NASA Astrophysics Data System (ADS)

    Gibson, Andrew J.; Temperton, Robert H.; Handrup, Karsten; O'Shea, James N.

    2017-03-01

    Charge transfer interactions between C60 and the metal surfaces of Ag(111), Cu(111), Au(111) and Pt(111) have been studied using synchrotron-based photoemission, resonant photoemission and X-ray absorption spectroscopies. By placing the X-ray absorption and valence band spectra on a common binding energy scale, the energetic overlap of the unoccupied molecular orbitals with the density of states of the underlying metal surface have been assessed in the context of possible charge transfer pathways. Resonant photoemission and resonant Auger data, measuring the valence region as a function of photon energy for C60 adsorbed on Au(111) reveals three constant high kinetic energy features associated with Auger-like core-hole decay involving an electron transferred from the surface to the LUMO of the molecule and electrons from the three highest occupied molecular orbitals, respectively and in the presence of ultra-fast charge transfer of the originally photoexcited molecule to the surface. Data for the C60/Ag(111) surface reveals an additional Auger-like feature arising from a core-hole decay process involving more than one electron transferred from the surface into the LUMO. An analysis of the relative abundance of these core-hole decay channels estimates that on average 2.4 ± 0.3 electrons are transferred from the Ag(111) surface into the LUMO. A core-hole clock analysis has also been applied to assess the charge transfer coupling in the other direction, from the molecule to the Au(111) and Ag(111) surfaces. Resonant photoemission and resonant Auger data for C60 molecules adsorbed on the Pt(111) and Cu(111) surfaces are shown to exhibit no super-Auger features, which is attributed to the strong modification of the unoccupied molecular orbitals arising from stronger chemical coupling of the molecule to the surface.

  8. Non-destructive Analysis of Oil-Contaminated Soil Core Samples by X-ray Computed Tomography and Low-Field Nuclear Magnetic Resonance Relaxometry: a Case Study.

    PubMed

    Nakashima, Yoshito; Mitsuhata, Yuji; Nishiwaki, Junko; Kawabe, Yoshishige; Utsuzawa, Shin; Jinguuji, Motoharu

    2011-01-01

    Non-destructive measurements of contaminated soil core samples are desirable prior to destructive measurements because they allow obtaining gross information from the core samples without touching harmful chemical species. Medical X-ray computed tomography (CT) and time-domain low-field nuclear magnetic resonance (NMR) relaxometry were applied to non-destructive measurements of sandy soil core samples from a real site contaminated with heavy oil. The medical CT visualized the spatial distribution of the bulk density averaged over the voxel of 0.31 × 0.31 × 2 mm(3). The obtained CT images clearly showed an increase in the bulk density with increasing depth. Coupled analysis with in situ time-domain reflectometry logging suggests that this increase is derived from an increase in the water volume fraction of soils with depth (i.e., unsaturated to saturated transition). This was confirmed by supplementary analysis using high-resolution micro-focus X-ray CT at a resolution of ∼10 μm, which directly imaged the increase in pore water with depth. NMR transverse relaxation waveforms of protons were acquired non-destructively at 2.7 MHz by the Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence. The nature of viscous petroleum molecules having short transverse relaxation times (T2) compared to water molecules enabled us to distinguish the water-saturated portion from the oil-contaminated portion in the core sample using an M(0)-T2 plot, where M(0) is the initial amplitude of the CPMG signal. The present study demonstrates that non-destructive core measurements by medical X-ray CT and low-field NMR provide information on the groundwater saturation level and oil-contaminated intervals, which is useful for constructing an adequate plan for subsequent destructive laboratory measurements of cores.

  9. Forces in bolted joints: analysis methods and test results utilized for nuclear core applications (LWBR Development Program)

    SciTech Connect

    Crescimanno, P.J.; Keller, K.L.

    1981-03-01

    Analytical methods and test data employed in the core design of bolted joints for the LWBR core are presented. The effects of external working loads, thermal expansion, and material stress relaxation are considered in the formulation developed to analyze joint performance. Extensions of these methods are also provided for bolted joints having both axial and bending flexibilities, and for the effect of plastic deformation on internal forces developed in a bolted joint. Design applications are illustrated by examples.

  10. Distribution of radionuclides in a marine sediment core off the waterspout of the nuclear power plants in Daya Bay, northeastern South China Sea.

    PubMed

    Zhou, Peng; Li, Dongmei; Li, Haitao; Fang, Hongda; Huang, Chuguang; Zhang, Yusheng; Zhang, Hongbiao; Zhao, Li; Zhou, Junjie; Wang, Hua; Yang, Jie

    2015-07-01

    A sediment core was collected and dated using (210)Pbex dating method off the waterspout of nuclear power base of Daya Bay, northeastern South China Sea. The γ-emitting radionuclides were analyzed using HPGe γ spectrometry, gross alpha and beta radioactivity as well as other geochemical indicators were deliberated to assess the impact of nuclear power plants (NPP) operation and to study the past environment changes. It suggested that NPP provided no new radioactivity source to sediment based on the low specific activity of (137)Cs. Two broad peaks of TOC, TC and LOI accorded well with the commercial operations of Daya Bay NPP (1994.2 and 1994.5) and LNPP Phase I (2002.5 and 2003.3), implying that the mass input of cooling water from NPP may result into a substantial change in the ecological environment and Daya Bay has been severely impacted by human activities.

  11. Advanced Paramagnetic Resonance Spectroscopies of Iron-Sulfur Proteins: Electron Nuclear Double Resonance (ENDOR) and Electron Spin Echo Envelope Modulation (ESEEM)

    PubMed Central

    Cutsail, George E.; Telser, Joshua; Hoffman, Brian M.

    2015-01-01

    The advanced electron paramagnetic resonance (EPR) techniques, electron nuclear double resonance (ENDOR) and electron spin echo envelope modulation (ESEEM) spectroscopies, provide unique insights into the structure, coordination chemistry, and biochemical mechanism of Nature’s widely distributed iron-sulfur cluster (FeS) proteins. This review describes the ENDOR and ESEEM techniques and then provides a series of case studies on their application to a wide variety of FeS proteins including ferredoxins, nitrogenase, and radical SAM enzymes. PMID:25686535

  12. Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory

    PubMed Central

    Zhang, Yu; Biggs, Jason D.; Healion, Daniel; Govind, Niranjan; Mukamel, Shaul

    2012-01-01

    We report simulations of X-ray absorption near edge structure (XANES), resonant inelastic X-ray scattering (RIXS) and 1D stimulated X-ray Raman spectroscopy (SXRS) signals of cysteine at the oxygen, nitrogen, and sulfur K and \\documentclass[12pt]{minimal}\\begin{document}$\\textrm {L}_{2,3}$\\end{document}L2,3 edges. Comparison of the simulated XANES signals with experiment shows that the restricted window time-dependent density functional theory is more accurate and computationally less expensive than the static exchange method. Simulated RIXS and 1D SXRS signals give some insights into the correlation of different excitations in the molecule. PMID:23181305

  13. Fluorescent core-shell star polymers based bioassays for ultrasensitive DNA detection by surface plasmon fluorescence spectroscopy.

    PubMed

    Feng, Chuan Liang; Yin, Meizhen; Zhang, Di; Zhu, Shenmin; Caminade, Anne Marie; Majoral, Jean Pierre; Müllen, Klaus

    2011-04-19

    Multilayers containing a perylene diimide labelled star polymers (FSP) donor adjacent to phosphorus dendrimer layer on a silver substrate were constructed by layer by layer (LBL) approach. Using Surface Plasmon Enhanced Fluorescence Spectroscopy (SPFS) technique, a time-resolved ultrasensitive and selective detection of DNA targets relying on enhanced optical fields associated with energy transfer (ET) were achieved under the excitation at 543 nm. The detection limit is about 8 orders of magnitude better than the achieved one under the excitation at 632 nm, which is ascribed to no energy transfer from the donor to the acceptor under the excitation at 632 nm, resulting in much weak detection signal in turn.

  14. Characterization of a novel weak interaction between MUC1 and Src-SH3 using nuclear magnetic resonance spectroscopy

    SciTech Connect

    Gunasekara, Nirosha; Sykes, Brian; Hugh, Judith

    2012-05-18

    Highlights: Black-Right-Pointing-Pointer MUC1 binds the Src-SH3 domain potentially triggering Src dependent cell migration. Black-Right-Pointing-Pointer NMR Spectroscopy was used to monitor MUC1-CD and Src SH3 domain titrations. Black-Right-Pointing-Pointer MUC1-CD peptides bind with a low affinity (K{sub d} of 2-3 mM) to a non-canonical site. Black-Right-Pointing-Pointer Weak interactions may mediate dynamic processes like migration. Black-Right-Pointing-Pointer The MUC1-CD and Src-SH3 interaction may be a prime target to inhibit cell migration. -- Abstract: Breast cancer causes death through cancer cell migration and subsequent metastasis to distant organs. In vitro, the MUC1 mucin can mediate breast cancer cell migration by binding to intercellular adhesion molecule-1 (ICAM-1). This migration is dependent on MUC1 cytoplasmic domain (MUC1-CD) activation of the non-receptor tyrosine kinase, Src, possibly through competitive displacement of an inhibitory Src intramolecular SH3 binding. Therefore, we characterized the binding site and affinity of the MUC1-CD for Src-SH3 using multidimensional nuclear magnetic resonance (NMR) spectroscopy to monitor the titration of the {sup 15}N labeled Src-SH3 domain with synthetic native and mutant peptides of MUC1-CD. The results revealed that the dissociation constant (K{sub d}) for the interaction of the native MUC1-CD peptides and Src-SH3 domain was weak with a K{sub d} of 2-3 mM. Notably, the SH3 residues most perturbed upon peptide binding were located outside the usual hydrophobic binding cleft in a previously described alternate binding site on the Src-SH3, suggesting that MUC1-CD binds to a non-canonical site. The binding characteristics outlined here suggest that the interaction between Src-SH3 and MUC1-CD represents a novel weak electrostatic interaction of the type which is increasingly recognized as important in transient and dynamic protein complexes required for cell migration and signal transduction. As such, this

  15. Investigations into the Structure and Dynamics of Chalcogenide Glasses using High-Resolution Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Kaseman, Derrick Charles

    Chalcogenide glasses constitute an important class of materials that are sulfides, selenides or tellurides of group IV and/or V elements, namely Ge, As, P and Si with minor concentrations of other elements such as Ga, Sb, In. Because of their infrared transparency that can be tuned by changing chemistry and can be actively altered by exposure to band gap irradiation, chalcogenide glasses find use in passive and active optical devices for applications in the areas of photonics, remote sensing and memory technology. Therefore, it is important to establish predictive models of structure-property relationships for these materials for optimization of their physical properties for various applications. Structural elucidation of chalcogenide glasses is experimentally challenging and in order to make predictive structural models, structural units at both short and intermediate -range length scales must be identified and quantified. Nuclear Magnetic Resonance (NMR) spectroscopy is an element-specific structural probe that is uniquely suited for this task, but resolution and sensitivity issues have severely limited the applications of such techniques in the past. The recent development of multi-dimensional solid-state NMR techniques, such as Phase Adjusted Spinning Sidebands (PASS) and Magic Angle Turning (MAT) can potentially alleviate such issues. In this study novel two-dimensional, high-resolution 77Se and 125Te MATPASS NMR spectroscopic techniques are utilized to elucidate quantitatively the compositional evolution of the short- and intermediate- range atomic structure in three binary chalcogenide glass-forming systems, namely: GexSe100-x, AsxSe100-x , and AsxTe100-x. The spectroscopic results provide unambiguous site speciation and quantification for short- and intermediate-range structural motifs present in these glasses. In turn, for all systems, robust structural models and the corresponding structure-property relationships are successfully established as a function

  16. Single molecule force spectroscopy reveals critical roles of hydrophobic core packing in determining the mechanical stability of protein GB1.

    PubMed

    Bu, Tianjia; Wang, Hui-Chuan Eileen; Li, Hongbin

    2012-08-21

    Understanding molecular determinants of protein mechanical stability is important not only for elucidating how elastomeric proteins are designed and functioning in biological systems but also for designing protein building blocks with defined nanomechanical properties for constructing novel biomaterials. GB1 is a small α/β protein and exhibits significant mechanical stability. It is thought that the shear topology of GB1 plays an important role in determining its mechanical stability. Here, we combine single molecule atomic force microscopy and protein engineering techniques to investigate the effect of side chain reduction and hydrophobic core packing on the mechanical stability of GB1. We engineered seven point mutants and carried out mechanical φ-value analysis of the mechanical unfolding of GB1. We found that three mutations, which are across the surfaces of two subdomains that are to be sheared by the applied stretching force, in the hydrophobic core (F30L, Y45L, and F52L) result in significant decrease in mechanical unfolding force of GB1. The mechanical unfolding force of these mutants drop by 50-90 pN compared with wild-type GB1, which unfolds at around 180 pN at a pulling speed of 400 nm/s. These results indicate that hydrophobic core packing plays an important role in determining the mechanical stability of GB1 and suggest that optimizing hydrophobic interactions across the surfaces that are to be sheared will likely be an efficient method to enhance the mechanical stability of GB1 and GB1 homologues.

  17. Effect of the core/shell interface on auger recombination evaluated by single-quantum-dot spectroscopy.

    PubMed

    Park, Young-Shin; Bae, Wan Ki; Padilha, Lazaro A; Pietryga, Jeffrey M; Klimov, Victor I

    2014-02-12

    Previous single-particle spectroscopic studies of colloidal quantum dots have indicated a significant spread in biexciton lifetimes across an ensemble of nominally identical nanocrystals. It has been speculated that in addition to dot-to-dot variation in physical dimensions, this spread is contributed to by variations in the structure of the quantum dot interface, which controls the shape of the confinement potential. Here, we directly evaluate the effect of the composition of the core-shell interface on single- and multiexciton dynamics via side-by-side measurements of individual core-shell CdSe/CdS nanocrystals with a sharp versus smooth (graded) interface. To realize the latter type of structures we incorporate a CdSexS1-x alloy layer of controlled composition and thickness between the CdSe core and the CdS shell. We observe that while having essentially no effect on single-exciton decay, the interfacial alloy layer leads to a systematic increase in biexciton lifetimes, which correlates with the increase in the biexciton emission efficiency, as inferred from two-photon correlation measurements. These observations provide direct experimental evidence that in addition to the size of the quantum dot, its interfacial properties also significantly affect the rate of Auger recombination, which governs biexciton decay. These findings help rationalize previous observations of a significant heterogeneity in the biexciton lifetimes across similarly sized quantum dots and should facilitate the development of "Auger-recombination-free" colloidal nanostructures for a range of applications from lasers and light-emitting diodes to photodetectors and solar cells.

  18. Organic Chemistry of Low-Mass Star-Forming Cores. I. 7 mm Spectroscopy of Chamaeleon MMSl

    NASA Technical Reports Server (NTRS)

    Cordiner, Martn A.; Charnley, Steven B.; Wirtstroem, Eva S.; Smith, Robert G.

    2012-01-01

    Observations are presented of emission lines from organic molecules at frequencies 32-50 GHz in the vicinity of Chamaeleon MMS1. This chemically rich dense cloud core harbors an extremely young, very low luminosity protostellar object and is a candidate first hydrostatic core. Column densities are derived and emission maps are presented for species including polyynes, cyanopolyynes, sulphuretted carbon chains, and methanol. The polyyne emission peak lies about 5000 AU from the protostar, whereas methanol peaks about 15,000 AU away. Averaged over the telescope beam, the molecular hydrogen number density is calculated to be 10(exp 6) / cubic cm and the gas kinetic temperature is in the range 5-7 K. The abundances of long carbon chains are very large and are indicative of a nonequilibrium carbon chemistry; C6H and HC7N column densities are 5.9(sup +2.9) (sub -1.3) x 10(exp 11) /cubic cm and 3.3 (sup +8.0)(sub -1.5) x 10(exp 12)/sq cm, respectively, which are similar to the values found in the most carbon-chain-rich protostars and prestellar cores known, and are unusually large for star-forming gas. Column density upper limits were obtained for the carbon chain anions C4H(-) and C6H(-), with anion-to-neutral ratios [C4H(-)]/[C4H] < 0.02% and [C6H(-l)]/[C6H] < 10%, consistent with previous observations in interstellar clouds and low-mass protostars. Deuterated HC,3 and c-C3H2 were detected. The [DC3N]/[HC,N] ratio of approximately 4% is consistent with the value typically found in cold interstellar gas.

  19. Technical note: Evaluating nuclear magnetic resonance spectroscopy for determining body composition in Holstein dairy calves using deuterium oxide dilution methods.

    PubMed

    Chapman, C E; Wilkinson, P Stone; Murphy, M R; Erickson, P S

    2017-04-01

    Deuterium oxide (D2O) dilution methods have been used to assess body composition in live animals. Estimated body water content can be used to predict body fat and protein, and thus, the amount of energy reserves. It is an alternative method to direct chemical analysis and considered a noninvasive technique that is economical and repeatable. Deuterium oxide use is considered easy, safe, and accurate; however, the traditional methods of analyzing D2O are expensive, tedious, and time consuming. The objective of this study was to evaluate the potential for using nuclear magnetic resonance spectroscopy (NMR) to determine body composition in Holstein dairy heifers. Nuclear magnetic resonance is less expensive and requires minutes to calculate the percentage of D2O in the blood. This study used 24 newborn dairy heifer calves blocked by birth and randomly assigned to 1 of 3 treatments: (1) 446 g dry matter (DM) of a conventional milk replacer (MR) [CON; 20% crude protein (CP), 20% fat], (2) 669 g DM of a moderately high protein MR (MOD; 26% CP, 18% fat), or (3) 892 g DM of a moderately high protein MR (aggressive, AGG; 26% CP, 18% fat). All calves had free-choice access to starter and water. Both MR and starter were medicated with decoquinate. During weaning (d 43 to 49), the morning MR feeding ceased. On d 50, all MR feedings ended but starter and water intakes were continuously recorded until d 56. When calves were 50 d of age, a baseline blood sample was taken followed by injection of 300 mg of D2O/kg of body weight in sterile physiological saline (0.9%). The syringes containing the D2O in physiological saline were weighed before and after administration to record the actual dose of D2O injected gravimetrically. After injection, the D2O was allowed to equilibrate with body water for 1 h. Six blood samples were taken over 6 d (1/d) at 1630 h to estimate the dilution of the tracer. The plasma was aspirated and stored at -20°C until further D2O analysis. This new method

  20. First in-core simultaneous measurements of nuclear heating and thermal neutron flux obtained with the innovative mobile calorimeter CALMOS inside the OSIRIS reactor

    SciTech Connect

    Lepeltier, Valerie; Bubendorff, Jacques; Carcreff, Hubert; Salmon, Laurent

    2015-07-01

    Nuclear heating inside a MTR reactor has to be known in order to design and to run irradiation experiments which have to fulfill target temperature constraints. This measurement is usually carried out by calorimetry. The innovative calorimetric system, CALMOS, has been studied and built in 2011 for the 70 MWth OSIRIS reactor operated by CEA. Thanks to a new type of calorimetric probe, associated to a specific displacement system, it provides measurements along the fissile height and above the core. This development required preliminary modelling and irradiation of mock-ups of the calorimetric probe in the ex-core area, where nuclear heating rate does not exceed 2 W.g{sup -1}. The calorimeter working modes, the different measurement procedures allowed with such a new probe, the main modeling and experimental results and expected advantages of this new technique have been already presented. However, these first in-core measurements were not performed beyond 6 W.g{sup -1}, due to an inside temperature limitation imposed by a safety authority requirement. In this paper, we present the first in-core simultaneous measurements of nuclear heating and conventional thermal neutron flux obtained by the CALMOS device at the 70 MW nominal reactor power. For the first time, this experimental system was operated in nominal in-core conditions, with nominal neutron flux up to 2.7 10{sup 14} n.cm{sup -2}.s{sup -1} and nuclear heating up to 12 W.g{sup -1}. A comprehensive measurement campaign carried out from 2013 to 2015 inside all accessible irradiation locations of the core, allowed to qualify definitively this new device, not only in terms of measurement ability but also in terms of reliability. After a brief reminder of the calorimetric cell configuration and displacement system specificities, first nuclear heating distributions at nominal power are presented and discussed. In order to reinforce the heating evaluation, a systematic comparison is made between results obtained by

  1. Non-resonant wavelength modulation saturation spectroscopy in acetylene-filled hollow-core photonic bandgap fibres applied to modulation-free laser diode stabilisation.

    PubMed

    Pineda-Vadillo, Pablo; Lynch, Michael; Charlton, Christy; Donegan, John F; Weldon, Vincent

    2009-12-07

    In this paper the application of Wavelength Modulation (WM) techniques to non-resonant saturation spectroscopy in acetylene-filled Hollow-Core Photonic Bandgap Fibres (HC-PBFs) and modulation-free Laser Diode (LD) frequency stabilisation is investigated. In the first part WM techniques are applied to non-resonant pump-probe saturation of acetylene overtone rotational transitions in a HC-PBF. A high-power DFB chip-on-carrier mounted LD is used in conjunction with a tuneable External Cavity Laser (ECL) and the main saturation parameters are characterized. In the second part a novel feedback system to stabilize the DFB emission wavelength based on the WM saturation results is implemented. Modulation-free locking of the DFB laser frequency to the narrow linewidth saturation feature is achieved for both constant and variable LD temperatures.

  2. Variation of exciton-vibrational coupling in photosystem II core complexes from Thermosynechococcus elongatus as revealed by single-molecule spectroscopy.

    PubMed

    Skandary, Sepideh; Hussels, Martin; Konrad, Alexander; Renger, Thomas; Müh, Frank; Bommer, Martin; Zouni, Athina; Meixner, Alfred J; Brecht, Marc

    2015-03-19

    The spectral properties and dynamics of the fluorescence emission of photosystem II core complexes are investigated by single-molecule spectroscopy at 1.6 K. The emission spectra are dominated by sharp zero-phonon lines (ZPLs). The sharp ZPLs are the result of weak to intermediate exciton-vibrational coupling and slow spectral diffusion. For several data sets, it is possible to surpass the effect of spectral diffusion by applying a shifting algorithm. The increased signal-to-noise ratio enables us to determine the exciton-vibrational coupling strength (Huang-Rhys factor) with high precision. The Huang-Rhys factors vary between 0.03 and 0.8. The values of the Huang-Rhys factors show no obvious correlation between coupling strength and wavelength position. From this result, we conclude that electrostatic rather than exchange or dispersive interactions are the main contributors to the exciton-vibrational coupling in this system.

  3. Time-and-state resolved spectroscopy, diffraction, and circular dichroism in core photoelectron emission from clean and oxygen-covered W(110)

    SciTech Connect

    Ynzunza, Ramon Xavier

    1998-10-01

    Several aspects of core-level photoelectron emission fi-om solid surfaces as excited by high-brightness variable-polarization synchrotrons radiation have been studied with a new beamline and experimental station at the Advanced Light Source in Berkeley. These include: resolution of different chemical states and site types via high-resolution photoelectron spectroscopy (PS), the use of state-resolved photoelectron difllaction (PD) to determine local atomic geometries, and the observation and analysis of circular dichroism (CD) effects in photoelectron diffraction. These methods have been applied to clean and oxygen-exposed surfaces of W(110). Full-solid-angle photoelectron diffraction from clean W(110) was measured, with the surface and bulk atoms being clearly resolved.

  4. Angle-resolved photoemission spectroscopy with 9-eV photon-energy pulses generated in a gas-filled hollow-core photonic crystal fiber

    SciTech Connect

    Bromberger, H. Liu, H.; Chávez-Cervantes, M.; Gierz, I.; Ermolov, A.; Belli, F.; Abdolvand, A.; Russell, P. St. J.; Travers, J. C.; Calegari, F.; Li, M. T.; Lin, C. T.; Cavalleri, A.

    2015-08-31

    A recently developed source of ultraviolet radiation, based on optical soliton propagation in a gas-filled hollow-core photonic crystal fiber, is applied here to angle-resolved photoemission spectroscopy (ARPES). Near-infrared femtosecond pulses of only few μJ energy generate vacuum ultraviolet radiation between 5.5 and 9 eV inside the gas-filled fiber. These pulses are used to measure the band structure of the topological insulator Bi{sub 2}Se{sub 3} with a signal to noise ratio comparable to that obtained with high order harmonics from a gas jet. The two-order-of-magnitude gain in efficiency promises time-resolved ARPES measurements at repetition rates of hundreds of kHz or even MHz, with photon energies that cover the first Brillouin zone of most materials.

  5. Characterization of phosphorus forms in lake macrophytes and algae by solution (31)P nuclear magnetic resonance spectroscopy.

    PubMed

    Feng, Weiying; Zhu, Yuanrong; Wu, Fengchang; Meng, Wei; Giesy, John P; He, Zhongqi; Song, Lirong; Fan, Mingle

    2016-04-01

    Debris from aquatic macrophytes and algae are important recycling sources of phosphorus (P), which can result in continuing blooms of algae by recycling bioavailable P in the eutrophic lakes. However, knowledge of forms of P in aquatic macrophytes and algae and their contribution to internal loads of P in lakes is limited. Without such knowledge, it is difficult to develop appropriate strategies to remediate and or restore aquatic ecosystems that have become eutrophic. Therefore, in this work, P was extracted from six types of aquatic macrophytes and algae collected from Tai Lake of China and characterized by use of solution (31)P-nuclear magnetic resonance (NMR) spectroscopy. When extracted by 0.5 M NaOH-25 mM EDTA, extraction recovery of total P(TP) and organic P(Po) exceeded 90 %. Concentrations of Po in algae and aquatic macrophytes were 5552 mg kg(-1) and 1005 mg kg(-1) and accounted for 56.0 and 47.2 % of TP, respectively. When Po, including condensed P, was characterized by solution (31)P-NMR Po in algae included orthophosphate monoesters (79.8 %), pyrophosphate (18.2 %), and orthophosphate diester (2.0 %), and Po in aquatic macrophytes included orthophosphate monoesters (90.3 %), pyrophosphate (4.2 %), and orthophosphate diester (5.5 %). Additionally, orthophosphate monoesters in algal debris mainly included β-glycerophosphate (44.1 %), α-glycerophosphate (13.5 %), and glucose 6-phosphate (13.5 %). Orthophosphate monoesters in aquatic macrophytes mainly included β-glycerophosphate (27.9 %), α-glycerophosphate (24.6 %), and adenosine 5' monophosphate (8.2 %). Results derived from this study will be useful in better understanding nutrient cycling, relevant eutrophication processes, and pollution control for freshwater lakes.

  6. Metabolic profiles using (1)H-nuclear magnetic resonance spectroscopy in postpartum dairy cows with ovarian inactivity.

    PubMed

    Xu, Chuchu; Xia, Cheng; Sun, Yuhang; Xiao, Xinhuan; Wang, Gang; Fan, Ziling; Shu, Shi; Zhang, Hongyou; Xu, Chuang; Yang, Wei

    2016-10-01

    To understand the differences in metabolic changes between cows with ovarian inactivity and estrus cows, we selected cows at 60-90 days postpartum from an intensive dairy farm. According to clinical manifestations, B-ultrasound scan, rectal examination, 10 cows were assigned to the estrus group (A) and 10 to the ovarian inactivity group (B). All plasma samples were analyzed by (1)H-nuclear magnetic resonance spectroscopy to compare plasma metabolomic profiles between the groups. We used multivariate pattern recognition to screen for different metabolites in plasma of anestrus cows. Compared with normal estrous cows, there were abnormalities in 12 kinds of metabolites in postpartum cows with ovarian inactivity (|r|> 0.602), including an increase in acetic acid (r = -0.817), citric acid (r = -0.767), and tyrosine (r = -0.714), and a decrease in low-density lipoprotein (r = 0.820), very low-density lipoprotein (r = 0.828), lipids (r = 0.769), alanine (r = 0.816), pyruvate (r = 0.721), creatine (r = 0.801), choline (r = 0.639), phosphorylcholine (r = 0.741), and glycerophosphorylcholine (r = 0.881). These metabolites were closely related to abnormality of glucose, amino acid, lipoprotein and choline metabolism, which may disturb the normal estrus. The decrease in plasma creatine and the increase in tyrosine were new changes for ovarian inactivity of postpartum cows. The decrease in plasma creatine and choline and the increase in tyrosine and p-hydroxyphenylalanine in cows with ovarian inactivity provide new directions for research on the mechanism of ovarian inactivity in cows.

  7. 3D Motions of Iron in Six-Coordinate {FeNO}(7) Hemes by Nuclear Resonance Vibration Spectroscopy.

    PubMed

    Peng, Qian; Pavlik, Jeffrey W; Silvernail, Nathan J; Alp, E Ercan; Hu, Michael Y; Zhao, Jiyong; Sage, J Timothy; Scheidt, W Robert

    2016-04-25

    The vibrational spectrum of a six-coordinate nitrosyl iron porphyrinate, monoclinic [Fe(TpFPP)(1-MeIm)(NO)] (TpFPP=tetra-para-fluorophenylporphyrin; 1-MeIm=1-methylimidazole), has been studied by oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS). The crystal was oriented to give spectra perpendicular to the porphyrin plane and two in-plane spectra perpendicular or parallel to the projection of the FeNO plane. These enable assignment of the FeNO bending and stretching modes. The measurements reveal that the two in-plane spectra have substantial differences that result from the strongly bonded axial NO ligand. The direction of the in-plane iron motion is found to be largely parallel and perpendicular to the projection of the bent FeNO on the porphyrin plane. The out-of-plane Fe-N-O stretching and bending modes are strongly mixed with each other, as well as with porphyrin ligand modes. The stretch is mixed with v50 as was also observed for dioxygen complexes. The frequency of the assigned stretching mode of eight Fe-X-O (X=N, C, and O) complexes is correlated with the Fe-XO bond lengths. The nature of highest frequency band at ≈560 cm(-1) has also been examined in two additional new derivatives. Previously assigned as the Fe-NO stretch (by resonance Raman), it is better described as the bend, as the motion of the central nitrogen atom of the FeNO group is very large. There is significant mixing of this mode. The results emphasize the importance of mode mixing; the extent of mixing must be related to the peripheral phenyl substituents.

  8. Multicomponent analysis of radiolytic products in human body fluids using high field proton nuclear magnetic resonance (NMR) spectroscopy

    NASA Astrophysics Data System (ADS)

    Grootveld, Martin C.; Herz, Herman; Haywood, Rachel; Hawkes, Geoffrey E.; Naughton, Declan; Perera, Anusha; Knappitt, Jacky; Blake, David R.; Claxson, Andrew W. D.

    1994-05-01

    High field proton Hahn spin-echo nuclear magnetic resonance (NMR) spectroscopy has been employed to investigate radiolytic damage to biomolecules present in intact human body fluids. γ-Radiolysis of healthy or rheumatoid human serum (5.00 kGy) in the presence of atmospheric O 2 gave rise to reproducible elevations in the concentration of NMR-detectable acetate which are predominantly ascribable to the prior oxidation of lactate to pyruvate by hydroxyl radical (·OH) followed by oxidative decarboxylation of pyruvate by radiolytically-generated hydrogen peroxide (H 2O 2) and/or further ·OH radical. Increases in the serum levels of non-protein-bound, low-molecular-mass components such as citrate and glutamine were also observed subsequent to γ-radiolysis, an observation which may reflect their mobilisation from protein binding-sites by ·OH radical, superoxide anion and/or H 2O 2. Moreover, substantial radiolytically-mediated elevations in the concentration of serum formate were also detectable. In addition to the above modifications, γ-radiolysis of inflammatory knee-joint synovial fluid (SF) generated a low-molecular-mass oligosaccharide species derived from the radiolytic fragmentation of hyaluronate. The radiolytically-mediated production of acetate in SF samples was markedly greater than that observed in serum samples, a consequence of the much higher levels of ·OH radical-scavenging lactate present. Indeed, increases in SF acetate concentration were detectable at doses as low as 48 Gy. We conclude that high field proton NMR analysis provides much useful information regarding the relative radioprotectant abilities of endogenous components and the nature, status and levels of radiolytic products generated in intact biofluids. We also suggest that NMR-detectable radiolytic products with associated toxicological properties (e.g. formate) may play a role in contributing to the deleterious effects observed following exposure of living organisms to sources of

  9. Conformation of the phosphate D-alanine zwitterion in bacterial teichoic acid from nuclear magnetic resonance spectroscopy.

    PubMed

    Garimella, Ravindranath; Halye, Jeffrey L; Harrison, William; Klebba, Phillip E; Rice, Charles V

    2009-10-06

    The conformation of d-alanine (d-Ala) groups of bacterial teichoic acid is a central, yet untested, paradigm of microbiology. The d-Ala binds via the C-terminus, thereby allowing the amine to exist as a free cationic NH(3)(+) group with the ability to form a contact ion pair with the nearby anionic phosphate group. This conformation hinders metal chelation by the phosphate because the zwitterion pair is charge neutral. To the contrary, the repulsion of cationic antimicrobial peptides (CAMPs) is attributed to the presence of the d-Ala cation; thus the ion pair does not form in this model. Solid-state nuclear magnetic resonance (NMR) spectroscopy has been used to measure the distance between amine and phosphate groups within cell wall fragments of Bacillus subtilis. The bacteria were grown on media containing (15)N d-Ala and beta-chloroalanine racemase inhibitor. The rotational-echo double-resonance (REDOR) pulse sequence was used to measure the internuclear dipolar coupling, and the results demonstrate (1) the metal-free amine-to-phosphate distance is 4.4 A and (2) the amine-to-phosphate distance increases to 5.4 A in the presence of Mg(2+) ions. As a result, the zwitterion exists in a nitrogen-oxygen ion pair configuration providing teichoic acid with a positive charge to repel CAMPs. Additionally, the amine of d-Ala does not prevent magnesium chelation in contradiction to the prevailing view of teichoic acids in metal binding. Thus, the NMR-based description of teichoic acid structure resolves the contradictory models, advances the basic understanding of cell wall biochemistry, and provides possible insight into the creation of new antibiotic therapies.

  10. Adenosine conformations of nucleotides bound to methionyl tRNA synthetase by transferred nuclear Overhauser effect spectroscopy.

    PubMed Central

    Murali, N; Lin, Y; Mechulam, Y; Plateau, P; Rao, B D

    1997-01-01

    The conformations of MgATP and AMP bound to a monomeric tryptic fragment of methionyl tRNA synthetase have been investigated by two-dimensional proton transferred nuclear Overhauser effect spectroscopy (TRNOESY). The sample protocol was chosen to minimize contributions from adventitious binding of the nucleotides to the observed NOE. The experiments were performed at 500 MHz on three different complexes, E.MgATP, E.MgATP.L-methioninol, and E.AMP.L-methioninol. A starter set of distances obtained by fitting NOE build-up curves (not involving H5' and H5") were used to determine a CHARMm energy-minimized structure. The positioning of the H5' and H5" protons was determined on the basis of a conformational search of the torsion angle to obtain the best fit with the observed NOEs for their superposed resonance. Using this structure, a relaxation matrix was set up to calculate theoretical build-up curves for all of the NOEs and compare them with the observed curves. The final structures deduced for the adenosine moieties in the three complexes are very similar, and are described by a glycosidic torsion angle (chi) of 56 degrees +/- 5 degrees and a phase angle of pseudorotation (P) in the range of 47 degrees to 52 degrees, describing a 3(4)T-4E sugar pucker. The glycosidic torsion angle, chi, deduced here for this adenylyl transfer enzyme and those determined previously for three phosphoryl transfer enzymes (creatine kinase, arginine kinase, and pyruvate kinase), and one pyrophosphoryl enzyme (PRibPP synthetase), are all in the range 52 degrees +/- 8 degrees. The narrow range of values suggests a possible common motif for the recognition and binding of the adenosine moiety at the active sites of ATP-utilizing enzymes, irrespective of the point of cleavage on the phosphate chain. Images FIGURE 6 PMID:9129831

  11. Systematic Identification of Protein-Metabolite Interactions in Complex Metabolite Mixtures by Ligand-Detected Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Nikolaev, Yaroslav V; Kochanowski, Karl; Link, Hannes; Sauer, Uwe; Allain, Frederic H-T

    2016-05-10

    Protein-metabolite interactions play a vital role in the regulation of numerous cellular processes. Consequently, identifying such interactions is a key prerequisite for understanding cellular regulation. However, the noncovalent nature of the binding between proteins and metabolites has so far hampered the development of methods for systematically mapping protein-metabolite interactions. The few available, largely mass spectrometry-based, approaches are restricted to specific metabolite classes, such as lipids. In this study, we address this issue and show the potential of ligand-detected nuclear magnetic resonance (NMR) spectroscopy, which is routinely used in drug development, to systematically identify protein-metabolite interactions. As a proof of concept, we selected four well-characterized bacterial and mammalian proteins (AroG, Eno, PfkA, and bovine serum albumin) and identified metabolite binders in complex mixes of up to 33 metabolites. Ligand-detected NMR captured all of the reported protein-metabolite interactions, spanning a full range of physiologically relevant Kd values (low micromolar to low millimolar). We also detected a number of novel interactions, such as promiscuous binding of the negatively charged metabolites citrate, AMP, and ATP, as well as binding of aromatic amino acids to AroG protein. Using in vitro enzyme activity assays, we assessed the functional relevance of these novel interactions in the case of AroG and show that l-tryptophan, l-tyrosine, and l-histidine act as novel inhibitors of AroG activity. Thus, we conclude that ligand-detected NMR is suitable for the systematic identification of functionally relevant protein-metabolite interactions.

  12. ORGANIC CHEMISTRY OF LOW-MASS STAR-FORMING CORES. I. 7 mm SPECTROSCOPY OF CHAMAELEON MMS1

    SciTech Connect

    Cordiner, Martin A.; Charnley, Steven B.; Wirstroem, Eva S.; Smith, Robert G.

    2012-01-10

    Observations are presented of emission lines from organic molecules at frequencies 32-50 GHz in the vicinity of Chamaeleon MMS1. This chemically rich dense cloud core harbors an extremely young, very low luminosity protostellar object and is a candidate first hydrostatic core. Column densities are derived and emission maps are presented for species including polyynes, cyanopolyynes, sulphuretted carbon chains, and methanol. The polyyne emission peak lies about 5000 AU from the protostar, whereas methanol peaks about 15,000 AU away. Averaged over the telescope beam, the molecular hydrogen number density is calculated to be 10{sup 6} cm{sup -3} and the gas kinetic temperature is in the range 5-7 K. The abundances of long carbon chains are very large and are indicative of a non-equilibrium carbon chemistry; C{sub 6}H and HC{sub 7}N column densities are 5.9{sup +2.9}{sub -1.3} Multiplication-Sign 10{sup 11} cm{sup -2} and 3.3{sup +8.0}{sub -1.5} Multiplication-Sign 10{sup 12} cm{sup -2}, respectively, which are similar to the values found in the most carbon-chain-rich protostars and prestellar cores known, and are unusually large for star-forming gas. Column density upper limits were obtained for the carbon-chain anions C{sub 4}H{sup -} and C{sub 6}H{sup -}, with anion-to-neutral ratios [C{sub 4}H{sup -}]/[C{sub 4}H] < 0.02% and [C{sub 6}H{sup -}]/[C{sub 6}H] < 10%, consistent with previous observations in interstellar clouds and low-mass protostars. Deuterated HC{sub 3}N and c-C{sub 3}H{sub 2} were detected. The [DC{sub 3}N]/[HC{sub 3}N] ratio of approximately 4% is consistent with the value typically found in cold interstellar gas.

  13. Adsorption and dissociation of acidic trace gases on ice surfaces - caught in the act with core level spectroscopy

    NASA Astrophysics Data System (ADS)

    Waldner, Astrid; Orlando, Fabrizio; Ammann, Markus; Kleibert, Armin; Huthwelker, Thomas; Peter, Thomas; Bartels-Rausch, Thorsten

    2015-04-01

    Chemistry and physical processes in Earth's ice and snow cover can change the composition of the atmosphere and the contaminant content of the cryosphere. They have thus direct impacts on geochemical cycles and the climate system. Our ability to predict the fate of chemicals in snow or air masses in exchange with the cryosphere on a regional scale or to model those in snow chemistry models is currently hampered by our limited understanding of the underlying mechanisms on a molecular level. So far, direct experimental observations under environmentally relevant conditions of the ice surface and of the adsorption of trace gases to it are very limited. The unique approach of this study is to combine two surface sensitive spectroscopic methods to directly probe the hydrogen-bonding network at the ice surface ( ~1 nm depth) and the concentration, depth profile (~1 to 10 nm), and dissociation degree of the dopant. We present first core-electron photoemission (XPS) and partial electron yield X-ray absorption (NEXAFS) measurements of formic acid adsorbed to ice at 240 K. The analysis of oxygen NEXAFS spectra reveals information on changes in the hydrogen-bonding network of the ice surface upon adsorption of formic acid. Depth profiles based on XPS measurements indicate that the adsorbed acid stays at the ice surface. Furthermore we obtained a preliminary estimation of the degree of formic acid dissociation at the ice surface. Results are compared to earlier core-electron studies of several trace gases adsorbed to ice at 240 K and compared to results from more traditional method to and snow to reveal fundamental aspects of the ice surface and how it interacts with dopants. Even with the focus on adsorption of acidic trace gases to ice, results of this study will thus be of high relevance also for other chemical processes in ice and snow. This is of interest not only in environmental science but also in material science, cryobiology, and astrophysics.

  14. [The study of dimethoate by means of vibrational and surface enhanced Raman spectroscopy on Au/Ag core-shell nanoparticles].

    PubMed

    He, Qiang; Li, Si; Yu, Dan-Ni; Zhou, Gunag-Ming; Ji, Fang-Ying; Subklew, Guenter

    2010-12-01

    The vibrational structure of dimethoate, with its solid state and saturated solutions at acidic and basic conditions, was characterized with combination of means of FTIR and FT-Raman vibrational spectroscopy technology, and the comprehensive information about the dimethoate molecular groups' vibrational features was obtained. The surface enhanced Raman scattering (SERS) spectra of dimethoate at different concentrations with different acidic and basic conditions, and adsorbed on the substrate's surface of the core-shell Au/Ag nanoparticles, were also obtained. The adsorption states of dimethoate's molecule on the substrate's surface of the core-shell Au/Ag nanoparticles and the effects by the different acid-base conditions were investigated, with speculation of the adsorption mechanism. From the results, v(as)(NH), v(as)(CH3), v(O=C-N), tau(O=C-N), v(P-O), v(P=S), v(C-C) and delta(P-O-C) are the characteristic peaks of inner dimethoate structure's vibrations; and the concentration range in which dimethoate could interact with core-shell Au/Ag nanoparticles fully is about 1.0 x 10(-3) mol * L(-1) both in acidic and basic conditions. Dimethoate's molecule interacts with SERS' substrate surface mainly through P-O-C, O=C-C, (S-CH2), P=S, and CH3 structures; and the effects of dimethoate's hydrolysis path in acidic and basic conditions on the adsorption are discussed, which give some good references for the research of organophosphorus pesticides' transformations in different environmental systems.

  15. Formation of a nuclear reactor's molten core bath in a crucible-type corium catcher for a nuclear power station equipped with VVER reactors

    NASA Astrophysics Data System (ADS)

    Beshta, S. V.; Vitol', S. A.; Granovskii, V. S.; Kalyago, E. K.; Kovtunova, S. V.; Krushinov, E. V.; Sulatskaya, M. B.; Sulatskii, A. A.; Khabenskii, V. B.; Al'Myashev, V. I.; Gusarov, V. V.

    2011-05-01

    Results from a calculation study on analyzing the formation of a melt bath in a crucible-type catcher for the conditions of a severe accident at a nuclear power station equipped with VVER-1000 reactors are presented. It is shown that the heat loads exerted on the water-cooled walls of the corium catcher shell are limited to a permissible level at which the necessary margins to nucleate boiling crisis and to destruction are ensured under the conditions of thermal and mechanical loading of the shell. An important role of sacrificial material in the efficient operation of the corium catcher is pointed out.

  16. Identification of Autographa californica nucleopolyhedrovirus ac93 as a core gene and its requirement for intranuclear microvesicle formation and nuclear egress of nucleocapsids.

    PubMed

    Yuan, Meijin; Huang, Zhenqiu; Wei, Denghui; Hu, Zhaoyang; Yang, Kai; Pang, Yi

    2011-11-01

    Autographa californica nucleopolyhedrovirus (AcMNPV) orf93 (ac93) is a highly conserved uncharacterized gene that is found in all of the sequenced baculovirus genomes except for Culex nigripalpus NPV. In this report, using bioinformatics analyses, ac93 and odv-e25 (ac94) were identified as baculovirus core genes and thus p33-ac93-odv-e25 represent a cluster of core genes. To investigate the role of ac93 in the baculovirus life cycle, an ac93 knockout AcMNPV bacmid was constructed via homologous recombination in Escherichia coli. Fluorescence and light microscopy showed that the AcMNPV ac93 knockout did not spread by infection, and titration assays confirmed a defect in budded virus (BV) production. However, deletion of ac93 did not affect viral DNA replication. Electron microscopy indicated that ac93 was required for the egress of nucleocapsids from the nucleus and the formation of intranuclear microvesicles, which are precursor structures of occlusion-derived virus (ODV) envelopes. Immunofluorescence analyses showed that Ac93 was concentrated toward the cytoplasmic membrane in the cytoplasm and in the nuclear ring zone in the nucleus. Western blot analyses showed that Ac93 was associated with both nucleocapsid and envelope fractions of BV, but only the nucleocapsid fraction of ODV. Our results suggest that ac93, although not previously recognized as a core gene, is one that plays an essential role in the formation of the ODV envelope and the egress of nucleocapsids from the nucleus.

  17. Atomic Auger decay in core-excited HBr by angle-resolved two-dimensional photoelectron spectroscopy

    SciTech Connect

    Feng, Ximao; Wills, Antony A.; Wiedenhoeft, Marco; Berrah, Nora; Sokell, Emma

    2006-01-15

    Angle-resolved two-dimensional photoelectron spectroscopy has been used to study HBr in the vicinity of the Br 3d ionization thresholds. The energy positions of the two 3d{sub 5/2,3/2}{yields}{sigma}{sup *} resonances have been measured directly and found to be at 70.89(6) eV and 71.92(6) eV, respectively, giving a spin-orbit splitting of 1.03(3) eV for the two Br 3d components. Br Auger lines (26 eV

  18. Detection of proteins on silica-silver core-shell substrates by surface-enhanced Raman spectroscopy.

    PubMed

    Chen, Lei; Han, Xiaoxia; Yang, Jingxiu; Zhou, Ji; Song, Wei; Zhao, Bing; Xu, Weiqing; Ozaki, Yukihiro

    2011-08-15

    We have employed the proposed Silica-Silver Core-Shell (SSCS) SERS-active substrates to detect four model proteins: lysozyme (a protein without chromophore), cytochrome c (a protein with chromophore of heme), fluorescein isothiocyanate (FITC)-anti human IgG (labeled with FITC) and atto610-biotin/avidin (recognition with labeled small molecules). SERS spectra of these proteins and Raman labels on the SSCS substrates show both high sensitivity and reproducibility, which are due to electromagnetic SERS enhancement with additional localization field within closely packed Ag nanoparticles decorated on the SiO(2) nanoparticles and the aggregation of SiO(2)@Ag particles. We have found that the SERS intensities of atto610-biotin/avidin adsorbed on the SSCS substrates are about 20 times stronger than those from Ag plating on Au-decorated substrate. Moreover, the broad surface plasmon resonance (SPR) of the proposed substrates will extend SERS applications to more biological molecules with different laser excitations.

  19. 2D-IR spectroscopy of the sulfhydryl band of cysteines in the hydrophobic core of proteins.

    PubMed

    Koziński, M; Garrett-Roe, S; Hamm, P

    2008-06-26

    We investigate the sulfhydryl band of cysteines as a new chromophore for two-dimensional IR (2D-IR) studies of the structure and dynamics of proteins. Cysteines can be put at almost any position in a protein by standard methods of site-directed mutagenesis and, hence, have the potential to be an extremely versatile local probe. Although being a very weak absorber in aqueous environment, the sulfhydryl group gets strongly polarized when situated in an alpha-helix inside the hydrophobic core of a protein because of a strong hydrogen bond to the backbone carbonyl group. The extinction coefficient (epsilon=150 M(-1) cm(-1)) then is sufficiently high to perform detailed 2D-IR studies even at low millimolar concentrations. Using porcine (carbonmonoxy)hemoglobin as an example, which contains two such cysteines in its wild-type form, we demonstrate that spectral diffusion deduced from the 2D-IR line shapes reports on the overall-breathing of the corresponding alpha-helix. The vibrational lifetime of the sulfhydryl group (T1 approximately 6 ps) is considerably longer than that of the much more commonly used amide I mode (approximately 1.0 ps), thereby significantly extending the time window in which spectral diffusion processes can be observed. The experiments are accompanied by molecular dynamics simulations revealing a good overall agreement.

  20. NMR spectroscopy of the ligand binding core of ionotropic glutamate receptor 2 bound to 5-substituted willardiine partial agonists

    PubMed Central

    Fenwick, Michael K.; Oswald, Robert E.

    2008-01-01

    Glutamate receptors mediate neuronal intercommunication in the central nervous system by coupling extracellular neurotransmitter-receptor interactions to ion channel conductivity. To gain insight into structural and dynamical factors that underlie this coupling, solution NMR experiments were performed on the bi-lobed ligand-binding core of glutamate receptor 2 in complexes with a set of willardiine partial agonists. These agonists are valuable for studying structure-function relationships because their 5-position substituent size is correlated with ligand efficacy and extent of receptor desensitization whereas the substituent electronegativity is correlated with ligand potency. NMR results show that the protein backbone amide chemical shift deviations correlate mainly with efficacy and extent of desensitization. Pronounced deviations occur at specific residues in the ligand-binding site and in the two helical segments that join the lobes by a disulfide bond. Experiments detecting conformational exchange show that micro- to millisecond timescale motions also occur near the disulfide bond and vary largely with efficacy and extent of desensitization. These results thus identify regions displaying structural and dynamical dissimilarity arising from differences in ligand-protein interactions and lobe closure which may play a critical role in receptor response. Furthermore, measures of line broadening and conformational exchange for a portion of the ligand-binding site correlate with ligand EC50 data. These results do not have any correlate in the currently available crystal structures and thus provide a novel view of ligand-binding events that may be associated with agonist potency differences. PMID:18387631