Science.gov

Sample records for resonance small angle

  1. Small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Cousin, Fabrice

    2015-10-01

    Small Angle Neutron Scattering (SANS) is a technique that enables to probe the 3-D structure of materials on a typical size range lying from ˜ 1 nm up to ˜ a few 100 nm, the obtained information being statistically averaged on a sample whose volume is ˜ 1 cm3. This very rich technique enables to make a full structural characterization of a given object of nanometric dimensions (radius of gyration, shape, volume or mass, fractal dimension, specific area…) through the determination of the form factor as well as the determination of the way objects are organized within in a continuous media, and therefore to describe interactions between them, through the determination of the structure factor. The specific properties of neutrons (possibility of tuning the scattering intensity by using the isotopic substitution, sensitivity to magnetism, negligible absorption, low energy of the incident neutrons) make it particularly interesting in the fields of soft matter, biophysics, magnetic materials and metallurgy. In particular, the contrast variation methods allow to extract some informations that cannot be obtained by any other experimental techniques. This course is divided in two parts. The first one is devoted to the description of the principle of SANS: basics (formalism, coherent scattering/incoherent scattering, notion of elementary scatterer), form factor analysis (I(q→0), Guinier regime, intermediate regime, Porod regime, polydisperse system), structure factor analysis (2nd Virial coefficient, integral equations, characterization of aggregates), and contrast variation methods (how to create contrast in an homogeneous system, matching in ternary systems, extrapolation to zero concentration, Zero Averaged Contrast). It is illustrated by some representative examples. The second one describes the experimental aspects of SANS to guide user in its future experiments: description of SANS spectrometer, resolution of the spectrometer, optimization of spectrometer

  2. Fractal Approach in Petrology: Combining Ultra-Small Angle (USANA) and Small Angle Neutron Scattering (SANS)

    SciTech Connect

    LoCelso, F.; Triolo, F.; Triolo, A.; Lin, J.S.; Lucido, G.; Triolo, R.

    1999-10-14

    Ultra small angle neutron scattering instruments have recently covered the gap between the size resolution available with conventional intermediate angle neutron scattering and small angle neutron scattering instruments on one side and optical microscopy on the other side. Rocks showing fractal behavior in over two decades of momentum transfer and seven orders of magnitude of intensity are examined and fractal parameters are extracted from the combined USANS and SANS curves.

  3. The Pluto System At Small Phase Angles

    NASA Astrophysics Data System (ADS)

    Verbiscer, Anne J.; Buie, Marc W.; Binzel, Richard; Ennico, Kimberly; Grundy, William M.; Olkin, Catherine B.; Showalter, Mark Robert; Spencer, John R.; Stern, S. Alan; Weaver, Harold A.; Young, Leslie; New Horizons Science Team

    2016-10-01

    Hubble Space Telescope observations of the Pluto system acquired during the New Horizons encounter epoch (HST Program 13667, M. Buie, PI) span the phase angle range from 0.06 to 1.7 degrees, enabling the measurement and characterization of the opposition effect for Pluto and its satellites at 0.58 microns using HST WFC3/UVIS with the F350LP filter, which has a broadband response and a pivot wavelength of 0.58 microns. At these small phase angles, differences in the opposition effect width and amplitude appear. The small satellites Nix and Hydra both exhibit a very narrow opposition surge, while the considerably larger moon Charon has a broader opposition surge. Microtextural surface properties derived from the shape and magnitude of the opposition surge of each surface contain a record of the collisional history of the system. We combine these small phase angle observations with those made at larger phase angles by the New Horizons Long Range Reconnaissance Imager (LORRI), which also has a broadband response with a pivot wavelength of 0.61 microns, to produce the most complete disk-integrated solar phase curves that we will have for decades to come. Modeling these disk-integrated phase curves generates sets of photometric parameters that will inform spectral modeling of the satellite surfaces as well as terrains on Pluto from spatially resolved New Horizons Ralph Linear Etalon Imaging Spectral Array (LEISA) data from 1.2 to 2.5 microns. Rotationally resolved phase curves of Pluto reveal opposition effects that only appear at phase angles less than 0.1 degree and have widths and amplitudes that are highly dependent on longitude and therefore on Pluto's diverse terrains. The high albedo region informally known as Sputnik Planum dominates the disk-integrated reflectance of Pluto on the New Horizons encounter hemisphere. These results lay the groundwork for observations at true opposition in 2018, when the Pluto system will be observable at phase angles so small that

  4. Apex-angle-dependent resonances in triangular split-ring resonators

    NASA Astrophysics Data System (ADS)

    Burnett, Max A.; Fiddy, Michael A.

    2016-02-01

    Along with other frequency selective structures (Pendry et al. in IEEE Trans Microw Theory Tech 47(11):2075-2084, 1999) (circles and squares), triangular split-ring resonators (TSRRs) only allow frequencies near the center resonant frequency to propagate. Further, TSRRs are attractive due to their small surface area (Vidhyalakshmi et al. in Stopband characteristics of complementary triangular split ring resonator loaded microstrip line, 2011), comparatively, and large quality factors ( Q) as previously investigated by Gay-Balmaz et al. (J Appl Phys 92(5):2929-2936, 2002). In this work, we examine the effects of varying the apex angle on the resonant frequency, the Q factor, and the phase shift imparted by the TSRR element within the GHz frequency regime.

  5. Small Angle X-Ray Scattering Detector

    DOEpatents

    Hessler, Jan P.

    2004-06-15

    A detector for time-resolved small-angle x-ray scattering includes a nearly constant diameter, evacuated linear tube having an end plate detector with a first fluorescent screen and concentric rings of first fiber optic bundles for low angle scattering detection and an annular detector having a second fluorescent screen and second fiber optic bundles concentrically disposed about the tube for higher angle scattering detection. With the scattering source, i.e., the specimen under investigation, located outside of the evacuated tube on the tube's longitudinal axis, scattered x-rays are detected by the fiber optic bundles, to each of which is coupled a respective photodetector, to provide a measurement resolution, i.e., dq/q, where q is the momentum transferred from an incident x-ray to an x-ray scattering specimen, of 2% over two (2) orders of magnitude in reciprocal space, i.e., q.sub.max /q.sub.min.congruent.100.

  6. Impedance Scaling for Small Angle Transitions

    SciTech Connect

    Stupakov, G.; Bane, Karl; Zagorodnov, I.; /DESY

    2010-10-27

    Based on the parabolic equation approach to Maxwell's equations we have derived scaling properties of the high frequency impedance/short bunch wakefields of structures. For the special case of small angle transitions we have shown the scaling properties are valid for all frequencies. Using these scaling properties one can greatly reduce the calculation time of the wakefield/impedance of long, small angle, beam pipe transitions, like one often finds in insertion regions of storage rings. We have tested the scaling with wakefield simulations of 2D and 3D models of such transitions, and found that the scaling works well. In modern ring-based light sources one often finds insertion devices having extremely small vertical apertures (on the order of millimeters) to allow for maximal undulator fields reaching the beam. Such insertion devices require that there be beam pipe transitions from these small apertures to the larger cross-sections (normally on the order of centimeters) found in the rest of the ring. The fact that there may be many such transitions, and that these transitions introduce beam pipe discontinuities very close to the beam path, means that their impedance will be large and, in fact, may dominate the impedance budget of the entire ring. To reduce their impact on impedance, the transitions are normally tapered gradually over a long distance. The accurate calculation of the impedance or wakefield of these long transitions, which are typically 3D objects (i.e. they do not have cylindrical symmetry), can be quite a challenging numerical task. In this report we present a method of obtaining the impedance of a long, small angle transition from the calculation of a scaled, shorter one. Normally, the actual calculation is obtained from a time domain simulation of the wakefield in the structure, where the impedance can be obtained by performing a Fourier transform. We shall see that the scaled calculation reduces the computer time and memory requirements

  7. Emerging applications of small angle solution scattering in structural biology

    PubMed Central

    Chaudhuri, Barnali N

    2015-01-01

    Small angle solution X-ray and neutron scattering recently resurfaced as powerful tools to address an array of biological problems including folding, intrinsic disorder, conformational transitions, macromolecular crowding, and self or hetero-assembling of biomacromolecules. In addition, small angle solution scattering complements crystallography, nuclear magnetic resonance spectroscopy, and other structural methods to aid in the structure determinations of multidomain or multicomponent proteins or nucleoprotein assemblies. Neutron scattering with hydrogen/deuterium contrast variation, or X-ray scattering with sucrose contrast variation to a certain extent, is a convenient tool for characterizing the organizations of two-component systems such as a nucleoprotein or a lipid-protein assembly. Time-resolved small and wide-angle solution scattering to study biological processes in real time, and the use of localized heavy-atom labeling and anomalous solution scattering for applications as FRET-like molecular rulers, are amongst promising newer developments. Despite the challenges in data analysis and interpretation, these X-ray/neutron solution scattering based approaches hold great promise for understanding a wide variety of complex processes prevalent in the biological milieu. PMID:25516491

  8. Soller collimators for small angle neutron scattering

    SciTech Connect

    Crawford, R.K.; Epperson, J.E.; Thiyagarajan, P.

    1988-09-30

    Small angle diffractometers at pulsed sources need to have fairly short flight paths if they are to make use of the long-wavelength portion of the spectrum without encountering problems from frame overlap or sacrificing intensity with band-limiting or pulse-removing choppers. With such short flight paths, achieving the necessary angular collimation in the incident beam while utilizing the full source size (/approximately/10 cm diameter) and a reasonable sample size (/approximately/1 cm diameter) requires the use of converging multiple-aperture collimation. If the collimation channels are all focused to the same point on the detector then the large sample size will not affect Q/sub min/ or the Q-resolution, even if the sample-to-detector distance is short. The Small Angle Diffractometer (SAD) at IPNS uses crossed converging soller collimators to provide focusing multiple-aperture collimation having /approximately/400 converging beam channels with essentially no ''dead'' space between them. This entire collimator system occupies a distance of only /approximately/60 cm along the incident flight path, while providing angular collimation of 0.003 radians FWHM. The dimensions for the SAD upstream collimator are L/sub c/ = 32.8 cm, d/sub 1/ = 0.974 mm, d/sub 2/ = 0.851 mm, while for the SAD downstream collimator L/sub c/ = 25.0 cm, d/sub 1/ - 0.844 mm, d/sub 2/ = 0.750 mm. Each of these collimators has 20 blades defining 21 horizontal or vertical channels. 4 refs., 6 figs.

  9. Resonance Angle Nodding Behavior for Planet Pairs Near Mean Motion Resonance

    NASA Astrophysics Data System (ADS)

    Ketchum, Jake; Adams, F. C.; Bloch, A. M.

    2012-05-01

    Motivated by the large number of extrasolar planetary systems that are near mean motion resonances, this paper explores a related type of dynamical behavior known as “nodding”. Here, the resonance angle of a planetary system executes libration (oscillatory motion) for several cycles, circulates for one or more cycles, and then enters once again into libration. This type of complicated dynamics can affect our interpretation of observed planetary systems that are in or near mean motion resonance. This work shows that planetary systems in mean motion resonance can exhibit nodding behavior, and outlines the portion of parameter space where it occurs. This problem is addressed using both full numerical integrations of the planetary systems and via model equations obtained through expansions of the disturbing function. In the latter approach, we identify the relevant terms that allow for nodding. The two approaches are in agreement, and show that nodding often occurs when a small body is in an external mean motion resonance with a larger planet. As a result, this phenomena can be important for interpreting observations of transit timing variations, where the existence of smaller bodies is inferred through their effects on larger, observed transiting planets.

  10. Small-angle scattering from fat fractals

    NASA Astrophysics Data System (ADS)

    Anitas, Eugen M.

    2014-06-01

    A number of experimental small-angle scattering (SAS) data are characterized by a succession of power-law decays with arbitrarily decreasing values of scattering exponents. To describe such data, here we develop a new theoretical model based on 3D fat fractals (sets with fractal structure, but nonzero volume) and show how one can extract structural information about the underlying fractal structure. We calculate analytically the monodisperse and polydisperse SAS intensity (fractal form factor and structure factor) of a newly introduced model of fat fractals and study its properties in momentum space. The system is a 3D deterministic mass fractal built on an extension of the well-known Cantor fractal. The model allows us to explain a succession of power-law decays and respectively, of generalized power-law decays (GPLD; superposition of maxima and minima on a power-law decay) with arbitrarily decreasing scattering exponents in the range from zero to three. We show that within the model, the present analysis allows us to obtain the edges of all the fractal regions in the momentum space, the number of fractal iteration and the fractal dimensions and scaling factors at each structural level in the fractal. We applied our model to calculate an analytical expression for the radius of gyration of the fractal. The obtained quantities characterizing the fat fractal are correlated to variation of scaling factor with the iteration number.

  11. Mapping of low flip angles in magnetic resonance

    NASA Astrophysics Data System (ADS)

    Balezeau, Fabien; Eliat, Pierre-Antoine; Bordelois Cayamo, Alejandro; Saint-Jalmes, Hervé

    2011-10-01

    Errors in the flip angle have to be corrected in many magnetic resonance imaging applications, especially for T1 quantification. However, the existing methods of B1 mapping fail to measure lower values of the flip angle despite the fact that these are extensively used in dynamic acquisition and 3D imaging. In this study, the nonlinearity of the radiofrequency (RF) transmit chain, especially for very low flip angles, is investigated and a simple method is proposed to accurately determine both the gain of the RF transmitter and the B1 field map for low flip angles. The method makes use of the spoiled gradient echo sequence with long repetition time (TR), such as applied in the double-angle method. It uses an image acquired with a flip angle of 90° as a reference image that is robust to B1 inhomogeneity. The ratio of the image at flip angle alpha to the image at a flip angle of 90° enables us to calculate the actual value of alpha. This study was carried out at 1.5 and 4.7 T, showing that the linearity of the RF supply system is highly dependent on the hardware. The method proposed here allows us to measure the flip angle from 1° to 60° with a maximal uncertainty of 10% and to correct T1 maps based on the variable flip angle method.

  12. Nucleation of small-angle boundaries

    SciTech Connect

    Nabarro, F.R.N. |; Wilsdorf, D.K.

    1996-12-01

    The internal stresses induced by the strain gradients in an array of lattice cells delineated by low-angle dislocation boundaries are partially relieved by the creation of new low-angle boundaries. This is shown to be a first-order transition, the new boundaries having finite misorientations. The calculated misorientations both of the new boundaries and of the existing boundaries which provoke the transition agree well with observations.

  13. Binding of the N-terminal domain of the lactococcal bacteriophage TP901-1 CI repressor to its target DNA: a crystallography, small angle scattering, and nuclear magnetic resonance study.

    PubMed

    Frandsen, Kristian H; Rasmussen, Kim K; Jensen, Malene Ringkjøbing; Hammer, Karin; Pedersen, Margit; Poulsen, Jens-Christian N; Arleth, Lise; Lo Leggio, Leila

    2013-10-01

    In most temperate bacteriophages, regulation of the choice of lysogenic or lytic life cycle is controlled by a CI repressor protein. Inhibition of transcription is dependent on a helix-turn-helix motif, often located in the N-terminal domain (NTD), which binds to specific DNA sequences (operator sites). Here the crystal structure of the NTD of the CI repressor from phage TP901-1 has been determined at 1.6 Å resolution, and at 2.6 Å resolution in complex with a 9 bp double-stranded DNA fragment that constitutes a half-site of the OL operator. This N-terminal construct, comprising residues 2-74 of the CI repressor, is monomeric in solution as shown by nuclear magnetic resonance (NMR), small angle X-ray scattering, and gel filtration and is monomeric in the crystal structures. The binding interface between the NTD and the half-site in the crystal is very similar to the interface that can be mapped by NMR in solution with a full palindromic site. The interactions seen in the complexes (in the crystal and in solution) explain the observed affinity for the OR site that is lower than that for the OL site and the specificity for the recognized DNA sequence in comparison to that for other repressors. Compared with many well-studied phage repressor systems, the NTD from TP901-1 CI has a longer extended scaffolding helix that, interestingly, is strongly conserved in putative repressors of Gram-positive pathogens. On the basis of sequence comparisons, we suggest that these bacteria also possess repressor/antirepressor systems similar to that found in phage TP901-1. PMID:24047404

  14. Structural effects of insulin-loading into HII mesophases monitored by electron paramagnetic resonance (EPR), small angle X-ray spectroscopy (SAXS), and attenuated total reflection Fourier transform spectroscopy (ATR-FTIR).

    PubMed

    Mishraki, Tehila; Ottaviani, Maria Francesca; Shames, Alexander I; Aserin, Abraham; Garti, Nissim

    2011-06-30

    Insulin entrapment within a monoolein-based reverse hexagonal (H(II)) mesophase was investigated under temperature-dependent conditions at acidic (pH 3) and basic (pH 8) conditions. Studying the structure of the host H(II) system and the interactions of insulin under temperature-dependent conditions has great impact on the enhancement of its thermal stabilization and controlled release for the purposes of transdermal delivery. Small angle X-ray spectroscopy (SAXS) measurements show that pH variation and/or insulin entrapment preserve the hexagonal structure and do not influence the lattice parameter. Attenuated total reflection Fourier transform spectroscopy (ATR-FTIR) spectra indicate that, although insulin interacts with hydroxyl groups of GMO in the interface region, it is not affected by pH variations. Hence different microenvironments within the H(II) mesophase were monitored by a computer-aided electron paramagnetic resonance (EPR) analysis using 5-doxylstearic acid (5-DSA) as a pH-dependent probe. The microviscosity, micropolarity, order of systems, and distribution of the probes in different microenvironments were influenced by three factors: temperature, pH, and insulin solubilization. When the temperature is increased, microviscosity and order parameters decreased at both pH 3 and 8, presenting different decrease trends. It was found that, at pH 3, the protein perturbs the lipid structure while "pushing aside" the un-ionized 5-DSA probe to fit into the narrow water cylinders. At the interface region (pH 8), the probe was distributed in two differently structured environments that significantly modifies by increasing temperature. Insulin loading within the H(II) mesophase decreased the order and microviscosity of both the microenvironments and increased their micropolarity. Finally, the EPR analysis also provides information about the unfolding/denaturation of insulin within the channel at high temperatures.

  15. Thin resonant structures for angle and polarization independent microwave absorption

    NASA Astrophysics Data System (ADS)

    Lockyear, Matthew J.; Hibbins, Alastair P.; Sambles, J. Roy; Hobson, Peter A.; Lawrence, Christopher R.

    2009-01-01

    We present a microwave absorbing structure comprised of an array of subwavelength radius copper disks, closely spaced from a ground plane by a low loss dielectric. Experiments and accompanying modeling demonstrate that this structure supports electromagnetic standing wave resonances associated with a cylindrical cavity formed by the volume immediately beneath each metal disk. Microwave absorption on resonance of these modes, at wavelengths much greater than the thickness of the structure, is dictated almost entirely by the radius of the disk and permittivity of the dielectric, being largely independent of the incident angle and polarization.

  16. Banded structures in electron pitch angle diffusion coefficients from resonant wave-particle interactions

    NASA Astrophysics Data System (ADS)

    Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

    2016-04-01

    Electron pitch angle (Dαα) and momentum (Dpp) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies ≤10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = ±1, ±2, … ±5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (α) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in Dαα and Dpp coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The Dpp diffusion coefficient for ECH waves is one to two orders smaller than Dαα coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than Dαα coefficients for the case n ≠ 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of Dαα coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89° and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle 10° and Landau

  17. Design and manufacture of angle modulated surface plasmon resonance spectrometer

    NASA Astrophysics Data System (ADS)

    Zhou, Xinlei; Chen, Ke; Mao, Xuefeng; Yu, Qingxu; Peng, Wei

    2015-08-01

    As an emerging biosensing technology, Surface Plasmon Resonance (SPR) technique, characterized by high sensitivity, label-free detection and real-time monitoring, has been extensively applied in biochemical analysis, environmental monitoring and refractive index measurement. In this paper, an angle modulated SPR spectrometer with high resolution is designed and manufactured. First, according to the modeling and simulation for the SPR spectrometer, several key parameters such as the light source, the thickness of golden film and Cr film are determined. Then, an angle modulated SPR spectrometer system based on 5-layers Kretchmann prism structure is developed for biochemical analysis. System performance is tested after the SPR spectrometer established. We test the power stability of the laser first, which is up to 1.504% (5min). Different concentrations of glycerol are measured to demarcate the system. Then, we measured the deionized water ten times continuously, and a resolution of 1.5×10-5 RIU is achieved. At last, different concentrations of glucose solution are measured, and the resonance angles are used to calculate the refractive index of the glucose solutions, which is more accurate than the result of Abbe refractometer. The relationship between concentration and refractive index is presented by liner fitting.

  18. Methods for magnetic resonance analysis using magic angle technique

    DOEpatents

    Hu, Jian Zhi; Wind, Robert A.; Minard, Kevin R.; Majors, Paul D.

    2011-11-22

    Methods of performing a magnetic resonance analysis of a biological object are disclosed that include placing the object in a main magnetic field (that has a static field direction) and in a radio frequency field; rotating the object at a frequency of less than about 100 Hz around an axis positioned at an angle of about 54.degree.44' relative to the main magnetic static field direction; pulsing the radio frequency to provide a sequence that includes a phase-corrected magic angle turning pulse segment; and collecting data generated by the pulsed radio frequency. In particular embodiments the method includes pulsing the radio frequency to provide at least two of a spatially selective read pulse, a spatially selective phase pulse, and a spatially selective storage pulse. Further disclosed methods provide pulse sequences that provide extended imaging capabilities, such as chemical shift imaging or multiple-voxel data acquisition.

  19. Small angle neutron scattering from nanometer grain sized materials

    SciTech Connect

    Epperson, J.E.; Siegel, R.W.

    1991-11-01

    Small angie neutron scattering has been utilized, along with a number of complementary characterization methods suitable to the nanometer size scale, to investigate the structures of cluster-assembled nanophase materials. Results of these investigations are described and problems and opportunities in using small angle scattering for elucidating nanostructures are discussed.

  20. Small-angle neutron scattering from samples of expanded carbon

    SciTech Connect

    Bogdanov, S. G. Valiev, E. Z.; Dorofeev, Yu. A.; Pirogov, A. N.; Skryabin, Yu. N.; Makotchenko, V. G.; Nazarov, A. S.; Fedorov, V. E.

    2006-12-15

    The subatomic structure of expanded graphite has been investigated by small-angle neutron scattering. Samples were synthesized during quick thermal decomposition of intercalated compounds based on oxidized graphite. They had a low bulk density (up to 0.1 g/cm{sup 3}) and were characterized by considerable small-angle scattering. It has been established that majority of the volume of expanded graphite samples is occupied by participles with characteristic sizes in two ranges: from 6 to 8 nm and from 20 to 30 nm. Small particles have properties of a surface fractal with the dimension D{sub s} = 2.4-2.6, whereas the larger particles are mainly smooth and have the dimension D{sub s} = 2.0-2.1. The specific surface of the samples studied was determined from the small-angle scattering data.

  1. Small-signal model for the series resonant converter

    NASA Technical Reports Server (NTRS)

    King, R. J.; Stuart, T. A.

    1985-01-01

    The results of a previous discrete-time model of the series resonant dc-dc converter are reviewed and from these a small signal dynamic model is derived. This model is valid for low frequencies and is based on the modulation of the diode conduction angle for control. The basic converter is modeled separately from its output filter to facilitate the use of these results for design purposes. Experimental results are presented.

  2. Precision angle-resolved autoionization resonances in Ar and Ne

    SciTech Connect

    Berrah, N.; Langer, B.; Gorczyca, T.W.

    1997-04-01

    Theoretical work has shown that the electron angular distribution and the shape of the autoionization resonances are crucial to the understanding of certain types of electron-electron correlation. Autoionization resonances in Ne (Ar) result from the decay of the excited discrete state Ne{sup *} 2s2p{sup 6} np (Ar{sup *} 3s3p{sup 6} np) into the continuum state Ne{sup +} 2s{sup 2}2p{sup 5} + e{sup {minus}} (ks,kd) (Ar{sup +} 3s{sup 2}3p{sup 5} + e{sup {minus}} (ks,kd)). Since the continuum can also be reached by direct photoionization, both paths add coherently, giving rise to interferences that produce the characteristic Beutler-Fano line shape. In this work, the authors report on quantitative angle-resolved electron spectrometry studies of (a) the Ne 2s{sup 2}2p{sup 6} {r_arrow} 2s2p{sup 6} np (n=3-5) autoionizing resonances and the 2s{sup 2}2p{sup 6} {r_arrow} 2p{sup 4}3s3p doubly excited resonance, (b) the Ar 3s{sup 2}3p{sup 6} {r_arrow} 3s3p{sup 6} np (n=4-9) autoionization resonances and extended R-matrix calculations of the angular-distribution parameters for both Ne and Ar measurements. Their results are compared with previous theoretical work by Taylor.

  3. Enhancing the Surface Sensitivity of Metallic Nanostructures Using Oblique-Angle-Induced Fano Resonances.

    PubMed

    Lee, Kuang-Li; Chang, Chia-Chun; You, Meng-Lin; Pan, Ming-Yang; Wei, Pei-Kuen

    2016-01-01

    Surface sensitivity is an important factor that determines the minimum amount of biomolecules detected by surface plasmon resonance (SPR) sensors. We propose the use of oblique-angle-induced Fano resonances caused by two-mode coupling or three-mode coupling between the localized SPR mode and long-range surface plasmon polariton modes to increase the surface sensitivities of silver capped nanoslits. The results indicate that the coupled resonance between the split SPR (-kSPR) and cavity modes (two-mode coupling) has a high wavelength sensitivity for small-angle incidence (2°) due to its short decay length. Additionally, three-mode coupling between the split SPR (-kSPR), substrate (+kSub) and cavity modes has a high intensity sensitivity for large-angle incidence due to its short decay length, large resonance slope and enhanced transmission intensity. Compared to the wavelength measurement, the intensity measurement has a lower detectable (surface) concentration below 1 ng/ml (0.14 pg/mm(2)) and is reduced by at least 3 orders of magnitude. In addition, based on the calibration curve and current system noise, a theoretical detection limit of 2.73 pg/ml (0.38 fg/mm(2)) can be achieved. Such a surface concentration is close to that of prism-based SPR with phase measurement (0.1-0.2 fg/mm(2) under a phase shift of 5 mdeg). PMID:27609431

  4. Enhancing the Surface Sensitivity of Metallic Nanostructures Using Oblique-Angle-Induced Fano Resonances

    NASA Astrophysics Data System (ADS)

    Lee, Kuang-Li; Chang, Chia-Chun; You, Meng-Lin; Pan, Ming-Yang; Wei, Pei-Kuen

    2016-09-01

    Surface sensitivity is an important factor that determines the minimum amount of biomolecules detected by surface plasmon resonance (SPR) sensors. We propose the use of oblique-angle-induced Fano resonances caused by two-mode coupling or three-mode coupling between the localized SPR mode and long-range surface plasmon polariton modes to increase the surface sensitivities of silver capped nanoslits. The results indicate that the coupled resonance between the split SPR (‑kSPR) and cavity modes (two-mode coupling) has a high wavelength sensitivity for small-angle incidence (2°) due to its short decay length. Additionally, three-mode coupling between the split SPR (‑kSPR), substrate (+kSub) and cavity modes has a high intensity sensitivity for large-angle incidence due to its short decay length, large resonance slope and enhanced transmission intensity. Compared to the wavelength measurement, the intensity measurement has a lower detectable (surface) concentration below 1 ng/ml (0.14 pg/mm2) and is reduced by at least 3 orders of magnitude. In addition, based on the calibration curve and current system noise, a theoretical detection limit of 2.73 pg/ml (0.38 fg/mm2) can be achieved. Such a surface concentration is close to that of prism-based SPR with phase measurement (0.1–0.2 fg/mm2 under a phase shift of 5 mdeg).

  5. Enhancing the Surface Sensitivity of Metallic Nanostructures Using Oblique-Angle-Induced Fano Resonances.

    PubMed

    Lee, Kuang-Li; Chang, Chia-Chun; You, Meng-Lin; Pan, Ming-Yang; Wei, Pei-Kuen

    2016-01-01

    Surface sensitivity is an important factor that determines the minimum amount of biomolecules detected by surface plasmon resonance (SPR) sensors. We propose the use of oblique-angle-induced Fano resonances caused by two-mode coupling or three-mode coupling between the localized SPR mode and long-range surface plasmon polariton modes to increase the surface sensitivities of silver capped nanoslits. The results indicate that the coupled resonance between the split SPR (-kSPR) and cavity modes (two-mode coupling) has a high wavelength sensitivity for small-angle incidence (2°) due to its short decay length. Additionally, three-mode coupling between the split SPR (-kSPR), substrate (+kSub) and cavity modes has a high intensity sensitivity for large-angle incidence due to its short decay length, large resonance slope and enhanced transmission intensity. Compared to the wavelength measurement, the intensity measurement has a lower detectable (surface) concentration below 1 ng/ml (0.14 pg/mm(2)) and is reduced by at least 3 orders of magnitude. In addition, based on the calibration curve and current system noise, a theoretical detection limit of 2.73 pg/ml (0.38 fg/mm(2)) can be achieved. Such a surface concentration is close to that of prism-based SPR with phase measurement (0.1-0.2 fg/mm(2) under a phase shift of 5 mdeg).

  6. Enhancing the Surface Sensitivity of Metallic Nanostructures Using Oblique-Angle-Induced Fano Resonances

    PubMed Central

    Lee, Kuang-Li; Chang, Chia-Chun; You, Meng-Lin; Pan, Ming-Yang; Wei, Pei-Kuen

    2016-01-01

    Surface sensitivity is an important factor that determines the minimum amount of biomolecules detected by surface plasmon resonance (SPR) sensors. We propose the use of oblique-angle-induced Fano resonances caused by two-mode coupling or three-mode coupling between the localized SPR mode and long-range surface plasmon polariton modes to increase the surface sensitivities of silver capped nanoslits. The results indicate that the coupled resonance between the split SPR (−kSPR) and cavity modes (two-mode coupling) has a high wavelength sensitivity for small-angle incidence (2°) due to its short decay length. Additionally, three-mode coupling between the split SPR (−kSPR), substrate (+kSub) and cavity modes has a high intensity sensitivity for large-angle incidence due to its short decay length, large resonance slope and enhanced transmission intensity. Compared to the wavelength measurement, the intensity measurement has a lower detectable (surface) concentration below 1 ng/ml (0.14 pg/mm2) and is reduced by at least 3 orders of magnitude. In addition, based on the calibration curve and current system noise, a theoretical detection limit of 2.73 pg/ml (0.38 fg/mm2) can be achieved. Such a surface concentration is close to that of prism-based SPR with phase measurement (0.1–0.2 fg/mm2 under a phase shift of 5 mdeg). PMID:27609431

  7. Impedance Scaling for Small-angle Tapers and Collimators

    SciTech Connect

    Stupakov, G.; /SLAC

    2010-02-11

    In this note I will prove that the impedance calculated for a small-angle collimator or taper, of arbitrary 3D profile, has a scaling property that can greatly simplify numerical calculations. This proof is based on the parabolic equation approach to solving Maxwell's equation developed in Refs. [1, 2]. We start from the parabolic equation formulated in [3]. As discussed in [1], in general case this equation is valid for frequencies {omega} >> c/a where a is a characteristic dimension of the obstacle. However, for small-angle tapers and collimators, the region of validity of this equation extends toward smaller frequencies and includes {omega} {approx} c/a.

  8. SMALL ANGLE CRAB COMPENSATION FOR LHC IR UPGRADE

    SciTech Connect

    CALAGA,R.; DORDA, U.; OHMI, D.; OIDE, K.; TOMAS, R.; ZIMMERMANN, F.

    2007-06-25

    A small angle (< 1 mrad) crab scheme is an attractive option for the LHC luminosity upgrade to recover the geometric luminosity loss from the finite crossing angle [I]. The luminosity loss increases steeply to unacceptable levels as the IP beta function is reduced below its nominal value (see Fig. 1 in Ref. [2]). The crab compensation in the LHC can be accomplished using only two sets of deflecting RF cavities, placed in collision-free straight sections of the LHC to nullify the effective crossing angles at IPI & IP5. We also explore a 400 MHz superconducting cavity design and discuss the pertinent RF challenges. We present IR optics configurations with low-angle crab crossing, study the beam-beam performance and proton-beam emittance growth in the presence of crab compensation, lattice errors, and crab RF noise sources.

  9. Ultra Small-Angle Neutron Scattering Study of Porous Glass

    SciTech Connect

    Desai, Reshma R.; Desa, J. A. Erwin; Sen, D.; Mazumder, S.

    2011-07-15

    Compacts of silica micro-spheres prepared for different times at sintering temperatures of 640 deg. C and 740 deg. C have been studied by Ultra Small-Angle Neutron Scattering (USANS) and Scanning Electron Microscopy (SEM). Stress versus strain measurements display several breakage points related to a range of nearest neighbour coordination around each microsphere.

  10. Implications of the small aspect angles of equatorial spread F

    SciTech Connect

    Hysell, D.L.; Farley, D.T.

    1996-03-01

    Small-scale equatorial spread F irregularities are almost perfectly aligned with the geomagnetic field. The authors develop here an analytic plasma kinetic theory of small-scale, quasi-field-aligned irregularities that include ion viscosity and finite Larmor radius effects. They conclude, for one thing, that the measured aspect angles are too small to be consistent with a dissipative drift wave source of 3-m irregularities. Nonlinearly driven flute modes appear to be the only available mechanism. The authors compare the relative influence of parallel and perpendicular dissipation and conclude that the aspect width depends only weakly on any single geophysical parameters, such as collision frequency, gradient length, temperature, etc. This finding is consistent with their observation that the measured aspect angles vary little with altitude and only weakly with instability level. 29 refs., 5 figs.

  11. A SMALL-ANGLE DRILL-HOLE WHIPSTOCK

    DOEpatents

    Nielsen, D.E.; Olsen, J.L.; Bennett, W.P.

    1963-01-29

    A small angle whipstock is described for accurately correcting or deviating a drill hole by a very small angle. The whipstock is primarily utilized when drilling extremely accurate, line-of-slight test holes as required for diagnostic studies related to underground nuclear test shots. The invention is constructed of a length of cylindrical pipe or casing, with a whipstock seating spike extending from the lower end. A wedge-shaped segment is secured to the outer circumference of the upper end of the cylinder at a position diametrically opposite the circumferential position of the spike. Pin means are provided for affixing the whipstock to a directional drill bit and stem to alloy orienting and setting the whipstock properly in the drill hole. (AEC)

  12. SANS (small-angle neutron scattering) from polymers and colloids

    SciTech Connect

    Hayter, J.B.

    1987-01-01

    Small-angle neutron scattering (SANS) has been remarkably successful in providing detailed quantitative structural information on complex everyday materials, such as polymers and colloids, which are often of considerable industrial as well as academic interest. This paper reviews some recent SANS experiments on polymers and colloids, including ferrofluids, and discusses the use of these apparently complex systems as general physical models of the liquid or solid state.

  13. The small angle neutron spectrometer at the HANARO reactor, Korea

    NASA Astrophysics Data System (ADS)

    Seong, B.-S.; Han, Y.-S.; Lee, C.-H.; Lee, J.-S.; Hong, K.-P.; Park, K.-N.; Kim, H.-J.

    A new small angle neutron spectrometer (SANS) has been installed on the CN beam tube at the 30 MW HANARO Research Reactor in the Korea Atomic Energy Research Institute (KAERI). The SANS is to be used for the study of microstructural inhomogeneities in materials in the 1 nm to 100 nm size range. In this paper, the design characteristics of the spectrometer are presented in detail, and several SANS results for standard samples are presented which illustrate its performance.

  14. Insights into the intramolecular coupling between the N- and C-domains of troponin C derived from high-pressure, fluorescence, nuclear magnetic resonance, and small-angle X-ray scattering studies.

    PubMed

    de Oliveira, Guilherme A P; Rocha, Cristiane B; Marques, Mayra de A; Cordeiro, Yraima; Sorenson, Martha M; Foguel, Débora; Silva, Jerson L; Suarez, Marisa C

    2013-01-01

    Troponin C (TnC), the Ca(2+)-binding component of the troponin complex of vertebrate skeletal muscle, consists of two structurally homologous domains, the N- and C-domains; these domains are connected by an exposed α-helix. Mutants of full-length TnC and of its isolated domains have been constructed using site-directed mutagenesis to replace different Phe residues with Trp. Previous studies utilizing these mutants and high hydrostatic pressure have shown that the apo form of the C-domain is less stable than the N-domain and that the N-domain has no effect on the stability of the C-domain [Rocha, C. B., Suarez, M. C., Yu, A., Ballard, L., Sorenson, M. M., Foguel, D., and Silva, J. L. (2008) Biochemistry 47, 5047-5058]. Here, we analyzed the stability of full-length F29W TnC using structural approaches under conditions of added urea and hydrostatic pressure denaturation; F29W TnC is a fluorescent mutant, in which Phe 29, located in the N-domain, was replaced with Trp. From these experiments, we calculated the thermodynamic parameters (ΔV and ΔG°(atm)) that govern the folding of the intact F29W TnC in the absence or presence of Ca(2+). We found that the C-domain has only a small effect on the structure of the N-domain in the absence of Ca(2+). However, using fluorescence spectroscopy, we demonstrated a significant decrease in the stability of the N-domain in the Ca(2+)-bound state (i.e., when Ca(2+) was also bound to sites III and IV of the C-domain). An accompanying decrease in the thermodynamic stability of the N-domain generated a reduction in ΔΔG°(atm) in absolute terms, and Ca(2+) binding affects the Ca(2+) affinity of the N-domain in full-length TnC. Cross-talk between the C- and N-domains may be mediated by the central helix, which has a smaller volume and likely greater rigidity and stability following binding of Ca(2+) to the EF-hand sites, as determined by our construction of low-resolution three-dimensional models from the small-angle X

  15. Uncertainties in Small-Angle Measurement Systems Used to Calibrate Angle Artifacts.

    PubMed

    Stone, Jack A; Amer, Mohamed; Faust, Bryon; Zimmerman, Jay

    2004-01-01

    We have studied a number of effects that can give rise to errors in small-angle measurement systems when they are used to calibrate artifacts such as optical polygons. Of these sources of uncertainty, the most difficult to quantify are errors associated with the measurement of imperfect, non-flat faces of the artifact, causing the instrument to misinterpret the average orientation of the surface. In an attempt to shed some light on these errors, we have compared autocollimator measurements to angle measurements made with a Fizeau phase-shifting interferometer. These two instruments have very different operating principles and implement different definitions of the orientation of a surface, but (surprisingly) we have not yet seen any clear differences between results obtained with the autocollimator and with the interferometer. The interferometer is in some respects an attractive alternative to an autocollimator for small-angle measurement; it implements an unambiguous and robust definition of surface orientation in terms of the tilt of a best-fit plane, and it is easier to quantify likely errors of the interferometer measurements than to evaluate autocollimator uncertainty.

  16. Uncertainties in Small-Angle Measurement Systems Used to Calibrate Angle Artifacts

    PubMed Central

    Stone, Jack A.; Amer, Mohamed; Faust, Bryon; Zimmerman, Jay

    2004-01-01

    We have studied a number of effects that can give rise to errors in small-angle measurement systems when they are used to calibrate artifacts such as optical polygons. Of these sources of uncertainty, the most difficult to quantify are errors associated with the measurement of imperfect, non-flat faces of the artifact, causing the instrument to misinterpret the average orientation of the surface. In an attempt to shed some light on these errors, we have compared autocollimator measurements to angle measurements made with a Fizeau phase-shifting interferometer. These two instruments have very different operating principles and implement different definitions of the orientation of a surface, but (surprisingly) we have not yet seen any clear differences between results obtained with the autocollimator and with the interferometer. The interferometer is in some respects an attractive alternative to an autocollimator for small-angle measurement; it implements an unambiguous and robust definition of surface orientation in terms of the tilt of a best-fit plane, and it is easier to quantify likely errors of the interferometer measurements than to evaluate autocollimator uncertainty. PMID:27366616

  17. Determining Equilibrium Lamellar Thickness by Small Angle Light Scattering

    NASA Astrophysics Data System (ADS)

    Li, Ying; Akpalu, Yvonne

    2002-03-01

    The crystallization and melting behavior of homogeneous copolymers of ethylene with butene and hexene is studied by small angle light scattering (SALS). We show that the final melting temperature (T_m^f), which corresponds to equilibrium between a melt with an overall ethylene sequence concentration (equal to the mole fraction of crystallizable units) and the thickest lamellar crystals can be determined from the SALS melting measurements. The T_m^f values, determined from the temperature at which the SALS HV or VV invariant vanishes during the melting, are substantially higher (7 to 10 °C) than those obtained from small angle x-ray (SAXS), wide angle x-ray scattering (WAXS) and differential scanning calorimetry (DSC). Thus our measurements indicate that SAXS, WAXS and DSC underestimate the lamellar thickness (l_f) of the largest crystals, a parameter necessary for estimating thermodynamic and kinetic parameters for ethylene copolymers. We also investigate T_m^f as a function of crystallization time (ranging from 1 hr to 72 hr) and heating rate. We discuss the implications of our SALS approach for estimating T_m^f, lf and lamellar morphological parameters from x-ray scattering.

  18. Varied magnetic field, multiple-pulse, and magic-angle spinning proton nuclear magnetic resonance study of muscle water

    SciTech Connect

    Fung, B.M.; Ryan, L.M.; Gerstein, B.C.

    1980-02-01

    The nuclear magnetic resonance linewidth of /sup 1/H in water of frog muscle was studied as a function of magnetic field strength and angle of orientation. The results suggest that the observed spectra are dominated by demagnetization field anisotropy and dispersion, but a small static dipolar interaction of the order of a few hertz may be present. Data from line-narrowing, multiple-pulse experiments also indicate the presence of a small dipolar broadening.

  19. Modified small angle magnetization rotation method in multilayer magnetic microwires

    NASA Astrophysics Data System (ADS)

    Torrejón, J.; Badini, G.; Pirota, K.; Vázquez, M.

    2007-09-01

    The small angle magnetization rotation (SAMR) technique is a widely used method to quantify magnetostriction in elongated ultrasoft magnetic materials. In the present work, we introduce significant optimization of the method, particularly simplification of the required equipment, profiting of the very peculiar characteristics of a recently introduced family of multilayer magnetic microwires consisting of a soft magnetic core, insulating intermediate layer and a hard magnetic outer layer. The introduced modified SAMR method is used not only to determine the saturation magnetostriction constant of the soft magnetic nucleus but also the magnetoelastic and magnetostatic coupling. This new method has a great potential in multifunctional sensor applications.

  20. Calculations of transonic boattail flow at small angle of attack

    NASA Technical Reports Server (NTRS)

    Nakayama, A.; Chow, W. L.

    1979-01-01

    A transonic flow past a boattailed afterbody under a small angle of attack was examined. It is known that the viscous effect offers significant modifications of the pressure distribution on the afterbody. Thus, the formulation for the inviscid flow was based on the consideration of a flow past a nonaxisymmetric body. The full three dimensional potential equation was solved through numerical relaxation, and quasi-axisymmetric boundary layer calculations were performed to estimate the displacement effect. It was observed again that the viscous effects were not negligible. The trend of the final results agreed well with the experimental data.

  1. Small-angle scattering model for multilamellar vesicles

    SciTech Connect

    Frielinghaus, Henrich

    2007-11-15

    A small-angle neutron-x-ray-light-scattering model for multilamellar vesicles is developed on the basis of a simple geometry. N spherical shells with radii of an arithmetic series are allowed for displacements {delta}R which are limited by {delta}Rsmall displacements {delta}R, but no second order peak is predicted. Only for rather large displacements the correlation peak widens up and shifts to smaller scattering angles. Then the important bilayer spacing is larger. The predictive power of the model lies in the connection of the compactness with N and in the maximum correlation peak sharpness. This model considers many length scales at a time while existing theories focus on length scales of the bilayer spacing and the bilayer itself.

  2. Small Molecule Immunosensing Using Surface Plasmon Resonance

    PubMed Central

    Mitchell, John

    2010-01-01

    Surface plasmon resonance (SPR) biosensors utilize refractive index changes to sensitively detect mass changes at noble metal sensor surface interfaces. As such, they have been extensively applied to immunoassays of large molecules, where their high mass and use of sandwich immunoassay formats can result in excellent sensitivity. Small molecule immunosensing using SPR is more challenging. It requires antibodies or high-mass or noble metal labels to provide the required signal for ultrasensitive assays. Also, it can suffer from steric hindrance between the small antigen and large antibodies. However, new studies are increasingly meeting these and other challenges to offer highly sensitive small molecule immunosensor technologies through careful consideration of sensor interface design and signal enhancement. This review examines the application of SPR transduction technologies to small molecule immunoassays directed to different classes of small molecule antigens, including the steroid hormones, toxins, drugs and explosives residues. Also considered are the matrix effects resulting from measurement in chemically complex samples, the construction of stable sensor surfaces and the development of multiplexed assays capable of detecting several compounds at once. Assay design approaches are discussed and related to the sensitivities obtained. PMID:22163605

  3. Small-angle neutron scattering at pulsed spallation sources

    SciTech Connect

    Seeger, P.A.; Hjelm, R.P. Jr.

    1990-01-01

    The importance of small-angle neutron scattering (SANS) in biological, chemical, physical, and engineering research mandates that all intense neutron sources be equipped with SANS instruments. Four existing instruments are described, and the general differences between pulsed-source and reactor-based instrument designs are discussed. The basic geometries are identical, but dynamic range is achieved by using a broad band of wavelengths (with time-of-flight analysis) rather than by moving the detector. This allows a more optimized collimation system. Data acquisition requirements at a pulsed source are more severe, requiring large, fast histogramming memories. Data reduction is also more complex, as all wave length-dependent and angle-dependent backgrounds and non-linearities must be accounted for before data can be transformed to intensity vs Q. A comparison is shown between the Los Alamos pulsed instrument and D-11 (Institute Laue-Langevin), and examples from the four major topics of the conference are shown. The general conclusion is that reactor-based instruments remain superior at very low Q or if only a narrow range of Q is required, but that the current generation of pulsed-source instruments is competitive at moderate Q and may be faster when a wide range of Q is required. In principle, a user should choose which facility to use on the basis of optimizing the experiment; in practice the tradeoffs are not severe and the choice is usually made on the basis of availability.

  4. Structural investigations of fat fractals using small-angle scattering

    NASA Astrophysics Data System (ADS)

    Anitas, Eugen M.

    2015-01-01

    Experimental small-angle scattering (SAS) data characterized, on a double logarithmic scale, by a succession of power-law decays with decreasing values of scattering exponents, can be described in terms of fractal structures with positive Lebesgue measure (fat fractals). Here we present a theoretical model for fat fractals and show how one can extract structural information about the underlying fractal using SAS method, for the well known fractals existing in the literature: Vicsek and Menger sponge. We calculate analytically the fractal structure factor and study its properties in momentum space. The models allow us to obtain the fractal dimension at each structural level inside the fractal, the number of particles inside the fractal and about the most common distances between the center of mass of the particles.

  5. Small angle neutron scattering studies of vesicle stability

    SciTech Connect

    Mang, J.T.; Hjelm, R.P.

    1997-10-01

    Small angle neutron scattering (SANS) was used to investigate the structure of mixed colloids of egg yolk phosphatidylcholine (EYPC) with the bile salt, cholylglycine (CG), in D{sub 2}O as a function of pressure (P) and temperature (T). At atmospheric pressure, the system forms an isotropic phase of mixed, single bilayer vesicles (SLV`s). Increasing the external hydrostatic pressure brought about significant changes in particle morphology. At T = 25 C, application of a pressure of 3.5 MPa resulted in the collapse of the SLV`s. Further increase of P, up to 51.8 MPa, resulted in a transition from a phase of ordered (stacked), collapsed vesicles to one of stacked, ribbon-like particles. A similar collapse of the vesicles was observed at higher temperature (T = 37 C) with increasing P, but at this temperature, no ribbon phase was found at the highest pressure explored.

  6. Small-angle scattering study of Aspergillus awamori glycoprotein glucoamylase

    NASA Astrophysics Data System (ADS)

    Schmidt, A. E.; Shvetsov, A. V.; Kuklin, A. I.; Lebedev, D. V.; Surzhik, M. A.; Sergeev, V. R.; Isaev-Ivanov, V. V.

    2016-01-01

    Glucoamylase from fungus Aspergillus awamori is glycoside hydrolase that catalyzes the hydrolysis of α-1,4- and α-1,6-glucosidic bonds in glucose polymers and oligomers. This glycoprotein consists of a catalytic domain and a starch-binding domain connected by an O-glycosylated polypeptide chain. The conformation of the linker, the relative arrangement of the domains, and the structure of the full-length enzyme are unknown. The structure of the recombinant glucoamylase GA1 was studied by molecular modelling and small-angle neutron scattering (SANS) methods. The experimental SANS data provide evidence that glucoamylase exists as a monomer in solution and contains a glycoside component, which makes a substantial contribution to the scattering. The model of full-length glucoamylase, which was calculated without taking into account the effect of glycosylation, is consistent with the experimental data and has a radius of gyration of 33.4 ± 0.6 Å.

  7. A novel small-angle neutron scattering detector geometry.

    PubMed

    Kanaki, Kalliopi; Jackson, Andrew; Hall-Wilton, Richard; Piscitelli, Francesco; Kirstein, Oliver; Andersen, Ken H

    2013-08-01

    A novel 2π detector geometry for small-angle neutron scattering (SANS) applications is presented and its theoretical performance evaluated. Such a novel geometry is ideally suited for a SANS instrument at the European Spallation Source (ESS). Motivated by the low availability and high price of (3)He, the new concept utilizes gaseous detectors with (10)B as the neutron converter. The shape of the detector is inspired by an optimization process based on the properties of the conversion material. Advantages over the detector geometry traditionally used on SANS instruments are discussed. The angular and time resolutions of the proposed detector concept are shown to satisfy the requirements of the particular SANS instrument.

  8. A novel small-angle neutron scattering detector geometry

    PubMed Central

    Kanaki, Kalliopi; Jackson, Andrew; Hall-Wilton, Richard; Piscitelli, Francesco; Kirstein, Oliver; Andersen, Ken H.

    2013-01-01

    A novel 2π detector geometry for small-angle neutron scattering (SANS) applications is presented and its theoretical performance evaluated. Such a novel geometry is ideally suited for a SANS instrument at the European Spallation Source (ESS). Motivated by the low availability and high price of 3He, the new concept utilizes gaseous detectors with 10B as the neutron converter. The shape of the detector is inspired by an optimization process based on the properties of the conversion material. Advantages over the detector geometry traditionally used on SANS instruments are discussed. The angular and time resolutions of the proposed detector concept are shown to satisfy the requirements of the particular SANS instrument. PMID:24046504

  9. Small angle scattering from protein/sugar conjugates

    NASA Astrophysics Data System (ADS)

    Jackson, Andrew; White, John

    2006-11-01

    The Maillard reaction between free amine groups on proteins and sugars is well known. We have examined the effect of the reaction of the casein group of milk proteins with sugars on their nanoscale structure and aggregation. The small angle neutron scattering from beta casein and sodium caseinate and their sugar conjugates have been studied as a function of solution concentration. At high conjugate concentration (greater than ca. 5 mg/ml) the addition of sugar reduces supra-micellar aggregation of the protein whilst at lower concentration, where the protein is expected to be deaggregated already, little effect is seen. Guinier analysis of the scattering data show a radius of gyration of around 75 A˚ for beta casein in solution and around 80 A˚ for the sucrose conjugate.

  10. Small Angle Neutron Scattering of Solutions of Arborescent Graft Polymers

    NASA Astrophysics Data System (ADS)

    Choi, Sangwook; Briber, R. M.; Bauer, B. J.; Topp, Andreas; Gauthier, Mario

    1998-03-01

    Arborescent graft polymers are branched macromolecules resulting from successive cycles of chloromethylation and anionic grafting reactions. Small angle neutron scattering (SANS) was used to measure the size and shape of arborescent graft polymers in solution. Guinier plots were used to analyze the data at small q. The radius of gyration of arborescent graft polymers was found to be almost independent of temperature as the solution was cooled towards the phase separation temperature. The optical cloud point temperature was found to be 15 ^0C. At the phase separation temperature two peaks were observed in the I versus q SANS data. The first peak is due to the interference between molecules while the second peak comes from the single particle form factor. The value of q at the peak from the form factor was almost constant as temperature was changed from 40 ^0C to 20 ^0C. The peak position shifted to higher q at the phase separation temperature. This indicates that the size of molecules decreased as the molecules began to aggregate below the phase separation temperature. The value of A2 for arborescent graft polymers was found to be independent of temperature and close to zero.

  11. Using the angle-dependent resonances of molded plasmonic crystals to improve the sensitivities of biosensors.

    PubMed

    Gao, Hanwei; Yang, Jiun-Chan; Lin, Julia Y; Stuparu, Andreea D; Lee, Min Hyung; Mrksich, Milan; Odom, Teri W

    2010-07-14

    This paper describes how angle-dependent resonances from molded plasmonic crystals can be used to improve real-time biosensing. First, an inexpensive and massively parallel approach to create single-use, two-dimensional metal nanopyramidal gratings was developed. Second, although constant in bulk dielectric environments, the sensitivities (resonance wavelength shift and resonance width) of plasmonic crystals to adsorbed molecular layers of varying thickness were found to depend on incident excitation angle. Third, protein binding at dilute concentrations of protein was carried out at an angle that optimized the signal to noise of our plasmonic sensing platform. This angle-dependent sensitivity, which is intrinsic to grating-based sensors, is a critical parameter that can assist in maximizing signal to noise.

  12. Practical applications of small-angle neutron scattering.

    PubMed

    Hollamby, Martin J

    2013-07-14

    Recent improvements in beam-line accessibility and technology have led to small-angle neutron scattering (SANS) becoming more frequently applied to materials problems. SANS has been used to study the assembly, dispersion, alignment and mixing of nanoscale condensed matter, as well as to characterise the internal structure of organic thin films, porous structures and inclusions within steel. Using time-resolved SANS, growth mechanisms in materials systems and soft matter phase transitions can also be explored. This review is intended for newcomers to SANS as well as experts. Therefore, the basic knowledge required for its use is first summarised. After this introduction, various examples are given of the types of soft and hard matter that have been studied by SANS. The information that can be extracted from the data is highlighted, alongside the methods used to obtain it. In addition to presenting the findings, explanations are provided on how the SANS measurements were optimised, such as the use of contrast variation to highlight specific parts of a structure. Emphasis is placed on the use of complementary techniques to improve data quality (e.g. using other scattering methods) and the accuracy of data analysis (e.g. using microscopy to separately determine shape and size). This is done with a view to providing guidance on how best to design and analyse future SANS measurements on materials not listed below. PMID:23552189

  13. Small Angle X-ray Scattering for Nanoparticle Research.

    PubMed

    Li, Tao; Senesi, Andrew J; Lee, Byeongdu

    2016-09-28

    X-ray scattering is a structural characterization tool that has impacted diverse fields of study. It is unique in its ability to examine materials in real time and under realistic sample environments, enabling researchers to understand morphology at nanometer and angstrom length scales using complementary small and wide angle X-ray scattering (SAXS, WAXS), respectively. Herein, we focus on the use of SAXS to examine nanoscale particulate systems. We provide a theoretical foundation for X-ray scattering, considering both form factor and structure factor, as well as the use of correlation functions, which may be used to determine a particle's size, size distribution, shape, and organization into hierarchical structures. The theory is expanded upon with contemporary use cases. Both transmission and reflection (grazing incidence) geometries are addressed, as well as the combination of SAXS with other X-ray and non-X-ray characterization tools. We conclude with an examination of several key areas of research where X-ray scattering has played a pivotal role, including in situ nanoparticle synthesis, nanoparticle assembly, and operando studies of catalysts and energy storage materials. Throughout this review we highlight the unique capabilities of X-ray scattering for structural characterization of materials in their native environment.

  14. Small angle x-ray scattering with edge-illumination

    PubMed Central

    Modregger, Peter; Cremona, Tiziana P.; Benarafa, Charaf; Schittny, Johannes C.; Olivo, Alessandro; Endrizzi, Marco

    2016-01-01

    Sensitivity to sub-pixel sample features has been demonstrated as a valuable capability of phase contrast x-ray imaging. Here, we report on a method to obtain angular-resolved small angle x-ray scattering distributions with edge-illumination- based imaging utilizing incoherent illumination from an x-ray tube. Our approach provides both the three established image modalities (absorption, differential phase and scatter strength), plus a number of additional contrasts related to unresolved sample features. The complementarity of these contrasts is experimentally validated by using different materials in powder form. As a significant application example we show that the extended complementary contrasts could allow the diagnosis of pulmonary emphysema in a murine model. In support of this, we demonstrate that the properties of the retrieved scattering distributions are consistent with the expectation of increased feature sizes related to pulmonary emphysema. Combined with the simplicity of implementation of edge-illumination, these findings suggest a high potential for exploiting extended sub-pixel contrasts in the diagnosis of lung diseases and beyond. PMID:27491917

  15. New Very Small Angle Neutron Scattering (VSANS) Instrument

    NASA Astrophysics Data System (ADS)

    Van Every, E.; Deyhim, A.; Kulesza, J.

    2016-09-01

    The design of a new Very Small Angle Neutron Scattering (VSANS) Instrument for use in National Institute of Standards And Technology (NIST) will be discussed. This instrument is similar to a shorter instrument we designed and delivered to ANSTO in Australia called the Bilby SANS instrument. The NIST VSANS and the ANSTO Bilby SANS instruments have very similar dimensions for length and diameter and have similar requirements for internal detector motion, top access port, walkway supports, and ports; however, the Bilby SANS instrument vacuum requirement was lower (7.5×10-5 Torr) and the entire (60,000 pound) vessel was required to move 1.5 meters on external rails with a repeatability of 100 um, which ADC achieved. The NIST VSANS length is 24 meter, internal diameter 2.3 meter with three internal carriages. The NIST VSANS instrument, which covers the usual SANS range will also allow configuration to cover the range between q ∼⃒ 10-4 A-1 to 10-3 A-1 with a sample beam current of (104 neutrons/s). The key requirements are a second position-sensitive detector system having a 1 mm pixel size and a longer sample-detector flight path of 20 m (i.e., a 40 m instrument).

  16. Magnetic small-angle neutron scattering of bulk ferromagnets.

    PubMed

    Michels, Andreas

    2014-09-24

    We summarize recent theoretical and experimental work in the field of magnetic small-angle neutron scattering (SANS) of bulk ferromagnets. The response of the magnetization to spatially inhomogeneous magnetic anisotropy and magnetostatic stray fields is computed using linearized micromagnetic theory, and the ensuing spin-misalignment SANS is deduced. Analysis of experimental magnetic-field-dependent SANS data of various nanocrystalline ferromagnets corroborates the usefulness of the approach, which provides important quantitative information on the magnetic-interaction parameters such as the exchange-stiffness constant, the mean magnetic anisotropy field, and the mean magnetostatic field due to jumps ΔM of the magnetization at internal interfaces. Besides the value of the applied magnetic field, it turns out to be the ratio of the magnetic anisotropy field Hp to ΔM, which determines the properties of the magnetic SANS cross-section of bulk ferromagnets; specifically, the angular anisotropy on a two-dimensional detector, the asymptotic power-law exponent, and the characteristic decay length of spin-misalignment fluctuations. For the two most often employed scattering geometries where the externally applied magnetic field H0 is either perpendicular or parallel to the wave vector k0 of the incoming neutron beam, we provide a compilation of the various unpolarized, half-polarized (SANSPOL), and uniaxial fully-polarized (POLARIS) SANS cross-sections of magnetic materials. PMID:25180625

  17. Ultra-small-angle neutron scattering with azimuthal asymmetry

    PubMed Central

    Gu, X.; Mildner, D. F. R.

    2016-01-01

    Small-angle neutron scattering (SANS) measurements from thin sections of rock samples such as shales demand as great a scattering vector range as possible because the pores cover a wide range of sizes. The limitation of the scattering vector range for pinhole SANS requires slit-smeared ultra-SANS (USANS) measurements that need to be converted to pinhole geometry. The desmearing algorithm is only successful for azimuthally symmetric data. Scattering from samples cut parallel to the plane of bedding is symmetric, exhibiting circular contours on a two-dimensional detector. Samples cut perpendicular to the bedding show elliptically dependent contours with the long axis corresponding to the normal to the bedding plane. A method is given for converting such asymmetric data collected on a double-crystal diffractometer for concatenation with the usual pinhole-geometry SANS data. The aspect ratio from the SANS data is used to modify the slit-smeared USANS data to produce quasi-symmetric contours. Rotation of the sample about the incident beam may result in symmetric data but cannot extract the same information as obtained from pinhole geometry. PMID:27275140

  18. Small angle elastic scattering of protons off of spinless nuclei

    SciTech Connect

    Ling, A.G.

    1988-07-01

    Elastic differential cross sections and analyzing powers for 800 MeV protons incident on /sup 12/C, /sup 40/Ca, and /sup 208/Pb in the momentum transfer range 20 MeV/c < q < 130 MeV/c have been measured. The data was taken with the High Resolution Spectrometer (HRS) at the Los Alamos Meson Physics Facility. Special delay-line drift chambers with dead regions for the beam to pass through them were used to obtain the data. Through the interference of the Coulomb and nuclear contributions to the differential cross section in the small angle region, the ratio of the real to imaginary part of the forward nuclear amplitude ..cap alpha../sub n/(0) = Ref/sub n/(0)/Imf/sub n/(0) is extracted. The importance of knowing this quantity at lower energies in order to study the differences between relativistic and non-relativistic scattering theories is discussed. 130 refs., 60 figs., 12 tabs.

  19. Small angle x-ray scattering with edge-illumination

    NASA Astrophysics Data System (ADS)

    Modregger, Peter; Cremona, Tiziana P.; Benarafa, Charaf; Schittny, Johannes C.; Olivo, Alessandro; Endrizzi, Marco

    2016-08-01

    Sensitivity to sub-pixel sample features has been demonstrated as a valuable capability of phase contrast x-ray imaging. Here, we report on a method to obtain angular-resolved small angle x-ray scattering distributions with edge-illumination- based imaging utilizing incoherent illumination from an x-ray tube. Our approach provides both the three established image modalities (absorption, differential phase and scatter strength), plus a number of additional contrasts related to unresolved sample features. The complementarity of these contrasts is experimentally validated by using different materials in powder form. As a significant application example we show that the extended complementary contrasts could allow the diagnosis of pulmonary emphysema in a murine model. In support of this, we demonstrate that the properties of the retrieved scattering distributions are consistent with the expectation of increased feature sizes related to pulmonary emphysema. Combined with the simplicity of implementation of edge-illumination, these findings suggest a high potential for exploiting extended sub-pixel contrasts in the diagnosis of lung diseases and beyond.

  20. Characterization of photosynthetic supramolecular assemblies using small angle neutron scattering

    SciTech Connect

    Tiede, D.M.; Marone, P.; Wagner, A.M.; Thiyagarajan, P.

    1995-12-31

    We are using small angle neutron scattering (SANS) to resolve structural features of supramolecular assemblies of photosynthetic proteins in liquid and frozen solutions. SANS resolves the size, shape, and structural homogeneity of macromolecular assemblies in samples identical to those used for spectroscopic assays of photosynthetic function. Likely molecular structures of the supramolecular assemblies can be identified by comparing experimental scattering data with scattering profiles calculated for model supramolecular assemblies built from crystal structures of the individual proteins. SANS studies of the Rhodobacter sphaeroides reaction center, RC, presented here, show that the detergent solubilized RC exists in a variety of monomeric and aggregation states. The distribution between monomer and aggregate was found to depend strongly upon detergent, temperature and nature of additives, such as ethylene glycol used for low temperature spectroscopy and polyethylene glycol used for crystallization. Likely aggregate structures are being identified by fitting the experimental scattering profiles with those calculated for model aggregates built-up using the RC crystal structure. This work establishes the foundation for using SANS to identify intermediates in the RC crystallization pathways, and for determining likely structures of complexes formed between the RC and its physiological reaction partners, cytochrome c, and the LHI antenna complex.

  1. Small angle x-ray scattering with edge-illumination.

    PubMed

    Modregger, Peter; Cremona, Tiziana P; Benarafa, Charaf; Schittny, Johannes C; Olivo, Alessandro; Endrizzi, Marco

    2016-01-01

    Sensitivity to sub-pixel sample features has been demonstrated as a valuable capability of phase contrast x-ray imaging. Here, we report on a method to obtain angular-resolved small angle x-ray scattering distributions with edge-illumination- based imaging utilizing incoherent illumination from an x-ray tube. Our approach provides both the three established image modalities (absorption, differential phase and scatter strength), plus a number of additional contrasts related to unresolved sample features. The complementarity of these contrasts is experimentally validated by using different materials in powder form. As a significant application example we show that the extended complementary contrasts could allow the diagnosis of pulmonary emphysema in a murine model. In support of this, we demonstrate that the properties of the retrieved scattering distributions are consistent with the expectation of increased feature sizes related to pulmonary emphysema. Combined with the simplicity of implementation of edge-illumination, these findings suggest a high potential for exploiting extended sub-pixel contrasts in the diagnosis of lung diseases and beyond. PMID:27491917

  2. Physical characteristics of human transferrin from small angle neutron scattering.

    PubMed Central

    Martel, P; Kim, S M; Powell, B M

    1980-01-01

    The technique of small angle neutron scattering has been used to determine the molecular shape, the volume, and the molecular weight of pooled human transferrin in an aqueous solution isotonic with blood. Analysis of the measurements assuming a spheroidal molecular shape indicates that an oblate spheroid with semi-axes of length 46.6 +/- 1.4, 46.6 +/- 1.4 and 15.8 +/- 3.8 A, and a molecular volume of (144 +/- 45) X 10(3) A3 is the best simple approximation to the shape of the transferrin molecule. The radius of gyration, Rg, determined from a Guinier plot is 30.25 +/- 0.49 A, in agreement with Rg calculated for the oblate spheroidal shape. The molecular weight is determined to be (75 +/- 5) X 10(3). The shape-independent molecular volume is found to be (98 +/- 10) X 10(3) A3. The difference in the two volumes suggests that transferrin is not a uniform spheroid but may have a more complex shape. PMID:7260293

  3. Cryocup - Compact spherical neutron polarimetry device for small angle measurement

    NASA Astrophysics Data System (ADS)

    Wang, Tianhao

    In my thesis I describe my research work of developing a compact device for Spherical Neutron Polarimetry (SNP) measurements at small neutron scattering angles. The thesis first introduced the purpose of this research project, which is developing an easy to use and maintain version of an advanced neutron experiment technique (SNP). After the introduction, the design principle and construction detail of the prototype device is demonstrated. The design principle is based on our finite element simulation of the device's magnetic field profile, and is later verified by the performance test experiment. The prototype device is tested at the SESAME neutron beamline at Indiana University and the HB-2D beamline at Oak Ridge National laboratory. The performance test data are analyzed and proof that the design is successful and the prototype is capable of perform accurate SNP measurement. Based on the test result, the prototype device is utilized to perform SNP measurement on two types of magnetic film sample: Permalloy and Metglas. Combined with other characterization method such as SQUID and MFM, I study the magnetization of these two samples both at zero magnetic field environment and in external field. The SNP data provided by the prototype device is discussed in the thesis and provide detailed information about the magnetization, which is also not accessible through other method. In the end, the possible improvement and the future application of the device is discussed.

  4. Practical applications of small-angle neutron scattering.

    PubMed

    Hollamby, Martin J

    2013-07-14

    Recent improvements in beam-line accessibility and technology have led to small-angle neutron scattering (SANS) becoming more frequently applied to materials problems. SANS has been used to study the assembly, dispersion, alignment and mixing of nanoscale condensed matter, as well as to characterise the internal structure of organic thin films, porous structures and inclusions within steel. Using time-resolved SANS, growth mechanisms in materials systems and soft matter phase transitions can also be explored. This review is intended for newcomers to SANS as well as experts. Therefore, the basic knowledge required for its use is first summarised. After this introduction, various examples are given of the types of soft and hard matter that have been studied by SANS. The information that can be extracted from the data is highlighted, alongside the methods used to obtain it. In addition to presenting the findings, explanations are provided on how the SANS measurements were optimised, such as the use of contrast variation to highlight specific parts of a structure. Emphasis is placed on the use of complementary techniques to improve data quality (e.g. using other scattering methods) and the accuracy of data analysis (e.g. using microscopy to separately determine shape and size). This is done with a view to providing guidance on how best to design and analyse future SANS measurements on materials not listed below.

  5. Advanced slow-magic angle spinning probe for magnetic resonance imaging and spectroscopy

    DOEpatents

    Wind, Robert A.; Hu, Jian Zhi; Minard, Kevin R.; Rommereim, Donald N.

    2006-01-24

    The present invention relates to a probe and processes useful for magnetic resonance imaging and spectroscopy instruments. More particularly, the invention relates to a MR probe and processes for obtaining resolution enhancements of fluid objects, including live specimens, using an ultra-slow (magic angle) spinning (MAS) of the specimen combined with a modified phase-corrected magic angle turning (PHORMAT) pulse sequence. Proton NMR spectra were measured of the torso and the top part of the belly of a female BALBc mouse in a 2T field, while spinning the animal at a speed of 1.5 Hz. Results show that even in this relatively low field with PHORMAT, an isotropic spectrum is obtained with line widths that are a factor 4.6 smaller than those obtained in a stationary mouse. Resolution of 1H NMR metabolite spectra are thus significantly enhanced. Results indicate that PHORMAT has the potential to significantly increase the utility of 1H NMR spectroscopy for in vivo biochemical, biomedical and/or medical applications involving large-sized biological objects such as mice, rats and even humans within a hospital setting. For small-sized objects, including biological objects, such as excised tissues, organs, live bacterial cells, and biofilms, use of PASS at a spinning rate of 30 Hz and above is preferred.

  6. Automated small tilt-angle measurement using Lau interferometry

    SciTech Connect

    Prakash, Shashi; Singh, Sumitra; Rana, Santosh

    2005-10-01

    A technique for a tilt-angle measurement of reflecting objects based on the Lau interferometry coupled with the moire readout has been proposed. A white-light incoherent source illuminates a set of two gratings, resulting in the generation of the Fresnel image due to the Lau effect. The Fresnel image is projected onto a reflecting object. The image reflected from the object is superimposed onto an identical grating, which results in the formation of a moire fringe pattern. The inclination angle of moire fringes is a function of tilt angle of the object. Theory and experimental arrangement of the proposed technique is presented and results of the investigation are reported.

  7. Double-quantum homonuclear rotary resonance: Efficient dipolar recovery in magic-angle spinning nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Nielsen, N. C.; Bildsøe, H.; Jakobsen, H. J.; Levitt, M. H.

    1994-08-01

    We describe an efficient method for the recovery of homonuclear dipole-dipole interactions in magic-angle spinning NMR. Double-quantum homonuclear rotary resonance (2Q-HORROR) is established by fulfilling the condition ωr=2ω1, where ωr is the sample rotation frequency and ω1 is the nutation frequency around an applied resonant radio frequency (rf) field. This resonance can be used for double-quantum filtering and measurement of homonuclear dipolar interactions in the presence of magic-angle spinning. The spin dynamics depend only weakly on crystallite orientation allowing good performance for powder samples. Chemical shift effects are suppressed to zeroth order. The method is demonstrated for singly and doubly 13C labeled L-alanine.

  8. High-pressure magic angle spinning nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Hoyt, David W.; Turcu, Romulus V. F.; Sears, Jesse A.; Rosso, Kevin M.; Burton, Sarah D.; Felmy, Andrew R.; Hu, Jian Zhi

    2011-10-01

    A high-pressure magic angle spinning (MAS) NMR capability, consisting of a reusable high-pressure MAS rotor, a high-pressure rotor loading/reaction chamber for in situ sealing and re-opening of the high-pressure MAS rotor, and a MAS probe with a localized RF coil for background signal suppression, is reported. The unusual technical challenges associated with development of a reusable high-pressure MAS rotor are addressed in part by modifying standard ceramics for the rotor sleeve by abrading the internal surface at both ends of the cylinder. In this way, not only is the advantage of ceramic cylinders for withstanding very high-pressure utilized, but also plastic bushings can be glued tightly in place so that other removable plastic sealing mechanisms/components and O-rings can be mounted to create the desired high-pressure seal. Using this strategy, sealed internal pressures exceeding 150 bars have been achieved and sustained under ambient external pressure with minimal loss of pressure for 72 h. As an application example, in situ13C MAS NMR studies of mineral carbonation reaction intermediates and final products of forsterite (Mg 2SiO 4) reacted with supercritical CO 2 and H 2O at 150 bar and 50 °C are reported, with relevance to geological sequestration of carbon dioxide.

  9. High-pressure magic angle spinning nuclear magnetic resonance.

    PubMed

    Hoyt, David W; Turcu, Romulus V F; Sears, Jesse A; Rosso, Kevin M; Burton, Sarah D; Felmy, Andrew R; Hu, Jian Zhi

    2011-10-01

    A high-pressure magic angle spinning (MAS) NMR capability, consisting of a reusable high-pressure MAS rotor, a high-pressure rotor loading/reaction chamber for in situ sealing and re-opening of the high-pressure MAS rotor, and a MAS probe with a localized RF coil for background signal suppression, is reported. The unusual technical challenges associated with development of a reusable high-pressure MAS rotor are addressed in part by modifying standard ceramics for the rotor sleeve by abrading the internal surface at both ends of the cylinder. In this way, not only is the advantage of ceramic cylinders for withstanding very high-pressure utilized, but also plastic bushings can be glued tightly in place so that other removable plastic sealing mechanisms/components and O-rings can be mounted to create the desired high-pressure seal. Using this strategy, sealed internal pressures exceeding 150 bars have been achieved and sustained under ambient external pressure with minimal loss of pressure for 72 h. As an application example, in situ(13)C MAS NMR studies of mineral carbonation reaction intermediates and final products of forsterite (Mg(2)SiO(4)) reacted with supercritical CO(2) and H(2)O at 150 bar and 50°C are reported, with relevance to geological sequestration of carbon dioxide. PMID:21862372

  10. High-pressure magic angle spinning nuclear magnetic resonance

    SciTech Connect

    Hoyt, David W.; Turcu, Romulus V. F.; Sears, Jesse A.; Rosso, Kevin M.; Burton, Sarah D.; Felmy, Andrew R.; Hu, Jian Zhi

    2011-10-01

    A high-pressure magic angle spinning (MAS) NMR capability, consisting of a reusable high-pressure MAS rotor, a high-pressure rotor loading/reaction chamber for in situ sealing and re-opening of the high-pressure MAS rotor, and a MAS probe with a localized RF coil for background signal suppression, is reported. The unusual technical challenges associated with development of a reusable high-pressure MAS rotor are addressed in part by modifying standard ceramics for the rotor sleeve by abrading the internal surface at both ends of the cylinder. In this way, not only is the advantage of ceramic cylinders for withstanding very high-pressure utilized, but also plastic bushings can be glued tightly in place so that other removable plastic sealing mechanisms/components and O-rings can be mounted to create the desired high-pressure seal. Using this strategy, sealed internal pressures exceeding 150 bars have been achieved and sustained under ambient external pressure with minimal loss of pressure for 72 h. Finally, as an application example, in situ13C MAS NMR studies of mineral carbonation reaction intermediates and final products of forsterite (Mg2SiO4) reacted with supercritical CO2 and H2O at 150 bar and 50 °C are reported, with relevance to geological sequestration of carbon dioxide.

  11. PITCH-ANGLE SCATTERING: RESONANCE VERSUS NONRESONANCE, A BASIC TEST OF THE QUASILINEAR DIFFUSIVE RESULT

    SciTech Connect

    Ragot, B. R.

    2012-01-01

    Due to the very broad range of the scales available for the development of turbulence in space and astrophysical plasmas, the energy at the resonant scales of wave-particle interaction often constitutes only a tiny fraction of the total magnetic turbulent energy. Despite the high efficiency of resonant wave-particle interaction, one may therefore question whether resonant interaction really is the determining interaction process between particles and turbulent fields. By evaluating and comparing resonant and nonresonant effects in the frame of a quasilinear calculation, the dominance of resonance is here put to the test. By doing so, a basic test of the classical resonant quasilinear diffusive result for the pitch-angle scattering of charged energetic particles is also performed.

  12. The design of large separating angle ultracompact wavelength division demultiplexer based on photonic crystal ring resonators

    NASA Astrophysics Data System (ADS)

    Qing-Hua, Liao; Hong-Ming, Fan; Shu-Wen, Chen; Tong-Biao, Wang; Tian-Bao, Yu; Yong-Zhen, Huang

    2014-11-01

    The paper presents the design and simulation of a new and large separating angle ultracompact wavelength division demultiplexer based on the coupling characteristics between the waveguide and ring resonators in two dimensional photonic crystals. The transmission properties of the wavelength division demultiplexers, which ring resonators are both located on the same or different sides of input waveguide, have been numerically studied using the finite difference time domain method. It is shown that a good wavelength selection performance, a high transmittance, a large separating angle and high efficiency of the output channels may be obtained in this flexible structure.

  13. Small roll angle measurement based on auto-collimation and moiré fringe

    NASA Astrophysics Data System (ADS)

    Bai, Xu-guang; Cai, Sheng; Qiao, Yan-feng; Dai, Ming

    2009-11-01

    A novel method for small roll angle measurement based on auto-collimation and moiré fringe is presented. A right-angle prism is used as an indicator of small roll angle around the optical axis, and a CCD is used to collect moiré fringes that are generated by scale grating image which is reflected by prism and index grating. Any small roll angle of the prism will change the include angle of the grating pair and meanwhile induce a change in the moiré fringe period. The relationship between roll angle and period of moiré fringes is established. The period data is obtained by image processing. The experimental result certifies that the principle of small angle measurement method based on auto-collimation and moiré fringe is correct and feasible. The measuring error is smaller than 0.2" within 7' range compared with 0.2" autocollimator.

  14. Small Animal Imaging with Magnetic Resonance Microscopy

    PubMed Central

    Driehuys, Bastiaan; Nouls, John; Badea, Alexandra; Bucholz, Elizabeth; Ghaghada, Ketan; Petiet, Alexandra; Hedlund, Laurence W.

    2009-01-01

    Small animal magnetic resonance microscopy (MRM) has evolved significantly from testing the boundaries of imaging physics to its expanding use today as a tool in non-invasive biomedical investigations. This review is intended to capture the state-of-the-art in MRM for scientists who may be unfamiliar with this modality, but who want to apply its capabilities to their research. We therefore include a brief review of MR concepts and methods of animal handling and support before covering a range of MRM applications including the heart, lung, brain, and the emerging field of MR histology. High-resolution anatomical imaging reveals increasingly exquisite detail in healthy animals and subtle architectural aberrations that occur in genetically altered models. Resolution of 100 µm in all dimensions is now routinely attained in living animals, and 10 µm3 is feasible in fixed specimens. Such images almost rival conventional histology while allowing the object to be viewed interactively in any plane. MRM is now increasingly used to provide functional information in living animals. Images of the beating heart, breathing lung, and functioning brain can be recorded. While clinical MRI focuses on diagnosis, MRM is used to reveal fundamental biology or to non-invasively measure subtle changes in the structure or function of organs during disease progression or in response to experimental therapies. The ability of MRM to provide a detailed functional and anatomical picture in rats and mice, and to track this picture over time, makes it a promising platform with broad applications in biomedical research. PMID:18172332

  15. Direct detection of resonant electron pitch angle scattering by whistler waves in a laboratory plasma.

    PubMed

    Van Compernolle, B; Bortnik, J; Pribyl, P; Gekelman, W; Nakamoto, M; Tao, X; Thorne, R M

    2014-04-11

    Resonant interactions between energetic electrons and whistler mode waves are an essential ingredient in the space environment, and in particular in controlling the dynamic variability of Earth's natural radiation belts, which is a topic of extreme interest at the moment. Although the theory describing resonant wave-particle interaction has been present for several decades, it has not been hitherto tested in a controlled laboratory setting. In the present Letter we report on the first laboratory experiment to directly detect resonant pitch angle scattering of energetic (∼keV) electrons due to whistler mode waves. We show that the whistler mode wave deflects energetic electrons at precisely the predicted resonant energy, and that varying both the maximum beam energy, and the wave frequency, alters the energetic electron beam very close to the resonant energy.

  16. Sealed magic angle spinning nuclear magnetic resonance probe and process for spectroscopy of hazardous samples

    DOEpatents

    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.

  17. Distributed fiber surface plasmon resonance sensor based on the incident angle adjusting method.

    PubMed

    Liu, Zhihai; Wei, Yong; Zhang, Yu; Liu, Chunlan; Zhang, Yaxun; Zhao, Enming; Yang, Jun; Liu, Chunyu; Yuan, Libo

    2015-10-01

    We propose and demonstrate a distributed surface plasmon resonance (SPR) fiber sensor based on a novel, simple, and effective incident angle adjusting method. For normal fiber SPR sensors, it is hard to realize distributed sensing because it is hard to produce two dynamic ranges (resonance wavebands) with a great difference. The dynamic range depends on the incident angle, and therefore, we propose an incident angle adjusting method that is implemented by grinding an eccentric-core fiber to different angles, which helps to produce different SPR wavebands with great difference, thus realizing distributed sensing. In our two cascaded distributed configuration, with the refractive index range of 1.333-1.385, the fiber grind angles are 9° and 17°, the testing wavelength ranges are 613-760 nm and 745-944 nm, and the average testing sensitivities are 2826 nm/RIU and 4738 nm/RIU, respectively. Larger resonance wavelengths are associated with larger testing sensitivities. This distributed fiber sensor has important significance in the fields of multichannel liquid refractive indices and temperature self-reference measurements. PMID:26421554

  18. The use of view angle tilting to reduce distortions in magnetic resonance imaging of cryosurgery.

    PubMed

    Daniel, B L; Butts, K

    2000-04-01

    Susceptibility artifacts from magnetic resonance (MR)-compatible cryoprobes can distort MR images of iceballs. In this work, we investigate the ability of view angle tilting (VAT) to correct susceptibility induced distortions in MR images of cryosurgery. The efficacy of VAT was tested in an ex vivo bovine liver model of cryosurgery using MR-compatible cryoprobes. Artifacts on high bandwidth fast spin echo images of freezing obtained with and without VAT were compared with photographs of the actual iceball shape and size. In vivo imaging with VAT was demonstrated during percutaneous MR-guided cryosurgery of pig liver and brain. VAT was most successful in reducing probe and iceball distortions when the imaging plane was normal to the cryoprobe, and the cryoprobe was perpendicular to the main magnetic field of the scanner. VAT had the greatest benefit when used to correct MR images of freezing when the surface of the iceball was relatively near to the cryoprobe. For large iceballs, the artifact was small so the VAT correction was less important. We conclude that VAT significantly reduced distortions in the shape of the signal void corresponding to the extent of freezing visualized during MR-guided cryosurgery. This improved ability to visualize the exact location of the cryoprobe, as well as the precise shape of the iceball, particularly during initial freezing when the iceball is small, has potential to significantly improve the accuracy of MR-guided cryosurgery of small lesions, and the accuracy of MR-assisted temperature calculations that are based on precise imaging of the probe location, and boundary geometry of the iceball.

  19. Method for high resolution magnetic resonance analysis using magic angle technique

    DOEpatents

    Wind, Robert A.; Hu, Jian Zhi

    2004-12-28

    A method of performing a magnetic resonance analysis of a biological object that includes placing the object in a main magnetic field (that has a static field direction) and in a radio frequency field; rotating the object at a frequency of less than about 100 Hz around an axis positioned at an angle of about 54.degree.44' relative to the main magnetic static field direction; pulsing the radio frequency to provide a sequence that includes a phase-corrected magic angle turning pulse segment; and collecting data generated by the pulsed radio frequency. The object may be reoriented about the magic angle axis between three predetermined positions that are related to each other by 120.degree.. The main magnetic field may be rotated mechanically or electronically. Methods for magnetic resonance imaging of the object are also described.

  20. Method for high resolution magnetic resonance analysis using magic angle technique

    DOEpatents

    Wind, Robert A.; Hu, Jian Zhi

    2003-12-30

    A method of performing a magnetic resonance analysis of a biological object that includes placing the object in a main magnetic field (that has a static field direction) and in a radio frequency field; rotating the object at a frequency of less than about 100 Hz around an axis positioned at an angle of about 54.degree.44' relative to the main magnetic static field direction; pulsing the radio frequency to provide a sequence that includes a phase-corrected magic angle turning pulse segment; and collecting data generated by the pulsed radio frequency. The object may be reoriented about the magic angle axis between three predetermined positions that are related to each other by 120.degree.. The main magnetic field may be rotated mechanically or electronically. Methods for magnetic resonance imaging of the object are also described.

  1. High resolution triple resonance micro magic angle spinning NMR spectroscopy of nanoliter sample volumes.

    PubMed

    Brauckmann, J Ole; Janssen, J W G Hans; Kentgens, Arno P M

    2016-02-14

    To be able to study mass-limited samples and small single crystals, a triple resonance micro-magic angle spinning (μMAS) probehead for the application of high-resolution solid-state NMR of nanoliter samples was developed. Due to its excellent rf performance this allows us to explore the limits of proton NMR resolution in strongly coupled solids. Using homonuclear decoupling we obtain unprecedented (1)H linewidths for a single crystal of glycine (Δν(CH2) = 0.14 ppm) at high field (20 T) in a directly detected spectrum. The triple channel design allowed the recording of high-resolution μMAS (13)C-(15)N correlations of [U-(13)C-(15)N] arginine HCl and shows that the superior (1)H resolution opens the way for high-sensitivity inverse detection of heteronuclei even at moderate spinning speeds and rf-fields. Efficient decoupling leads to long coherence times which can be exploited in many correlation experiments.

  2. Versatile wide angle diffraction setup for simultaneous wide and small angle x-ray scattering measurements with synchrotron radiation

    SciTech Connect

    Rueda, D.R.; Garcia-Gutierrez, M.C.; Nogales, A.; Capitan, M.J.; Ezquerra, T.A.; Labrador, A.; Fraga, E.; Beltran, D.; Juanhuix, J.; Herranz, J.F.; Bordas, J.

    2006-03-15

    Here we present a novel, simple, and versatile experimental setup aimed to perform wide angle x-ray scattering (WAXS) measurements alone or in simultaneous combination with small angle x-ray scattering measurements. The design of the WAXS goniometer allows one to obtain high resolution diffraction patterns in a broad angular range. The setup can incorporate a hot stage in order to evaluate temperature resolved experiments. The performance of the equipment has been verified in the BM16 beam line of the European Synchrotron Radiation Facility with different well known samples such as alumina, isotropic film of high density polyethylene (HDPE), and oriented HPDE fiber.

  3. Asymmetric Domain Walls of Small Angle in Soft Ferromagnetic Films

    NASA Astrophysics Data System (ADS)

    Döring, Lukas; Ignat, Radu

    2016-05-01

    We focus on a special type of domain wall appearing in the Landau-Lifshitz theory for soft ferromagnetic films. These domain walls are divergence-free S^2-valued transition layers that connect two directions {m_θ^± in S^2} (differing by an angle {2θ}) and minimize the Dirichlet energy. Our main result is the rigorous derivation of the asymptotic structure and energy of such "asymmetric" domain walls in the limit {θ downarrow 0}. As an application, we deduce that a supercritical bifurcation causes the transition from symmetric to asymmetric walls in the full micromagnetic model.

  4. The accurate assessment of small-angle X-ray scattering data

    DOE PAGES

    Grant, Thomas D.; Luft, Joseph R.; Carter, Lester G.; Matsui, Tsutomu; Weiss, Thomas M.; Martel, Anne; Snell, Edward H.

    2015-01-23

    Small-angle X-ray scattering (SAXS) has grown in popularity in recent times with the advent of bright synchrotron X-ray sources, powerful computational resources and algorithms enabling the calculation of increasingly complex models. However, the lack of standardized data-quality metrics presents difficulties for the growing user community in accurately assessing the quality of experimental SAXS data. Here, a series of metrics to quantitatively describe SAXS data in an objective manner using statistical evaluations are defined. These metrics are applied to identify the effects of radiation damage, concentration dependence and interparticle interactions on SAXS data from a set of 27 previously described targetsmore » for which high-resolution structures have been determined via X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy. Studies show that these metrics are sufficient to characterize SAXS data quality on a small sample set with statistical rigor and sensitivity similar to or better than manual analysis. The development of data-quality analysis strategies such as these initial efforts is needed to enable the accurate and unbiased assessment of SAXS data quality.« less

  5. The accurate assessment of small-angle X-ray scattering data

    SciTech Connect

    Grant, Thomas D.; Luft, Joseph R.; Carter, Lester G.; Matsui, Tsutomu; Weiss, Thomas M.; Martel, Anne; Snell, Edward H.

    2015-01-23

    Small-angle X-ray scattering (SAXS) has grown in popularity in recent times with the advent of bright synchrotron X-ray sources, powerful computational resources and algorithms enabling the calculation of increasingly complex models. However, the lack of standardized data-quality metrics presents difficulties for the growing user community in accurately assessing the quality of experimental SAXS data. Here, a series of metrics to quantitatively describe SAXS data in an objective manner using statistical evaluations are defined. These metrics are applied to identify the effects of radiation damage, concentration dependence and interparticle interactions on SAXS data from a set of 27 previously described targets for which high-resolution structures have been determined via X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy. Studies show that these metrics are sufficient to characterize SAXS data quality on a small sample set with statistical rigor and sensitivity similar to or better than manual analysis. The development of data-quality analysis strategies such as these initial efforts is needed to enable the accurate and unbiased assessment of SAXS data quality.

  6. The accurate assessment of small-angle X-ray scattering data

    SciTech Connect

    Grant, Thomas D.; Luft, Joseph R.; Carter, Lester G.; Matsui, Tsutomu; Weiss, Thomas M.; Martel, Anne; Snell, Edward H.

    2015-01-01

    A set of quantitative techniques is suggested for assessing SAXS data quality. These are applied in the form of a script, SAXStats, to a test set of 27 proteins, showing that these techniques are more sensitive than manual assessment of data quality. Small-angle X-ray scattering (SAXS) has grown in popularity in recent times with the advent of bright synchrotron X-ray sources, powerful computational resources and algorithms enabling the calculation of increasingly complex models. However, the lack of standardized data-quality metrics presents difficulties for the growing user community in accurately assessing the quality of experimental SAXS data. Here, a series of metrics to quantitatively describe SAXS data in an objective manner using statistical evaluations are defined. These metrics are applied to identify the effects of radiation damage, concentration dependence and interparticle interactions on SAXS data from a set of 27 previously described targets for which high-resolution structures have been determined via X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy. The studies show that these metrics are sufficient to characterize SAXS data quality on a small sample set with statistical rigor and sensitivity similar to or better than manual analysis. The development of data-quality analysis strategies such as these initial efforts is needed to enable the accurate and unbiased assessment of SAXS data quality.

  7. A new approach to quantification of metamorphism using ultra-small and small angle neutron scattering.

    SciTech Connect

    Anovitz, Lawrence {Larry} M; Lynn, Gary W; Cole, David R

    2009-12-01

    In this paper we report the results of a study using small angle and ultra-small angle neutron scattering techniques (SANS and USANS) to examine the evolution of carbonates during contact metamorphism. Data were obtained from samples collected along two transects in the metamorphosed Hueco limestone at the Marble Canyon, Texas, contact aureole. These samples were collected from the igneous contact out to {approx}1700 m. Scattering curves obtained from these samples show mass fractal behavior at low scattering vectors, and surface fractal behavior at high scattering vectors. Significant changes are observed in the surface and mass fractal dimensions as well as the correlation lengths (pore and grain sizes), surface area to volume ratio and surface Gibbs Free energy as a function of distance, including regions of the aureole outside the range of classic metamorphic petrology. A change from mass-fractal to non-fractal behavior is observed at larger scales near the outer boundary of the aureole that implies significant reorganization of pore distributions early in the metamorphic history. Surface fractal results suggest significant smoothing of grain boundaries, coupled with changes in pore sizes. A section of the scattering curve with a slope less than -4 appears at low-Q in metamorphosed samples, which is not present in unmetamorphosed samples. A strong spike in the surface area to volume ratio is observed in rocks near the mapped metamorphic limit, which is associated with reaction of small amounts of organic material to graphite. It may also represent an increase in pore volume or permeability, suggesting that a high permeability zone forms at the boundary of the aureole and moves outwards as metamorphism progresses. Neutron scattering data also correlate well with transmission electron microscopic (TEM) observations, which show formation of micro- and nanopores and microfractures during metamorphism. The scattering data are, however, quantifiable for a bulk rock

  8. A new approach to quantification of metamorphism using ultra-small and small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Anovitz, Lawrence M.; Lynn, Gary W.; Cole, David R.; Rother, Gernot; Allard, Lawrence F.; Hamilton, William A.; Porcar, Lionel; Kim, Man-Ho

    2009-12-01

    In this paper we report the results of a study using small angle and ultra-small angle neutron scattering techniques (SANS and USANS) to examine the evolution of carbonates during contact metamorphism. Data were obtained from samples collected along two transects in the metamorphosed Hueco limestone at the Marble Canyon, Texas, contact aureole. These samples were collected from the igneous contact out to ˜1700 m. Scattering curves obtained from these samples show mass fractal behavior at low scattering vectors, and surface fractal behavior at high scattering vectors. Significant changes are observed in the surface and mass fractal dimensions as well as the correlation lengths (pore and grain sizes), surface area to volume ratio and surface Gibbs Free energy as a function of distance, including regions of the aureole outside the range of classic metamorphic petrology. A change from mass-fractal to non-fractal behavior is observed at larger scales near the outer boundary of the aureole that implies significant reorganization of pore distributions early in the metamorphic history. Surface fractal results suggest significant smoothing of grain boundaries, coupled with changes in pore sizes. A section of the scattering curve with a slope less than -4 appears at low- Q in metamorphosed samples, which is not present in unmetamorphosed samples. A strong spike in the surface area to volume ratio is observed in rocks near the mapped metamorphic limit, which is associated with reaction of small amounts of organic material to graphite. It may also represent an increase in pore volume or permeability, suggesting that a high permeability zone forms at the boundary of the aureole and moves outwards as metamorphism progresses. Neutron scattering data also correlate well with transmission electron microscopic (TEM) observations, which show formation of micro- and nanopores and microfractures during metamorphism. The scattering data are, however, quantifiable for a bulk rock in a

  9. Mapping the local nanostructure inside a specimen by tomographic small-angle x-ray scattering

    SciTech Connect

    Schroer, C.G.; Kuhlmann, M.; Roth, S.V.; Gehrke, R.; Stribeck, N.; Almendarez-Camarillo, A.; Lengeler, B.

    2006-04-17

    Small-angle x-ray scattering is combined with scanning microtomography to reconstruct the small-angle diffraction pattern in the direction of the tomographic rotation axis at each location on a virtual section through a specimen. These data yield information about the local nanoscale structure of the sample. With rotational symmetry present in the diffraction patterns, e.g., for isotropic or fiber-textured scatterers, the full reciprocal space information in the small-angle scattering regime can be reconstructed at each location inside the specimen. The method is illustrated investigating a polymer rod made by injection molding.

  10. Simulation-guided optimization of small-angle analyzer geometry in the neutron backscattering spectrometer SPHERES.

    PubMed

    Wuttke, Joachim; Zamponi, Michaela

    2013-11-01

    The resolution of neutron backscattering spectrometers deteriorates at small scattering angles where analyzers deviate from exact backscattering. By reducing the azimuth angle range of the analyzers, the resolution can be improved with little loss of peak intensity. Measurements at the spectrometer SPHERES are in excellent agreement with simulations, which proves the dominance of geometric effects.

  11. Simulation-guided optimization of small-angle analyzer geometry in the neutron backscattering spectrometer SPHERES

    SciTech Connect

    Wuttke, Joachim; Zamponi, Michaela

    2013-11-15

    The resolution of neutron backscattering spectrometers deteriorates at small scattering angles where analyzers deviate from exact backscattering. By reducing the azimuth angle range of the analyzers, the resolution can be improved with little loss of peak intensity. Measurements at the spectrometer SPHERES are in excellent agreement with simulations, which proves the dominance of geometric effects.

  12. The dynamic duo: Combining NMR and small angle scattering in structural biology

    PubMed Central

    Hennig, Janosch; Sattler, Michael

    2014-01-01

    Structural biology provides essential information for elucidating molecular mechanisms that underlie biological function. Advances in hardware, sample preparation, experimental methods, and computational approaches now enable structural analysis of protein complexes with increasing complexity that more closely represent biologically entities in the cellular environment. Integrated multidisciplinary approaches are required to overcome limitations of individual methods and take advantage of complementary aspects provided by different structural biology techniques. Although X-ray crystallography remains the method of choice for structural analysis of large complexes, crystallization of flexible systems is often difficult and does typically not provide insights into conformational dynamics present in solution. Nuclear magnetic resonance spectroscopy (NMR) is well-suited to study dynamics at picosecond to second time scales, and to map binding interfaces even of large systems at residue resolution but suffers from poor sensitivity with increasing molecular weight. Small angle scattering (SAS) methods provide low resolution information in solution and can characterize dynamics and conformational equilibria complementary to crystallography and NMR. The combination of NMR, crystallography, and SAS is, thus, very useful for analysis of the structure and conformational dynamics of (large) protein complexes in solution. In high molecular weight systems, where NMR data are often sparse, SAS provides additional structural information and can differentiate between NMR-derived models. Scattering data can also validate the solution conformation of a crystal structure and indicate the presence of conformational equilibria. Here, we review current state-of-the-art approaches for combining NMR, crystallography, and SAS data to characterize protein complexes in solution. PMID:24687405

  13. Discovering New Features of Protein Complexes Structures by Small-Angle X-Ray Scattering

    NASA Astrophysics Data System (ADS)

    Oliveira, C. L. P.; Vorup-Jensen, T.; Andersen, C. B. F.; Andersen, G. R.; Pedersen, J. S.

    In spite of the recent advances in the X-Ray crystallography and nuclear magnetic resonance techniques, the determination of the quaternary structure of large protein complexes is still a challenge in molecular biology and biological sciences. In this respect, small-angle X-ray scattering (SAXS) is a key technique, enabling the determination of the possible structural conformation of complexes in an almost native state. Despite of this book being devoted to scattering techniques by synchrotron radiation, in this chapter we present two examples of application of laboratory-based SAXS to protein solution. The fundaments of the technique are obviously the same and have been deeply described in Chap. 2. In this chapter, we will introduce the application of SAXS to protein solution. Special emphasis is done on data reduction and absolute units calibration. As an example to illustrate the power of this technique, two new data sets for two protein complexes will be presented. This will show how high-quality SAXS data combined with advanced model strategies enables the determination of the quaternary structure of protein complexes.

  14. Small-angle approximation to the transfer of narrow laser beams in anisotropic scattering media

    NASA Technical Reports Server (NTRS)

    Box, M. A.; Deepak, A.

    1981-01-01

    The broadening and the signal power detected of a laser beam traversing an anisotropic scattering medium were examined using the small-angle approximation to the radiative transfer equation in which photons suffering large-angle deflections are neglected. To obtain tractable answers, simple Gaussian and non-Gaussian functions for the scattering phase functions are assumed. Two other approximate approaches employed in the field to further simplify the small-angle approximation solutions are described, and the results obtained by one of them are compared with those obtained using small-angle approximation. An exact method for obtaining the contribution of each higher order scattering to the radiance field is examined but no results are presented.

  15. Measuring the distribution of cellulose microfibril angles in primary cell walls by small angle X-ray scattering

    PubMed Central

    2014-01-01

    Background X-ray scattering is a well-established method for measuring cellulose microfibril angles in secondary cell walls. However, little data is available on the much thinner primary cell walls. Here, we show that microfibril orientation distributions can be determined by small angle X-ray scattering (SAXS) even in primary cell walls. The technique offers a number of advantages: samples can be analyzed in the native hydrated state without any preparation which minimizes the risk of artifacts and allows for fast data acquisition. The method provides data averaged over a specimen region, determined by the size of the used X-ray beam and, thus, yields the microfibril orientation distribution within this region. Results Cellulose microfibril orientation distributions were obtained for single cells of the alga Chara corallina, as well as for the multicellular hypocotyl of Arabidopsis thaliana. In both, Chara and Arabidopsis, distributions with a broad scattering around mean microfibril angles of approximately 0° and 90° towards the longitudinal axis of the cells were found. Conclusions With SAXS, the structure of primary cell walls can be analysed in their native state and new insights into the cellulose microfibril orientation of primary cell walls can be gained. The data shows that SAXS can serve as a valuable tool for the analysis of cellulose microfibril orientation in primary cell walls and, in consequence, add to the understanding of its mechanical behaviour and the intriguing mechanisms behind cell growth. PMID:25170343

  16. Small-angle Compton Scattering to Determine the Depth of a Radioactive Source in Matter

    SciTech Connect

    Oberer, R. B.; Gunn, C. A.; Chiang, L. G.; Valiga, R. E.; Cantrell, J. A.

    2011-04-01

    A gamma-ray peak in a spectrum is often accompanied by a discontinuity in the Compton continuum at the peak. The Compton continuum results from Compton scattering in the detector. The discontinuity at a peak results from small-angle Compton scattering by the gamma rays in matter situated directly between the gamma-ray source and the detector. The magnitude of this discontinuity with respect to the gamma-ray peak is therefore an indicator of the amount of material or shielding between the gamma-ray source and the detector. This small-angle scattering was used to determine the depth of highly-enriched uranium (HEU) solution standards in a concrete floor mockup. The empirical results of the use of this small-angle scattering discontinuity in a concrete floor experiment will be described. A Monte Carlo calculation of the experiment will also be described. In addition, the depth determined from small-angle scattering was used in conjunction with differential attenuation to more accurately measure the uranium content of the mockup. Following these empirical results, the theory of small-angle scattering will be discussed. The magnitude of the discontinuity compared to the peak count rate is directly related to the depth of the gamma-ray source in matter. This relation can be described by relatively simple mathematical expressions. This is the first instance that we are aware of in which the small-angle Compton scattering has been used to determine the depth of a radioactive source. Furthermore this is the first development of the theoretical expressions for the magnitude of the small-angle scattering discontinuity.

  17. Using small angle solution scattering data in Xplor-NIH structure calculations.

    PubMed

    Schwieters, Charles D; Clore, G Marius

    2014-07-01

    This contribution describes the use of small and wide angle X-ray and small angle neutron scattering for biomolecular structure calculation using the program Xplor-NIH, both with and without NMR data. The current algorithms used for calculating scattering curves are described, and the use of scattering data as a structural restraint is given concrete form as a fragment of an Xplor-NIH structure calculation script. We review five examples of the use of scattering data in structure calculation, including the treatment of single domain proteins, nucleic acids, structure determination of large proteins, and the use of ensemble representations to characterize small and large amplitude motions.

  18. Reflection of X-rays from a rough surface at extremely small grazing angles.

    PubMed

    Wen, Mingwu; Kozhevnikov, Igor V; Wang, Zhanshan

    2015-09-21

    Peculiarities of X-ray diffraction from a rough surface at an extremely small grazing angle of an incident beam are theoretically studied. The interrelation of four diffraction channels (coherent reflectance, coherent transmittance, diffuse scattering in vacuum, and scattering into the matter depth) is analyzed for different limiting cases (large and small correlation length of roughness and large and extremely small grazing angle of incident radiation). Both the Debye-Waller and the Nevot-Croce factors are demonstrated to describe improperly the features of X-ray diffraction at extremely small grazing angles. More appropriate simple analytic expressions for the specular reflectivity and total integrated scattering in vacuum are obtained instead. Transformation of one limiting diffraction regime into another one with variation in the correlation length of roughness is discussed.

  19. Method for high resolution magnetic resonance analysis using magic angle technique

    DOEpatents

    Wind, Robert A.; Hu, Jian Zhi

    2003-11-25

    A method of performing a magnetic resonance analysis of a biological object that includes placing the biological object in a main magnetic field and in a radio frequency field, the main magnetic field having a static field direction; rotating the biological object at a rotational frequency of less than about 100 Hz around an axis positioned at an angle of about 54.degree.44' relative to the main magnetic static field direction; pulsing the radio frequency to provide a sequence that includes a magic angle turning pulse segment; and collecting data generated by the pulsed radio frequency. According to another embodiment, the radio frequency is pulsed to provide a sequence capable of producing a spectrum that is substantially free of spinning sideband peaks.

  20. Discrete magic angle turning system, apparatus, and process for in situ magnetic resonance spectroscopy and imaging

    DOEpatents

    Hu, Jian Zhi; Sears, Jr., Jesse A.; Hoyt, David W.; Wind, Robert A.

    2009-05-19

    Described are a "Discrete Magic Angle Turning" (DMAT) system, devices, and processes that combine advantages of both magic angle turning (MAT) and magic angle hopping (MAH) suitable, e.g., for in situ magnetic resonance spectroscopy and/or imaging. In an exemplary system, device, and process, samples are rotated in a clockwise direction followed by an anticlockwise direction of exactly the same amount. Rotation proceeds through an angle that is typically greater than about 240 degrees but less than or equal to about 360 degrees at constant speed for a time applicable to the evolution dimension. Back and forth rotation can be synchronized and repeated with a special radio frequency (RF) pulse sequence to produce an isotropic-anisotropic shift 2D correlation spectrum. The design permits tubes to be inserted into the sample container without introducing plumbing interferences, further allowing control over such conditions as temperature, pressure, flow conditions, and feed compositions, thus permitting true in-situ investigations to be carried out.

  1. C-REDOR: rotational echo double resonance under very fast magic-angle spinning

    NASA Astrophysics Data System (ADS)

    Chan, Jerry C. C.

    2001-02-01

    We propose a heteronuclear dipolar interaction recoupling scheme based on the pulse symmetry POST-C Nnν. Numerical simulations showed that POST-C3 31 and POST-C7 71 are suitable for the characterization of heteronuclear dipolar couplings for multiple-spin systems under very fast magic-angle spinning condition. These new pulse symmetries are superior to the rotational echo double resonance method and other recoupling schemes as far as the interference of homonuclear dipolar interaction is concerned. The experiment was carried out for fluorapatite at a spinning frequency of 25 kHz and the results were in good agreement with X-ray data.

  2. Measurement of two-dimensional small angle deviation with a prism interferometer

    SciTech Connect

    Chatterjee, Sanjib; Kumar, Y. Pavan

    2008-09-20

    A new technique for the measurement of two-dimensional small angular deviation is presented. A compound prism, which effectively produces a combination of two right-angled prisms in orthogonal directions, and plane reference surfaces have been utilized for the measurement of the orthogonal components of the angular tilt of an incident plane wavefront. Each orthogonal component of the angular tilt is separately measured from the angular rotation of the resultant wedge fringes between two plane wavefronts generated due to splitting of the incident plane wavefront by the corresponding set of right-angled prism and plane reference surface. The technique is shown to have high sensitivity for the measurement of small angle deviation. A monolithic prism interferometer, which is practically insensitive to vibration, is also proposed. Results obtained for the measurement of a known tilt angle are presented.

  3. A modified laminar optical tomography system with small dip-angle and the initial validation

    NASA Astrophysics Data System (ADS)

    Zhao, Huijuan; Wang, Shuang; Jia, Mengyu; Chen, Xueying; Qi, Jin; Tian, Jing; Ma, Wenjuan; Li, Jiao; Gao, Feng

    2016-03-01

    In a typical laminar optical tomography (LOT) system, the dip-angle between the incident light (or the emitting light) and the normal of the detection plane randomly changes during raster-scanning. The inconstant dip-angle causes consistency between the measurement and the light transportation model where a fixed dip-angle of the incident light is generally required. To eliminate the effect from this dip angle, methods such as keeping the angle unchangeable by moving the phantom instead of scanning the light were investigated. In this paper, a LOT system with small dip-angle over the whole detection range is developed. Simulation and experimental evaluation show that the dip-angle of the modified system is much smaller than that of the traditional system. For example, the relative angle between the two incident light at (x=0mm, y=0mm) and (x=0mm, y=2.5mm) on the image plane is about 0.7° for the traditional system while that is only about 0.02° for the modified system. The main parameters of the system are also evaluated and an image reconstruction algorithm is developed based on Monte Carlo simulation. The reconstructed images show that the spatial resolution and quantitative ratio is improved by the modified system without loss of the scanning speed.

  4. Hierarchical O(N) computation of small-angle scattering profiles and their associated derivatives

    PubMed Central

    Berlin, Konstantin; Gumerov, Nail A.; Fushman, David; Duraiswami, Ramani

    2014-01-01

    The need for fast approximate algorithms for Debye summation arises in computations performed in crystallography, small/wide-angle X-ray scattering and small-angle neutron scattering. When integrated into structure refinement protocols these algorithms can provide significant speed up over direct all-atom-to-all-atom computation. However, these protocols often employ an iterative gradient-based optimization procedure, which then requires derivatives of the profile with respect to atomic coordinates. This article presents an accurate, O(N) cost algorithm for the computation of scattering profile derivatives. The results reported here show orders of magnitude improvement in computational efficiency, while maintaining the prescribed accuracy. This opens the possibility to efficiently integrate small-angle scattering data into the structure determination and refinement of macromolecular systems. PMID:24701198

  5. Small angle x-ray scattering with a beryllium compound refractive lens as focusing optic

    SciTech Connect

    Timmann, Andreas; Doehrmann, Ralph; Schubert, Tom; Schulte-Schrepping, Horst; Hahn, Ulrich; Kuhlmann, Marion; Gehrke, Rainer; Roth, Stephan Volkher; Schropp, Andreas; Schroer, Christian; Lengeler, Bruno

    2009-04-15

    At BW4 at HASYLAB a beryllium compound refractive lens (Be-CRL) is used for the focusing in small-angle x-ray scattering experiments. Using it provides the advantages of higher long-term stability and a much easier alignment compared to a setup with focusing mirrors. In our investigations presented here, we show the advantages of using a Be-CRL in small-angle and also ultra small-angle x-ray scattering. We investigated the beam characteristics at the sample position with respect to spot size and photon flux. The spot size is comparable to that of a setup with focusing mirrors but with a gain in flux and better long-term stability. It is also shown that plane mirrors are still necessary to suppress higher order energies passing the monochromator.

  6. A more informative approach for characterization of polymer monolithic phases: small angle neutron scattering/ultrasmall angle neutron scattering.

    PubMed

    Ford, Kathleen M; Konzman, Brian G; Rubinson, Judith F

    2011-12-15

    Neutron scattering techniques have been used frequently to characterize geological specimens and to determine the structures of glasses and of polymers as solutions, suspensions, or melts. Little work has been reported on their application in determining polymers' structural properties relevant to separations. Here, we present a comparison of characterization results from nitrogen porosimetry and from combined small angle neutron scattering (SANS) and ultrasmall angle neutron scattering (USANS) experiments. We show that SANS is extremely sensitive to the pore characteristics. Both approaches can provide information about porosity and pore characteristics, but the neutron scattering techniques provide additional information in the form of the surface characteristics of the pores and their length scales. Fits of the scattering data show that cylindrical pores are present with diameters down to 0.6 μm and that, for length scales down to approxmately 20 Å, the material shows self-similar (fractal) slopes of -3.4 to -3.6. Comparison of these characteristics with other examples from the scattering literature indicate that further investigation of their meaning for chromatographic media is required. PMID:22066706

  7. Experimental methods in the study of neutron scattering at small angles

    SciTech Connect

    Dragolici, Cristian A.

    2014-11-24

    Small angle scattering (SAS) is the collective name given to the techniques of small angle neutron (SANS) and X-ray (SAXS) scattering. They offer the possibility to analyze particles without disturbing their natural environment. In each of these techniques radiation is elastically scattered by a sample and the resulting scattering pattern is analyzed to provide information about the size, shape and orientation of some component of the sample. Accordingly, a large number of methods and experimental patterns have been developed to ease the investigation of condensed matter by use of these techniques. Some of them are the discussed in this paper.

  8. High-resolution angle-resolved measurements of light scattered at small angles by red blood cells in suspension.

    PubMed

    Turcu, Ioan; Pop, Cristian V L; Neamtu, Silvia

    2006-03-20

    Red blood cells (RBCs) scatter light mainly in the forward direction, where the scattering phase function has a narrow peak. We performed an experimental investigation into the angular distribution of light scattered by blood in the small-angle domain. A highly diluted suspension of RBCs (hematocrits in the range 5 x 10(-5)-10(-2)) was illuminated with a He-Ne laser with 633 nm wavelength. We focused our research on two main topics: the scattering efficiency of the RBCs given by the mean scattering cross section and the scattering anisotropy obtained from the angular distribution of the scattered photons. The collimated beam transmission and the angular distribution of scattered light were measured and compared with the predictions of the effective phase function model. The RBCs' mean scattering cross section and scattering anisotropy were obtained by fitting of the experimental data. PMID:16579566

  9. Characterization of lipid films by an angle-interrogation surface plasmon resonance imaging device.

    PubMed

    Liu, Linlin; Wang, Qiong; Yang, Zhong; Wang, Wangang; Hu, Ning; Luo, Hongyan; Liao, Yanjian; Zheng, Xiaolin; Yang, Jun

    2015-04-01

    Surface topographies of lipid films have an important significance in the analysis of the preparation of giant unilamellar vesicles (GUVs). In order to achieve accurately high-throughput and rapidly analysis of surface topographies of lipid films, a homemade SPR imaging device is constructed based on the classical Kretschmann configuration and an angle interrogation manner. A mathematical model is developed to accurately describe the shift including the light path in different conditions and the change of the illumination point on the CCD camera, and thus a SPR curve for each sampling point can also be achieved, based on this calculation method. The experiment results show that the topographies of lipid films formed in distinct experimental conditions can be accurately characterized, and the measuring resolution of the thickness lipid film may reach 0.05 nm. Compared with existing SPRi devices, which realize detection by monitoring the change of the reflective-light intensity, this new SPRi system can achieve the change of the resonance angle on the entire sensing surface. Thus, it has higher detection accuracy as the traditional angle-interrogation SPR sensor, with much wider detectable range of refractive index.

  10. Advances and applications of dynamic-angle spinning nuclear magnetic resonance

    SciTech Connect

    Baltisberger, J.H.

    1993-06-01

    This dissertation describes nuclear magnetic resonance experiments and theory which have been developed to study quadrupolar nuclei (those nuclei with spin greater than one-half) in the solid state. Primarily, the technique of dynamic-angle spinning (DAS) is extensively reviewed and expanded upon in this thesis. Specifically, the improvement in both the resolution (two-dimensional pure-absorptive phase methods and DAS angle choice) and sensitivity (pulse-sequence development), along with effective spinning speed enhancement (again through choice of DAS conditions or alternative multiple pulse schemes) of dynamic-angle spinning experiment was realized with both theory and experimental examples. The application of DAS to new types of nuclei (specifically the {sup 87}Rb and {sup 85}Rb nuclear spins) and materials (specifically amorphous solids) has also greatly expanded the possibilities of the use of DAS to study a larger range of materials. This dissertation is meant to demonstrate both recent advances and applications of the DAS technique, and by no means represents a comprehensive study of any particular chemical problem.

  11. Characterization of lipid films by an angle-interrogation surface plasmon resonance imaging device.

    PubMed

    Liu, Linlin; Wang, Qiong; Yang, Zhong; Wang, Wangang; Hu, Ning; Luo, Hongyan; Liao, Yanjian; Zheng, Xiaolin; Yang, Jun

    2015-04-01

    Surface topographies of lipid films have an important significance in the analysis of the preparation of giant unilamellar vesicles (GUVs). In order to achieve accurately high-throughput and rapidly analysis of surface topographies of lipid films, a homemade SPR imaging device is constructed based on the classical Kretschmann configuration and an angle interrogation manner. A mathematical model is developed to accurately describe the shift including the light path in different conditions and the change of the illumination point on the CCD camera, and thus a SPR curve for each sampling point can also be achieved, based on this calculation method. The experiment results show that the topographies of lipid films formed in distinct experimental conditions can be accurately characterized, and the measuring resolution of the thickness lipid film may reach 0.05 nm. Compared with existing SPRi devices, which realize detection by monitoring the change of the reflective-light intensity, this new SPRi system can achieve the change of the resonance angle on the entire sensing surface. Thus, it has higher detection accuracy as the traditional angle-interrogation SPR sensor, with much wider detectable range of refractive index. PMID:25697808

  12. Angle correction for small animal tumor imaging with spatial frequency domain imaging (SFDI).

    PubMed

    Zhao, Yanyu; Tabassum, Syeda; Piracha, Shaheer; Nandhu, Mohan Sobhana; Viapiano, Mariano; Roblyer, Darren

    2016-06-01

    Spatial frequency domain imaging (SFDI) is a widefield imaging technique that allows for the quantitative extraction of tissue optical properties. SFDI is currently being explored for small animal tumor imaging, but severe imaging artifacts occur for highly curved surfaces (e.g. the tumor edge). We propose a modified Lambertian angle correction, adapted from the Minnaert correction method for satellite imagery, to account for tissue surface angles up to 75°. The method was tested in a hemisphere phantom study as well as a small animal tumor model. The proposed method reduced µa and µs` extraction errors by an average of 64% and 16% respectively compared to performing no angle correction, and provided more physiologically agreeable optical property and chromophore values on tumors. PMID:27375952

  13. Angle correction for small animal tumor imaging with spatial frequency domain imaging (SFDI)

    PubMed Central

    Zhao, Yanyu; Tabassum, Syeda; Piracha, Shaheer; Nandhu, Mohan Sobhana; Viapiano, Mariano; Roblyer, Darren

    2016-01-01

    Spatial frequency domain imaging (SFDI) is a widefield imaging technique that allows for the quantitative extraction of tissue optical properties. SFDI is currently being explored for small animal tumor imaging, but severe imaging artifacts occur for highly curved surfaces (e.g. the tumor edge). We propose a modified Lambertian angle correction, adapted from the Minnaert correction method for satellite imagery, to account for tissue surface angles up to 75°. The method was tested in a hemisphere phantom study as well as a small animal tumor model. The proposed method reduced µa and µs` extraction errors by an average of 64% and 16% respectively compared to performing no angle correction, and provided more physiologically agreeable optical property and chromophore values on tumors. PMID:27375952

  14. Small-angle neutron scattering of nanocrystalline terbium with random paramagnetic susceptibility.

    PubMed

    Balaji, G; Ghosh, S; Döbrich, F; Eckerlebe, H; Weissmüller, J

    2008-06-01

    We report magnetic small-angle neutron scattering (SANS) data for the nanocrystalline rare earth metal Terbium in its paramagnetic state. Whereas critical scattering dominates at large momentum transfer, q, the (magnetic-) field response of the scattering at small q arises from the spatial nonuniformity of the paramagnetic susceptibility tensor. The finding of an interrelation between SANS and the susceptibility suggests a way for characterizing the nonuniform magnetic interactions in hard magnets by neutron scattering. PMID:18643454

  15. Irena : tool suite for modeling and analysis of small-angle scattering.

    SciTech Connect

    Ilavsky, J.; Jemian, P.

    2009-04-01

    Irena, a tool suite for analysis of both X-ray and neutron small-angle scattering (SAS) data within the commercial Igor Pro application, brings together a comprehensive suite of tools useful for investigations in materials science, physics, chemistry, polymer science and other fields. In addition to Guinier and Porod fits, the suite combines a variety of advanced SAS data evaluation tools for the modeling of size distribution in the dilute limit using maximum entropy and other methods, dilute limit small-angle scattering from multiple non-interacting populations of scatterers, the pair-distance distribution function, a unified fit, the Debye-Bueche model, the reflectivity (X-ray and neutron) using Parratt's formalism, and small-angle diffraction. There are also a number of support tools, such as a data import/export tool supporting a broad sampling of common data formats, a data modification tool, a presentation-quality graphics tool optimized for small-angle scattering data, and a neutron and X-ray scattering contrast calculator. These tools are brought together into one suite with consistent interfaces and functionality. The suite allows robust automated note recording and saving of parameters during export.

  16. Studying fractal geometry on submicron length scales by small-angle scattering

    SciTech Connect

    Wong, P.; Lin, J.

    1988-08-01

    Recent studies have shown that internal surfaces of porous geological materials, such as rocks and lignite coals, can be described by fractals down to atomic length scales. In this paper, the basic properties of self-similar and self-affine fractals are reviewed and how fractal dimensions can be measured by small-angle scattering experiments are discussed.

  17. Structure of unilamellar vesicles: Numerical analysis based on small-angle neutron scattering data

    SciTech Connect

    Zemlyanaya, E. V. Kiselev, M. A.; Zbytovska, J.; Almasy, L.; Aswal, V. K.; Strunz, P.; Wartewig, S.; Neubert, R.

    2006-12-15

    The structure of polydispersed populations of unilamellar vesicles is studied by small-angle neutron scattering for three types of lipid systems, namely, single-, two-and four-component vesicular systems. Results of the numerical analysis based on the separated-form-factor model are reported.

  18. Design and use of a 6 meter neutron small-angle scattering spectrometer at KUR

    NASA Astrophysics Data System (ADS)

    Komura, S.; Takeda, T.; Fujii, H.; Osamura, K.; Mochiki, K.; Hasegawa, K.

    1983-05-01

    A 6 meter neutron small-angle scattering spectrometer has been constructed at the Kyoto University Reactor (KUR) and has been used successfully in various fields of application. The design principles and the characteristics of the spectrometer are described briefly. Some examples of the scattering measurements are presented.

  19. Polarization angle independent metamaterial absorber based on circle-shaped resonators with interference theory

    NASA Astrophysics Data System (ADS)

    Dincer, Furkan; Karaaslan, Muharrrem; Akgol, Oguzhan; Unal, Emin; Sabah, Cumali

    2015-11-01

    We theoretically and numerically designed a perfect metamaterial absorber at microwave frequencies. The proposed design has a very simple geometry, wide band properties and provides perfect absorption for all polarization angles which is one of the most desired properties for an absorber structure to be used in the applications where the source polarization is unknown. In order to explain the absorption mechanism both numerical and theoretical analyses are carried out. Designed structure offers a perfect absorption at around 9.8 GHz. The resonance frequency does not change depending on the source wave polarization. In addition, it can be easily reconfigured for THz and infrared regimes for different applications such as sensors, defense systems and stealth technologies.

  20. Angle resolved photo-emission spectroscopy signature of the resonant excitonic state

    NASA Astrophysics Data System (ADS)

    Montiel, X.; Kloss, T.; Pépin, C.

    2016-09-01

    We calculate the angle resolved photo-emission spectroscopy (ARPES) signature of the resonant excitonic state (RES) that was proposed as the pseudo-gap state of cuprate superconductors (Kloss T. et al., arXiv:1510.03038 (2015)). This new state can be described as a set of excitonic (particle-hole) patches with an internal checkerboard modulation. Here, we modelize the RES as a charge order with 2\\textbf{p}F wave vectors, where 2\\textbf{p}F is the ordering vector connecting two opposite sides of the Fermi surface. We calculate the spectral weight and the density of states in the RES and we find that our model correctly reproduces the opening of the PG in Bi-2201.

  1. Drag measurements on long thin cylinders at small angles and high Reynolds numbers

    NASA Astrophysics Data System (ADS)

    Keith, William L.; Cipolla, Kimberly M.; Hart, David R.; Furey, Deborah A.

    2005-06-01

    Measurements of the drag caused by turbulent boundary layer mean wall shear stress on cylinders at small angles of attack and high length Reynolds numbers (8×106angles, resulting in linear cylinder geometry for tow speeds ranging from 2.6 m/s to 20.7 m/s and angles between 0° and 12°. Towing angles were measured with digital photography, and streamwise drag was measured with a strut-mounted load cell at the tow point. The measured tangential drag was very sensitive to small increases in angle at all tow speeds. A momentum thickness length scale is proposed to scale the tangential drag coefficient. The effects of the cross-flow resulting from the small angles of tow have a significant effect on the tangential drag coefficient values. A scaling for the orthogonal force on the cylinders was determined and provides a correction to published normal drag coefficient values for pure cross-flow. The presence of the axial turbulent boundary layer has a significant effect on these orthogonal forces.

  2. A preliminary study of breast cancer diagnosis using laboratory based small angle x-ray scattering

    NASA Astrophysics Data System (ADS)

    Round, A. R.; Wilkinson, S. J.; Hall, C. J.; Rogers, K. D.; Glatter, O.; Wess, T.; Ellis, I. O.

    2005-09-01

    Breast tissue collected from tumour samples and normal tissue from bi-lateral mastectomy procedures were examined using small angle x-ray scattering. Previous work has indicated that breast tissue disease diagnosis could be performed using small angle x-ray scattering (SAXS) from a synchrotron radiation source. The technique would be more useful to health services if it could be made to work using a conventional x-ray source. Consistent and reliable differences in x-ray scatter distributions were observed between samples from normal and tumour tissue samples using the laboratory based 'SAXSess' system. Albeit from a small number of samples, a sensitivity of 100% was obtained. This result encourages us to pursue the implementation of SAXS as a laboratory based diagnosis technique.

  3. Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles.

    PubMed

    Marshall, Bennett D; Chapman, Walter G

    2013-08-01

    We develop a new theory for associating fluids with multiple association sites. The theory accounts for small bond angle effects such as steric hindrance, ring formation, and double bonding. The theory is validated against Monte Carlo simulations for the case of a fluid of patchy colloid particles with three patches and is found to be very accurate. Once validated, the theory is applied to study the phase diagram of a fluid composed of three patch colloids. It is found that bond angle has a significant effect on the phase diagram and the very existence of a liquid-vapor transition.

  4. Hierarchical Pore Morphology of Cretaceous Shale: A Small-Angle Neutron Scattering and Ultrasmall-Angle Neutron Scattering Study

    SciTech Connect

    Bahadur, J.; Melnichenko, Y. B.; Mastalerz, Maria; Furmann, Agnieszka; Clarkson, Chris R.

    2014-09-25

    Shale reservoirs are becoming an increasingly important source of oil and natural gas supply and a potential candidate for CO2 sequestration. Understanding the pore morphology in shale may provide clues to making gas extraction more efficient and cost-effective. The porosity of Cretaceous shale samples from Alberta, Canada, collected from different depths with varying mineralogical compositions, has been investigated by small- and ultrasmall-angle neutron scattering. Moreover these samples come from the Second White Specks and Belle Fourche formations, and their organic matter content ranges between 2 and 3%. The scattering length density of the shale specimens has been estimated using the chemical composition of the different mineral components. Scattering experiments reveal the presence of fractal and non-fractal pores. It has been shown that the porosity and specific surface area are dominated by the contribution from meso- and micropores. The fraction of closed porosity has been calculated by comparing the porosities estimated by He pycnometry and scattering techniques. There is no correlation between total porosity and mineral components, a strong correlation has been observed between closed porosity and major mineral components in the studied specimens.

  5. Hierarchical Pore Morphology of Cretaceous Shale: A Small-Angle Neutron Scattering and Ultrasmall-Angle Neutron Scattering Study

    DOE PAGES

    Bahadur, J.; Melnichenko, Y. B.; Mastalerz, Maria; Furmann, Agnieszka; Clarkson, Chris R.

    2014-09-25

    Shale reservoirs are becoming an increasingly important source of oil and natural gas supply and a potential candidate for CO2 sequestration. Understanding the pore morphology in shale may provide clues to making gas extraction more efficient and cost-effective. The porosity of Cretaceous shale samples from Alberta, Canada, collected from different depths with varying mineralogical compositions, has been investigated by small- and ultrasmall-angle neutron scattering. Moreover these samples come from the Second White Specks and Belle Fourche formations, and their organic matter content ranges between 2 and 3%. The scattering length density of the shale specimens has been estimated using themore » chemical composition of the different mineral components. Scattering experiments reveal the presence of fractal and non-fractal pores. It has been shown that the porosity and specific surface area are dominated by the contribution from meso- and micropores. The fraction of closed porosity has been calculated by comparing the porosities estimated by He pycnometry and scattering techniques. There is no correlation between total porosity and mineral components, a strong correlation has been observed between closed porosity and major mineral components in the studied specimens.« less

  6. Small-Tip-Angle Spokes Pulse Design Using Interleaved Greedy and Local Optimization Methods

    PubMed Central

    Grissom, William A.; Khalighi, Mohammad-Mehdi; Sacolick, Laura I.; Rutt, Brian K.; Vogel, Mika W.

    2013-01-01

    Current spokes pulse design methods can be grouped into methods based either on sparse approximation or on iterative local (gradient descent-based) optimization of the transverse-plane spatial frequency locations visited by the spokes. These two classes of methods have complementary strengths and weaknesses: sparse approximation-based methods perform an efficient search over a large swath of candidate spatial frequency locations but most are incompatible with off-resonance compensation, multifrequency designs, and target phase relaxation, while local methods can accommodate off-resonance and target phase relaxation but are sensitive to initialization and suboptimal local cost function minima. This article introduces a method that interleaves local iterations, which optimize the radiofrequency pulses, target phase patterns, and spatial frequency locations, with a greedy method to choose new locations. Simulations and experiments at 3 and 7 T show that the method consistently produces single- and multifrequency spokes pulses with lower flip angle inhomogeneity compared to current methods. PMID:22392822

  7. Resonant interactions and chaotic rotation of Pluto's small moons.

    PubMed

    Showalter, M R; Hamilton, D P

    2015-06-01

    Four small moons--Styx, Nix, Kerberos and Hydra--follow near-circular, near-equatorial orbits around the central 'binary planet' comprising Pluto and its large moon, Charon. New observational details of the system have emerged following the discoveries of Kerberos and Styx. Here we report that Styx, Nix and Hydra are tied together by a three-body resonance, which is reminiscent of the Laplace resonance linking Jupiter's moons Io, Europa and Ganymede. Perturbations by the other bodies, however, inject chaos into this otherwise stable configuration. Nix and Hydra have bright surfaces similar to that of Charon. Kerberos may be much darker, raising questions about how a heterogeneous satellite system might have formed. Nix and Hydra rotate chaotically, driven by the large torques of the Pluto-Charon binary.

  8. Resonant interactions and chaotic rotation of Pluto's small moons.

    PubMed

    Showalter, M R; Hamilton, D P

    2015-06-01

    Four small moons--Styx, Nix, Kerberos and Hydra--follow near-circular, near-equatorial orbits around the central 'binary planet' comprising Pluto and its large moon, Charon. New observational details of the system have emerged following the discoveries of Kerberos and Styx. Here we report that Styx, Nix and Hydra are tied together by a three-body resonance, which is reminiscent of the Laplace resonance linking Jupiter's moons Io, Europa and Ganymede. Perturbations by the other bodies, however, inject chaos into this otherwise stable configuration. Nix and Hydra have bright surfaces similar to that of Charon. Kerberos may be much darker, raising questions about how a heterogeneous satellite system might have formed. Nix and Hydra rotate chaotically, driven by the large torques of the Pluto-Charon binary. PMID:26040889

  9. Tilt Angle and Footpoint Separation of Small and Large Bipolar Sunspot Regions Observed with HMI

    NASA Astrophysics Data System (ADS)

    McClintock, B. H.; Norton, A. A.

    2016-02-01

    We investigate bipolar sunspot regions and how tilt angle and footpoint separation vary during emergence and decay. The Helioseismic and Magnetic Imager on board the Solar Dynamic Observatory collects data at a higher cadence than historical records and allows for a detailed analysis of regions over their lifetimes. We sample the umbral tilt angle, footpoint separation, and umbral area of 235 bipolar sunspot regions in Helioseismic and Magnetic Imager—Debrecen Data with an hourly cadence. We use the time when the umbral area peaks as time zero to distinguish between the emergence and decay periods of each region and we limit our analysis of tilt and separation behavior over time to within ±96 hr of time zero. Tilt angle evolution is distinctly different for regions with small (≈30 MSH), midsize (≈50 MSH), and large (≈110 MSH) maximum umbral areas, with 45 and 90 MSH being useful divisions for separating the groups. At the peak umbral area, we determine median tilt angles for small (7.°6), midsize (5.°9), and large (9.°3) regions. Within ±48 hr of the time of peak umbral area, large regions steadily increase in tilt angle, midsize regions are nearly constant, and small regions show evidence of negative tilt during emergence. A period of growth in footpoint separation occurs over a 72-hr period for all of the regions from roughly 40 to 70 Mm. The smallest bipoles (<9 MSH) are outliers in that they do not obey Joy's law and have a much smaller footpoint separation. We confirm the Muñoz-Jaramillo et al. (2015) results that the sunspots appear to be two distinct populations.

  10. A dual RF resonator system for high-field functional magnetic resonance imaging of small animals.

    PubMed

    Ludwig, R; Bodgdanov, G; King, J; Allard, A; Ferris, C F

    2004-01-30

    A new apparatus has been developed that integrates an animal restrainer arrangement for small animals with an actively tunable/detunable dual radio-frequency (RF) coil system for in vivo anatomical and functional magnetic resonance imaging of small animals at 4.7 T. The radio-frequency coil features an eight-element microstrip line configuration that, in conjunction with a segmented outer copper shield, forms a transversal electromagnetic (TEM) resonator structure. Matching and active tuning/detuning is achieved through fixed/variable capacitors and a PIN diode for each resonator element. These components along with radio-frequency chokes (RFCs) and blocking capacitors are placed on two printed circuit boards (PCBs) whose copper coated ground planes form the front and back of the volume coil and are therefore an integral part of the resonator structure. The magnetic resonance signal response is received with a dome-shaped single-loop surface coil that can be height-adjustable with respect to the animal's head. The conscious animal is immobilized through a mechanical arrangement that consists of a Plexiglas body tube and a head restrainer. This restrainer has a cylindrical holder with a mouthpiece and position screws to receive and restrain the head of the animal. The apparatus is intended to perform anatomical and functional magnetic resonance imaging in conscious animals such as mice, rats, hamsters, and marmosets. Cranial images acquired from fully conscious rats in a 4.7 T Bruker 40 cm bore animal scanner underscore the feasibility of this approach and bode well to extend this system to the imaging of other animals. PMID:14706710

  11. Performance of silicon pixel detectors at small track incidence angles for the ATLAS Inner Tracker upgrade

    NASA Astrophysics Data System (ADS)

    Viel, Simon; Banerjee, Swagato; Brandt, Gerhard; Carney, Rebecca; Garcia-Sciveres, Maurice; Hard, Andrew Straiton; Kaplan, Laser Seymour; Kashif, Lashkar; Pranko, Aliaksandr; Rieger, Julia; Wolf, Julian; Wu, Sau Lan; Yang, Hongtao

    2016-09-01

    In order to enable the ATLAS experiment to successfully track charged particles produced in high-energy collisions at the High-Luminosity Large Hadron Collider, the current ATLAS Inner Detector will be replaced by the Inner Tracker (ITk), entirely composed of silicon pixel and strip detectors. An extension of the tracking coverage of the ITk to very forward pseudorapidity values is proposed, using pixel modules placed in a long cylindrical layer around the beam pipe. The measurement of long pixel clusters, detected when charged particles cross the silicon sensor at small incidence angles, has potential to significantly improve the tracking efficiency, fake track rejection, and resolution of the ITk in the very forward region. The performance of state-of-the-art pixel modules at small track incidence angles is studied using test beam data collected at SLAC and CERN.

  12. Small-angle neutron scattering studies from solutions of bovine nasal cartilage proteoglycan

    SciTech Connect

    Patel, A.; Stivala, S.S.; Damle, S.P.; Gregory, J.D.; Bunick, G.J.; Uberbacher, E.C.

    1985-08-01

    Small-angle neutron scattering, SANS, of the proteoglycan subunit of bovine nasal cartilage in 0.15N LiCl at 25/sup 0/C yielded the radius of gyration, R/sub g/, radius of gyration of the cross-section, R/sub q/, persistence length, a, and the molecular weight, M. The following values were obtained: M = 3.9 x 10/sup 6/, R/sub g/ = 745 A, R/sub q/ = 34.6 A and a = 35.2 A. These values compare favorably with those that were obtained from small angle x-ray scattering, SAXS, of a similar extract. The scattering curve of the proteoglycan subunit in D/sub 2/O showed a characteristic broad peak in the specified angular range similar to that observed from SAXS, thus confirming the polyelectrolyte nature of the proteoglycan. 15 refs., 3 figs., 1 tab. (DT)

  13. BIOISIS: Biological Macromolecules by Small Angle X-ray Scattering (SAXS)

    DOE Data Explorer

    Tainer, John [Scripps Research Institute; Hura, Greg [LBNL; Rambo, Robert P. [LBNL

    BIOISIS is an open access database dedicated to the study of biological macromolecules by small angle X-ray scattering (SAXS). BIOISIS aims to become the complete source for the deposition, distribution and maintenance of small angle X-ray scattering data and technologies. The database is designed around the concept of an ôexperimentö and relates a specific experiment to a set of genes, organisms, computational models and experimental data. As of May 2012, BIOSIS contains 7,118 genes covering four different organisms. Forty-two modeled structures are available. Clicking on a structures reveals scattering curves, experimental conditions, and experimental values. The data are collected at Beamline 12.3.1 of the Advanced Light Source (ALS).[Copied with editing from http://www.bioisis.net/about

  14. Characterization of porous materials using combined small-angle X-ray and neutron scattering techniques

    SciTech Connect

    Hu, Naiping; Borkar, Neha; Kohls, Doug; Schaefer, Dale W.

    2014-09-24

    A combination of ultra small angle X-ray scattering (USAXS) and ultra small angle neutron scattering (USANS) is used to characterize porous materials. The analysis methods yield quantitative information, including the mean skeletal chord length, mean pore chord length, skeletal density, and composition. A mixed cellulose ester (MCE) membrane with a manufacturer-labeled pore size of 0.1 {mu}m was used as a model to elucidate the specifics of the method. Four approaches describing four specific scenarios (different known parameters and form of the scattering data) are compared. Pore chords determined using all four approaches are in good agreement with the scanning electron microscopy estimates but are larger than the manufacturer's nominal pore size. Our approach also gives the average chord of the skeletal solid (struts) of the membrane, which is also consistent for all four approaches. Combined data from USAXS and USANS gives the skeletal density and the strut composition.

  15. Development and prospects of Very Small Angle Neutron Scattering (VSANS) techniques

    NASA Astrophysics Data System (ADS)

    Xuo, Tai-Sen; Cheng, He; Chen, Yuan-Bo; Wang, Fang-Wei

    2016-07-01

    Very Small Angle Neutron Scattering (VSANS) is an upgrade of the traditional Small Angle Neutron Scattering (SANS) technique which can cover three orders of magnitude of length scale from one nanometer to one micrometer. It is a powerful tool for structure calibration in polymer science, biology, material science and condensed matter physics. Since the first VSANS instrument, D11 in Grenoble, was built in 1972, new collimation techniques, focusing optics (multi-beam converging apertures, material or magnetic lenses, and focusing mirrors) and higher resolution detectors combined with the long flight paths and long incident neutron wavelengths have been developed. In this paper, a detailed review is given of the development, principles and application conditions of various VSANS techniques. Then, beam current gain factors are calculated to evaluate those techniques. A VSANS design for the China Spallation Neutron Source (CSNS) is thereby presented. Supported by National Natural Science Foundation of China (21474119, 11305191)

  16. Small-angle X-ray scattering method to characterize molecular interactions: Proof of concept.

    PubMed

    Allec, Nicholas; Choi, Mina; Yesupriya, Nikhil; Szychowski, Brian; White, Michael R; Kann, Maricel G; Garcin, Elsa D; Daniel, Marie-Christine; Badano, Aldo

    2015-01-01

    Characterizing biomolecular interactions is crucial to the understanding of biological processes. Existing characterization methods have low spatial resolution, poor specificity, and some lack the capability for deep tissue imaging. We describe a novel technique that relies on small-angle X-ray scattering signatures from high-contrast molecular probes that correlate with the presence of biomolecular interactions. We describe a proof-of-concept study that uses a model system consisting of mixtures of monomer solutions of gold nanoparticles (GNPs) as the non-interacting species and solutions of GNP dimers linked with an organic molecule (dimethyl suberimidate) as the interacting species. We report estimates of the interaction fraction obtained with the proposed small-angle X-ray scattering characterization method exhibiting strong correlation with the known relative concentration of interacting and non-interacting species. PMID:26160052

  17. New analysis of the small-angle-magnetization-rotation method for magnetostriction measurements on amorphous ribbons

    NASA Astrophysics Data System (ADS)

    Severino, A. M.; Missell, F. P.

    1987-09-01

    The small-angle-magnetization-rotation (SAMR) method for measuring the saturation magnetostrictin λ s has been reanalyzed, taking into account the underlying domain structure of the amorphous ribbon. Although the condition for determining λ s reamins unchenged, the modifications introduced allow one to understand many additional features of the experimental data. With the appropriate modifications, the SAMR method can be used to study stress relaxation in amorphous alloys. Examples are given Fe-based and Co-based alloys.

  18. X-ray small-angle scattering from sputtered CeO{sub 2}/C bilayers

    SciTech Connect

    Haviar, S.; Dubau, M.; Khalakhan, I.; Vorokhta, M.; Matolinova, I.; Matolin, V.; Vales, V.; Endres, J.; Holy, V.; Buljan, M.; Bernstorff, S.

    2013-01-14

    Surface and interface morphology of cerium oxide/carbon bilayers used as thin-film catalysts is studied by grazing-incidence small-angle x-ray scattering, scanning electron microscopy, and atomic-force microscopy, and the dependence of the structural parameters on the thicknesses of the constituting layers is investigated. The applicability of x-ray scattering and its advantages over standard analytical methods are discussed.

  19. Small-angle x-ray scattering of intercalation compounds of graphite, fluorographite, and graphite oxide

    SciTech Connect

    Perevozkin, V.Yu.; Yur'ev, G.S.; Nazarov, A.S.; Danilenko, A.M.; Lisitsa, V.V.; Makotchenko, V.G.; Paasonen, V.M.; Yakovlev, I.I.

    1988-05-01

    Graphite intercalation compounds are interesting as cathode materials in chemical current sources and catalysts and are good conductors of electricity. Small-angle x-ray scattering was studied on natural graphite, intercalation compounds of fluorinated graphite, graphite oxide, and the products of reduction of the compounds. It was shown that scattering takes place in regions with a lower density and the size of the density inhomogeneities was determined.

  20. Two-dimensional position-sensitive detectors for small-angle neutron scattering

    SciTech Connect

    McElhaney, S.A.; Vandermolen, R.I.

    1990-05-01

    In this paper, various detectors available for small angle neutron scattering (SANS) are discussed, along with some current developments being actively pursued. A section has been included to outline the various methodologies of position encoding/decoding with discussions on trends and limitations. Computer software/hardware vary greatly from institute and experiment and only a general discussion is given to this area. 85 refs., 33 figs.

  1. A 6-Meter Neutron Small-Angle Scattering Spectrometer at KUR

    NASA Astrophysics Data System (ADS)

    Komura, Shigehiro; Takeda, Takayoshi; Fujii, Hironobu; Toyoshima, Yoshinori; Osamura, Kozo; Mochiki, Koichi; Hasegawa, Ken'ichi

    1983-02-01

    A 6-meter neutron small-angle scattering spectrometer has been constructed at Kyoto University Reactor (KUR) and has been used successfully for various fields of application in these three years. This paper describes overall design principles and the characteristics of the various parts of the spectrometers which can be assembled and disassembled easily at KUR. Some examples of scattering measurements are presented to show the performance of the spectrometer.

  2. Pore size distribution of shaley rock by small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Hall, P. L.; Mildner, D. F. R.; Borst, R. L.

    1983-08-01

    Information concerning pore microstructure of shaly rocks is of considerable relevance to petroleum exploration and production. Pore sizes and distributions within shaly samples have been determined by small angle neutron scattering. The data are indicative of a considerable spread of pore dimension, showing inhomogeneities with a range from 20 Å and greater. The cumulative pore volumes are compared with those derived from mercury intrusion porosimetry and nitrogen adsorption and desorption isotherms.

  3. Pore size distribution of shaly rock by small angle neutron scattering

    SciTech Connect

    Hall, P.L.; Mildner, D.F.R.; Borst, R.L.

    1983-08-01

    Information concerning pore microstructure of shaly rocks is of considerable relevance to petroleum exploration and production. Pore sizes and distributions within shaly samples have been determined by small angle neutron scattering. The data are indicative of a considerable spread of pore dimension, showing inhomogeneities with a range from 20 A and greater. The cumulative pore volumes are compared with those derived from mercury intrusion porosimetry and nitrogen adsorption and desorption isotherms.

  4. Monte Carlo-based rigid body modelling of large protein complexes against small angle scattering data.

    PubMed

    Meesters, Christian; Pairet, Bruno; Rabenhorst, Anja; Decker, Heinz; Jaenicke, Elmar

    2010-06-01

    We present a modular, collaborative, open-source architecture for rigid body modelling based upon small angle scattering data, named sas_rigid. It is designed to provide a fast and extensible scripting interface using the easy-to-learn Python programming language. Features include rigid body modelling to result in static structures and three-dimensional probability densities using two different algorithms. PMID:20598639

  5. Study of High-Frequency Impedance of Small-Angle Tapers and Collimators

    SciTech Connect

    Stupakov, Gennady; Podobedov, B.; /Brookhaven

    2010-06-04

    Collimators and transitions in accelerator vacuum chambers often include small-angle tapering to lower the wakefields generated by the beam. While the low-frequency impedance is well described by Yokoya's formula (for axisymmetric geometry), much less is known about the behavior of the impedance in the high frequency limit. In this paper we develop an analytical approach to the highfrequency regime for round collimators and tapers. Our analytical results are compared with computer simulations using the code ECHO.

  6. Effect of the concentration of inhomogeneities on the multiple small-angle neutron scattering

    SciTech Connect

    Abov, Yu. G.; Dzheparov, F. S.; Elyutin, N. O.; Lvov, D. V. Tyulyusov, A. N.

    2013-03-15

    The interference effects manifested during multiple small-angle neutron scattering (MSANS) on a chaotically arranged close-packed ensemble of scatterers have been studied. MSANS measurements have been performed for mixtures of Al and Ti-Zr alloy powders. It is shown that the results can be satisfactorily described based on a theory that takes into account spatial correlations in the arrangement of powder grains.

  7. SFF analysis of the small angle scattering data for investigation of a vesicle systems structure

    NASA Astrophysics Data System (ADS)

    Zemlyanaya, E. V.; Kiselev, M. A.; Zhabitskaya, E. I.; Gruzinov, A. Yu.; Aksenov, V. L.; Ipatova, O. M.; Druzhilovskaya, O. S.

    2016-06-01

    Experimental data on the small angle synchrotron X-ray scattering (SAXS) are analyzed on a basis of Separated form factors method (SFF) for a study of the drug delivery Phospholipid Transport Nano System (PTNS). Basic parameters of polydispersed population of PTNS nanoparticles (average radius of PTNS-particles, polydispersity of radius, thickness of membrane) have been determined. The results are discussed in comparison with the SFF results for the “classical” vesicular system of dimyristoylphosphocholine (DMPC).

  8. Study of the gel films of Acetobacter Xylinum cellulose and its modified samples by {sup 1}H NMR cryoporometry and small-angle X-ray scattering

    SciTech Connect

    Babushkina, T. A.; Klimova, T. P.; Shtykova, E. V.; Dembo, K. A.; Volkov, V. V.; Khripunov, A. K.; Klechkovskaya, V. V.

    2010-03-15

    Gel films of Acetobacter Xylinum cellulose and its modified samples have been investigated by 1H nuclear magnetic resonance (NMR) cryoporometry and small-angle X-ray scattering. The joint use of these two methods made it possible to characterize the sizes of aqueous pores in gel films and estimate the sizes of structural inhomogeneities before and after the sorption of polyvinylpyrrolidone and Se{sub 0} nanoparticles (stabilized by polyvinylpyrrolidone) into the films. According to small-angle X-ray scattering data, the sizes of inhomogeneities in a gel film change only slightly upon the sorption of polyvinylpyrrolidone and nanoparticles. The impregnated material is sorbed into water-filled cavities that are present in the gel film. {sup 1}H NMR cryoporometry allowed us to reveal the details of changes in the sizes of small aqueous pores during modifications.

  9. High-field small animal magnetic resonance oncology studies

    NASA Astrophysics Data System (ADS)

    Bokacheva, Louisa; Ackerstaff, Ellen; LeKaye, H. Carl; Zakian, Kristen; Koutcher, Jason A.

    2014-01-01

    This review focuses on the applications of high magnetic field magnetic resonance imaging (MRI) and spectroscopy (MRS) to cancer studies in small animals. High-field MRI can provide information about tumor physiology, the microenvironment, metabolism, vascularity and cellularity. Such studies are invaluable for understanding tumor growth and proliferation, response to treatment and drug development. The MR techniques reviewed here include 1H, 31P, chemical exchange saturation transfer imaging and hyperpolarized 13C MRS as well as diffusion-weighted, blood oxygen level dependent contrast imaging and dynamic contrast-enhanced MRI. These methods have been proven effective in animal studies and are highly relevant to human clinical studies.

  10. Using a Hexagonal Mirror for Varying Light Intensity in the Measurement of Small-Angle Variation.

    PubMed

    Hsieh, Meng-Chang; Lin, Jiun-You; Chang, Chia-Ou

    2016-08-16

    Precision positioning and control are critical to industrial-use processing machines. In order to have components fabricated with excellent precision, the measurement of small-angle variations must be as accurate as possible. To achieve this goal, this study provides a new and simple optical mechanism by varying light intensity. A He-Ne laser beam was passed through an attenuator and into a beam splitter. The reflected light was used as an intensity reference for calibrating the measurement. The transmitted light as a test light entered the optical mechanism hexagonal mirror, the optical mechanism of which was created by us, and then it entered the power detector after four consecutive reflections inside the mirror. When the hexagonal mirror was rotated by a small angle, the laser beam was parallel shifted. Once the laser beam was shifted, the hitting area on the detector was changed; it might be partially outside the sensing zone and would cause the variation of detection intensity. This variation of light intensity can be employed to measure small-angle variations. The experimental results demonstrate the feasibility of this method. The resolution and sensitivity are 3 × 10(-40) and 4 mW/° in the angular range of 0.6°, respectively, and 9.3 × 10(-50) and 13 mW/° in the angular range of 0.25°.

  11. Using a Hexagonal Mirror for Varying Light Intensity in the Measurement of Small-Angle Variation.

    PubMed

    Hsieh, Meng-Chang; Lin, Jiun-You; Chang, Chia-Ou

    2016-01-01

    Precision positioning and control are critical to industrial-use processing machines. In order to have components fabricated with excellent precision, the measurement of small-angle variations must be as accurate as possible. To achieve this goal, this study provides a new and simple optical mechanism by varying light intensity. A He-Ne laser beam was passed through an attenuator and into a beam splitter. The reflected light was used as an intensity reference for calibrating the measurement. The transmitted light as a test light entered the optical mechanism hexagonal mirror, the optical mechanism of which was created by us, and then it entered the power detector after four consecutive reflections inside the mirror. When the hexagonal mirror was rotated by a small angle, the laser beam was parallel shifted. Once the laser beam was shifted, the hitting area on the detector was changed; it might be partially outside the sensing zone and would cause the variation of detection intensity. This variation of light intensity can be employed to measure small-angle variations. The experimental results demonstrate the feasibility of this method. The resolution and sensitivity are 3 × 10(-40) and 4 mW/° in the angular range of 0.6°, respectively, and 9.3 × 10(-50) and 13 mW/° in the angular range of 0.25°. PMID:27537893

  12. A Hierarchical Algorithm for Fast Debye Summation with Applications to Small Angle Scattering

    PubMed Central

    Gumerov, Nail A.; Berlin, Konstantin; Fushman, David; Duraiswami, Ramani

    2012-01-01

    Debye summation, which involves the summation of sinc functions of distances between all pair of atoms in three dimensional space, arises in computations performed in crystallography, small/wide angle X-ray scattering (SAXS/WAXS) and small angle neutron scattering (SANS). Direct evaluation of Debye summation has quadratic complexity, which results in computational bottleneck when determining crystal properties, or running structure refinement protocols that involve SAXS or SANS, even for moderately sized molecules. We present a fast approximation algorithm that efficiently computes the summation to any prescribed accuracy ε in linear time. The algorithm is similar to the fast multipole method (FMM), and is based on a hierarchical spatial decomposition of the molecule coupled with local harmonic expansions and translation of these expansions. An even more efficient implementation is possible when the scattering profile is all that is required, as in small angle scattering reconstruction (SAS) of macromolecules. We examine the relationship of the proposed algorithm to existing approximate methods for profile computations, and show that these methods may result in inaccurate profile computations, unless an error bound derived in this paper is used. Our theoretical and computational results show orders of magnitude improvement in computation complexity over existing methods, while maintaining prescribed accuracy. PMID:22707386

  13. Using a Hexagonal Mirror for Varying Light Intensity in the Measurement of Small-Angle Variation

    PubMed Central

    Hsieh, Meng-Chang; Lin, Jiun-You; Chang, Chia-Ou

    2016-01-01

    Precision positioning and control are critical to industrial-use processing machines. In order to have components fabricated with excellent precision, the measurement of small-angle variations must be as accurate as possible. To achieve this goal, this study provides a new and simple optical mechanism by varying light intensity. A He-Ne laser beam was passed through an attenuator and into a beam splitter. The reflected light was used as an intensity reference for calibrating the measurement. The transmitted light as a test light entered the optical mechanism hexagonal mirror, the optical mechanism of which was created by us, and then it entered the power detector after four consecutive reflections inside the mirror. When the hexagonal mirror was rotated by a small angle, the laser beam was parallel shifted. Once the laser beam was shifted, the hitting area on the detector was changed; it might be partially outside the sensing zone and would cause the variation of detection intensity. This variation of light intensity can be employed to measure small-angle variations. The experimental results demonstrate the feasibility of this method. The resolution and sensitivity are 3 × 10−40 and 4 mW/° in the angular range of 0.6°, respectively, and 9.3 × 10−50 and 13 mW/° in the angular range of 0.25°. PMID:27537893

  14. Small-angle scatter tomography with a photon-counting detector array

    NASA Astrophysics Data System (ADS)

    Pang, Shuo; Zhu, Zheyuan; Wang, Ge; Cong, Wenxiang

    2016-05-01

    Small-angle x-ray scatter imaging has a high intrinsic contrast in cancer research and other applications, and provides information on molecular composition and micro-structure of the tissue. In general, the implementations of small-angle coherent scatter imaging can be divided into two main categories: direct tomography and angular dispersive computerized tomography. Based on the recent development of energy-discriminative photon-counting detector array, here we propose a computerized tomography setup based on energy-dispersive measurement with a photon-counting detector array. To show merits of the energy-dispersive approach, we have performed numerical tests with a phantom containing various tissue types, in comparison with the existing imaging approaches. The results show that with an energy resolution of ~6 keV, the energy dispersive tomography system with a broadband tabletop x-ray would outperform the angular dispersive system, which makes the x-ray small-angle scatter tomography promising for high-specificity tissue imaging.

  15. Effect of shadowing on electromagnetic scattering from rough ocean wavelike surfaces at small grazing angles

    SciTech Connect

    West, J.C.

    1997-03-01

    A hybrid moment-method/geometrical-theory-of-diffraction technique (MM/GTD) has been implemented to numerically calculate the electromagnetic scattering from one-dimensionally rough surfaces at extreme illumination angles (down to 0{degree} grazing). The hybrid approach allows the extension of the modeled scattering surface to infinity, avoiding the artificial edge diffraction that prevents use of the standard moment method at the smallest grazing angles. Numerical calculation of the backscattering from slightly rough large-scale surfaces approximating ocean wave features shows that roughness in strongly shadowed regions can contribute significantly to the total backscatter at vertical polarization. This is observed when the shadowing obstacle is several wavelengths high, and the magnitude of the shadow-region contribution does not depend on the radius-of-curvature of the shadowing feature. Strongly shadowed roughness does not significantly contribute to the backscatter at horizontal polarization, although weakly shadowed roughness near the incidence shadow boundary does. The calculations indicate that a shadowing-corrected two-scale model may be able to predict the distributed-surface portion of the sea-surface scattering from the ocean surface at grazing angles down to about 15{degree}, but at lower grazing the shadowing and large-scale curvature of the surface prevent the establishment of a Bragg resonance and invalidate the model.

  16. Magnetic Resonance Imaging Findings in Small Patella Syndrome.

    PubMed

    Kim, Hyoung-Soo; Yoo, Jeong-Hyun; Park, Noh-Hyuck; Chang, Jun-Hee; Ban, Yun-Seong; Song, Sang-Heon

    2016-03-01

    Small patella syndrome (SPS) is characterized by aplasia or hypoplasia of the patella and pelvic girdle abnormalities, including bilateral absence or delayed ossification of the ischiopubic junction and infra-acetabular axe-cut notches. Here, we report a case of SPS in a 26-year-old female. Magnetic resonance image (MRI) showed a small patella with thick eccentric non-ossified patellar cartilage and femoral trochlear dysplasia with hypoplastic patellar undersurface. To our knowledge, this is the first report of MRI findings in SPS. MRI findings could be clinically relevant because elongation of the medial patellofemoral ligament and trochlear dysplasia with eccentric non-ossified patellar cartilage might lead to patellofemoral maltracking with an osteochondral lesion or acute dislocation or an extensor mechanism injury. Though the patient presented in this case report only had a gastrocnemius injury at the origin site, physicians should carefully examine abnormalities with MRI when an SPS patient has a trauma to the knee. PMID:26955616

  17. Magnetic Resonance Imaging Findings in Small Patella Syndrome

    PubMed Central

    Kim, Hyoung-Soo; Yoo, Jeong-Hyun; Park, Noh-Hyuck; Chang, Jun-Hee; Ban, Yun-Seong

    2016-01-01

    Small patella syndrome (SPS) is characterized by aplasia or hypoplasia of the patella and pelvic girdle abnormalities, including bilateral absence or delayed ossification of the ischiopubic junction and infra-acetabular axe-cut notches. Here, we report a case of SPS in a 26-year-old female. Magnetic resonance image (MRI) showed a small patella with thick eccentric non-ossified patellar cartilage and femoral trochlear dysplasia with hypoplastic patellar undersurface. To our knowledge, this is the first report of MRI findings in SPS. MRI findings could be clinically relevant because elongation of the medial patellofemoral ligament and trochlear dysplasia with eccentric non-ossified patellar cartilage might lead to patellofemoral maltracking with an osteochondral lesion or acute dislocation or an extensor mechanism injury. Though the patient presented in this case report only had a gastrocnemius injury at the origin site, physicians should carefully examine abnormalities with MRI when an SPS patient has a trauma to the knee. PMID:26955616

  18. Structural changes in C–S–H gel during dissolution: Small-angle neutron scattering and Si-NMR characterization

    SciTech Connect

    Trapote-Barreira, Ana; Porcar, Lionel; Cama, Jordi; Soler, Josep M.; Allen, Andrew J.

    2015-06-15

    Flow-through experiments were conducted to study the calcium–silicate–hydrate (C–S–H) gel dissolution kinetics. During C–S–H gel dissolution the initial aqueous Ca/Si ratio decreases to reach the stoichiometric value of the Ca/Si ratio of a tobermorite-like phase (Ca/Si = 0.83). As the Ca/Si ratio decreases, the solid C–S–H dissolution rate increases from (4.5 × 10{sup −} {sup 14} to 6.7 × 10{sup −} {sup 12}) mol m{sup −} {sup 2} s{sup −} {sup 1}. The changes in the microstructure of the dissolving C–S–H gel were characterized by small-angle neutron scattering (SANS) and {sup 29}Si magic-angle-spinning nuclear magnetic resonance ({sup 29}Si-MAS NMR). The SANS data were fitted using a fractal model. The SANS specific surface area tends to increase with time and the obtained fit parameters reflect the changes in the nanostructure of the dissolving solid C–S–H within the gel. The {sup 29}Si MAS NMR analyses show that with dissolution the solid C–S–H structure tends to a more ordered tobermorite structure, in agreement with the Ca/Si ratio evolution.

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

    NASA Astrophysics Data System (ADS)

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

    2009-09-01

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

  20. Nanostructure surveys of macroscopic specimens by small-angle scattering tensor tomography

    NASA Astrophysics Data System (ADS)

    Liebi, Marianne; Georgiadis, Marios; Menzel, Andreas; Schneider, Philipp; Kohlbrecher, Joachim; Bunk, Oliver; Guizar-Sicairos, Manuel

    2015-11-01

    The mechanical properties of many materials are based on the macroscopic arrangement and orientation of their nanostructure. This nanostructure can be ordered over a range of length scales. In biology, the principle of hierarchical ordering is often used to maximize functionality, such as strength and robustness of the material, while minimizing weight and energy cost. Methods for nanoscale imaging provide direct visual access to the ultrastructure (nanoscale structure that is too small to be imaged using light microscopy), but the field of view is limited and does not easily allow a full correlative study of changes in the ultrastructure over a macroscopic sample. Other methods of probing ultrastructure ordering, such as small-angle scattering of X-rays or neutrons, can be applied to macroscopic samples; however, these scattering methods remain constrained to two-dimensional specimens or to isotropically oriented ultrastructures. These constraints limit the use of these methods for studying nanostructures with more complex orientation patterns, which are abundant in nature and materials science. Here, we introduce an imaging method that combines small-angle scattering with tensor tomography to probe nanoscale structures in three-dimensional macroscopic samples in a non-destructive way. We demonstrate the method by measuring the main orientation and the degree of orientation of nanoscale mineralized collagen fibrils in a human trabecula bone sample with a spatial resolution of 25 micrometres. Symmetries within the sample, such as the cylindrical symmetry commonly observed for mineralized collagen fibrils in bone, allow for tractable sampling requirements and numerical efficiency. Small-angle scattering tensor tomography is applicable to both biological and materials science specimens, and may be useful for understanding and characterizing smart or bio-inspired materials. Moreover, because the method is non-destructive, it is appropriate for in situ measurements and

  1. Small-angle scattering studies of meso-scopic structures with synchrotron X-rays

    NASA Astrophysics Data System (ADS)

    Dore, J. C.; North, A. N.; Rigden, J. S.

    1995-03-01

    The use of small-angle X-ray scattering techniques for the study of spatial inhomogeneities over the range 20 Å to 2 μm is reviewed. The basic formalism for scattering by an inhomogeneous medium is developed with particular reference to liquid suspensions, porous solids and solid aggregates. The instrumentation available on the Synchrotron Radiation Source at the Daresbury Laboratory is briefly presented and the use of the Bonse-Hart method for studies at ultra-low scattering angles described. The extraction of structural information for a range of natural and synthetic materials is presented with particular reference to microemulsions, porous silicas, clays and composites. The complementarity of X-ray and neutron techniques is critically reviewed and prospects for future developments, particularly for the study of anisotropic systems, are discussed.

  2. Focusing of Gaussian beam passed under small angle to optical axis of uniaxial crystal

    NASA Astrophysics Data System (ADS)

    Ivanov, M. O.; Shostka, N. V.

    2016-07-01

    We showed both experimentally and analytically, the effect of focusing of a Gaussian beam propagated under small angle ϕ with respect to the optical axis of a uniaxial crystal, on the generation of a bottle beam. At ϕ = 0° two foci that correspond to ordinary and extraordinary parts of a beam form a closed 3D structure of a bottle beam. At this point, the beam, in the foci points, has radially and azimuthally aligned polarizations. Increasing the value of ϕ leads to dramatic changes in the intensity and polarization structure of a bottle beam. Starting from the value of ϕ = ±2° the closed 3D symmetric structure of a bottle beam breaks down. At ϕ = ±5° both beams are focused at the same transverse plane, while its polarization evolves to x- and y-linear. With a further increase in angle ϕ two foci ‘switch’ their spatial positions and move further away.

  3. Cylindrical aggregates of chlorophylls studied by small-angle neutron scatter

    SciTech Connect

    Worcester, D.L.; Katz, J.J.

    1994-12-31

    Neutron small-angle scattering has demonstrated tubular chlorophyll aggregates formed by self-assembly of a variety of chlorophyll types in nonpolar solvents. The size and other properties of the tubular aggregates can be accounted for by stereochemical properties of the chlorophyll molecules. Features of some of the structures are remarkably similar to light harvesting chlorophyll complexes in vivo, particularly for photosynthetic bacteria. These nanotube chlorophyll structures may have applications as light harvesting biomaterials where efficient energy transfer occurs from an excited state which is highly delocalized.

  4. Analysis of C-S-H gel and cement paste by small-angle neutron scattering

    SciTech Connect

    Allen, Andrew J. . E-mail: andrew.allen@nist.gov; Thomas, Jeffrey J. . E-mail: jthomas@northwestern.edu

    2007-03-15

    The role of small-angle X-ray and neutron scattering (SAXS and SANS) in the characterization of cement is briefly reviewed. The unique information obtainable from SANS analysis of C-S-H gel in hydrating cement is compared with that obtainable by other neutron methods. Implications for the nature of C-S-H gel, as detected by SANS, are considered in relation to current models. Finally, the application of the SANS method to cement paste is demonstrated by analyzing the effects of calcium chloride acceleration and sucrose retardation on the resulting hydrated microstructure.

  5. Direct Observation Of Nanoparticle-Surfactant Interactions Using Small Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Kumar, Sugam; Aswal, V. K.

    2010-12-01

    Interactions of anionic silica nanoparticles with anionic, cationic and nonionic surfactants have directly been studied by contrast variation small angle neutron scattering (SANS). The measurements are performed on 1 wt% of both silica nanoparticles and surfactants of anionic sodium dodecyle sulphate (SDS), cationic dodecyltrimethyl ammonium bromide (DTAB) and non-ionic polyoxyethylene 10 lauryl ether (C12E10) in aqueous solution. We show that there is no direct interaction in the case of SDS with silica particles, whereas strong interaction for DTAB leads to the aggregation of silica particles. The interaction of C12E10 is found through the micelles adsorbed on the silica particles.

  6. From small angle x-ray scattering to reflectivity: Instrumentation and sample study

    SciTech Connect

    Hua, D.W.; Beaucage, G.; Kent, M.S.

    1996-02-01

    In this study, we described the first results from an x-ray reflectometer which has been modified from an existing Kratky small angle x-ray scattering (SAXS) camera at the UNM/Sandia scattering center. Typically, seven orders of magnitude of reflectivity can be obtained over a range of 0.02 to 0.5 A{sup {minus}1} in {ital q}. This allows the resolution of surface features of 10 to 1000 A. The conversion to reflectometer is reversible and can be achieved in a short time, allowing for dual use of an existing Kratky camera. {copyright} {ital 1996 Materials Research Society.}

  7. Correlation between fractal dimension and surface characterization by small angle X-ray scattering in marble.

    PubMed

    Salinas-Nolasco, Manlio Favio; Méndez-Vivar, Juan

    2010-03-16

    Among several analysis techniques applied to the study of surface passivation using dicarboxylic acids, small angle X-ray scattering (SAXS) has proved to be relevant in the physicochemical interpretation of the surface association resulting between calcium carbonate and the molecular structure of malonic acid. It is possible to establish chemical affinity principles through bidimensional geometric analysis in terms of the fractal dimension obtained experimentally by SAXS. In this Article, we present results about the adsorption of malonic acid on calcite, using theoretical and mathematical principles of the fractal dimension.

  8. Effect of Dzyaloshinski-Moriya interaction on elastic small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Michels, Andreas; Mettus, Denis; Honecker, Dirk; Metlov, Konstantin L.

    2016-08-01

    For magnetic materials containing many lattice imperfections (e.g., nanocrystalline magnets), the relativistic Dzyaloshinski-Moriya (DM) interaction may result in nonuniform spin textures due to the lack of inversion symmetry at interfaces. Within the framework of the continuum theory of micromagnetics, we explore the impact of the DM interaction on the elastic magnetic small-angle neutron scattering (SANS) cross section. It is shown that the DM interaction gives rise to a polarization-dependent asymmetric term in the spin-flip SANS cross section. Analysis of this feature may provide a means to determine the DM constant.

  9. Small-angle and surface scattering from porous and fractal materials.

    SciTech Connect

    Sinha, S. K.

    1998-09-18

    We review the basic theoretical methods used to treat small-angle scattering from porous materials, treated as general two-phase systems, and also the basic experimental techniques for carrying out such experiments. We discuss the special forms of the scattering when the materials exhibit mass or surface fractal behavior, and review the results of recent experiments on several types of porous media and also SANS experiments probing the phase behavior of binary fluid mixtures or polymer solutions confined in porous materials. Finally, we discuss the analogous technique of off-specular scattering from surfaces and interfaces which is used to study surface roughness of various kinds.

  10. Small Angle Neutron Scattering Observation of Chain Retraction after a Large Step Deformation

    SciTech Connect

    Blanchard, A.; Heinrich, M.; Pyckhout-Hintzen, W.; Richter, D.; Graham, R.S.; Likhtman, A.E.; McLeish, T.C.B.; Read, D.J.; Straube, E.; Kohlbrecher, J.

    2005-10-14

    The process of retraction in entangled linear chains after a fast nonlinear stretch was detected from time-resolved but quenched small angle neutron scattering (SANS) experiments on long, well-entangled polyisoprene chains. The statically obtained SANS data cover the relevant time regime for retraction, and they provide a direct, microscopic verification of this nonlinear process as predicted by the tube model. Clear, quantitative agreement is found with recent theories of contour length fluctuations and convective constraint release, using parameters obtained mainly from linear rheology. The theory captures the full range of scattering vectors once the crossover to fluctuations on length scales below the tube diameter is accounted for.

  11. Sample environments and techniques combined with small angle X-ray scattering.

    PubMed

    Bras, W; Ryan, A J

    1998-03-31

    The number of synchrotron radiation-based Small Angle X-ray Scattering beamlines has increased considerably over the last decade. With the high X-ray flux and collimation of these beamlines it not only has become possible to perform time-resolved experiments on time scales down to the millisecond/frame range, but also it allows experimenters to utilise new sample environments and use simultaneous several experimental techniques on one sample. An overview of recent developments in this field is given.

  12. Characterising density fluctuations in liquid yttria aluminates with small angle x-ray scattering

    SciTech Connect

    Greaves, G. Neville; Wilding, Martin C.; Vu Van, Quang; Majerus, Odile; Hennet, Louis

    2009-01-29

    Small angle x-ray scattering (SAXS) has been measured in the wavevector range 0.01

  13. Study of Nano-Precipitates Using Small-Angle Neutron Scattering

    SciTech Connect

    Chen, Wei-Ren

    2008-01-01

    Small-Angle-Neutron-Scattering (SANS) experiments were performed on a Ni-based nano-precipitate strengthened superalloy. A theoretical model for SANS absolute intensity distribution, I(Q), was developed to extract the structural properties. During the deformation process, a change in the morphology of precipitates was discovered. However, the average inter-precipitate distance and the average volume of precipitate were found to remain invariant. This microstructural information resolved by SANS is in good agreement with the results obtained from the quantitative transmission-electron-microscopy (TEM) image analysis.

  14. Small angle X-ray and neutron scattering on cadmium sulfide nanoparticles in silicate glass

    NASA Astrophysics Data System (ADS)

    Kuznetsova, Yu. V.; Rempel, A. A.; Meyer, M.; Pipich, V.; Gerth, S.; Magerl, A.

    2016-08-01

    Small angle X-ray and neutron scattering on Cd and S doped glass annealed at 600 °C shows after the first 12 h nucleation and growth of spherical CdS nanoparticles with a radius of up to 34±4 Å. After the nucleation is completed after 24 h, further growth in this amorphous environment is governed by oriented particle attachment mechanism as found for a liquid medium. Towards 48 h the particle shape has changed into spheroidal with short and long axis of 40±2 Å and 120±2 Å, respectively.

  15. DAMMIF, a program for rapid ab-initio shape determination in small-angle scattering

    PubMed Central

    Franke, Daniel; Svergun, Dmitri I.

    2009-01-01

    DAMMIF, a revised implementation of the ab-initio shape-determination program DAMMIN for small-angle scattering data, is presented. The program was fully rewritten, and its algorithm was optimized for speed of execution and modified to avoid limitations due to the finite search volume. Symmetry and anisometry constraints can be imposed on the particle shape, similar to DAMMIN. In equivalent conditions, DAMMIF is 25–40 times faster than DAMMIN on a single CPU. The possibility to utilize multiple CPUs is added to DAMMIF. The application is available in binary form for major platforms.

  16. Study of chemically unfolded β-casein by means of small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Aschi, Adel; Gharbi, Abdelhafidh; Daoud, Mohamed; Douillard, Roger; Calmettes, Patrick

    2007-01-01

    β-casein is a flexible amphiphilic milk protein which forms an unfolded conformation in presence of very high denaturant concentrations. The structure of β-casein formed at the bulk was studied by small-angle neutron scattering (SANS). The value of the second virial coefficient of the protein solutions indicates that the interactions between the polypeptide chain and solvent are repulsive. The protein conformation is similar to an excluded volume chain. The corresponding values of the contour length, L, the statistical length, b and the apparent radius of the chain cross-section, Rc are given.

  17. Small angle neutron scattering from nanocrystalline Pd and Co compacted at elevated temperatures

    SciTech Connect

    Sanders, P.G.; Weertman, J.R.; Barker, J.G.; Siegel, R.W.

    1994-05-01

    Nanocrystalline (n-) Cu and Pd, prepared by inert gas condensation and in situ room temperature (RT) and elevated temperature (warm) compactions, have been studied by small angle neutron scattering (SANS). Previous work on RT compacted and subsequently annealed n-Pd seemed to show that all the scattering could be accounted for by a distribution of pores. Analysis of more extensive SANS measurements, together with results of prompt gamma activation analysis, indicates that the SANS can be explained by the presence of pores and hydrogen. Warm compaction reduces the hydrogen impurity level, while increasing the bulk density and decreasing the pore size. This can lead to a dramatic hardness increase in these materials.

  18. High Field Small Animal Magnetic Resonance Oncology Studies

    PubMed Central

    Bokacheva, Louisa; Ackerstaff, Ellen; LeKaye, H. Carl; Zakian, Kristen; Koutcher, Jason A.

    2014-01-01

    This review focuses on the applications of high magnetic field magnetic resonance imaging (MRI) and spectroscopy (MRS) to cancer studies in small animals. High field MRI can provide information about tumor physiology, the microenvironment, metabolism, vascularity and cellularity. Such studies are invaluable for understanding tumor growth and proliferation, response to treatment and drug development. The MR techniques reviewed here include 1H, 31P, Chemical Exchange Saturation Transfer (CEST) imaging, and hyperpolarized 13C MR spectroscopy as well as diffusion-weighted, Blood Oxygen Level Dependent (BOLD) contrast imaging, and dynamic contrast-enhanced MR imaging. These methods have been proven effective in animal studies and are highly relevant to human clinical studies. PMID:24374985

  19. Rotor Design for High Pressure Magic Angle Spinning Nuclear Magnetic Resonance

    SciTech Connect

    Turcu, Romulus V.F.; Hoyt, David W.; Rosso, Kevin M.; Sears, Jesse A.; Loring, John S.; Felmy, Andrew R.; Hu, Jian Z.

    2013-01-01

    High pressure magic angle spinning (MAS) nuclear magnetic resonance (NMR) with a sample spinning rate exceeding 2.1 kHz and pressure greater than 165 bar has never been realized. In this work, a new sample cell design is reported, suitable for constructing cells of different sizes. Using a 7.5 mm high pressure MAS rotor as an example, internal pressure as high as 200 bar at a sample spinning rate of 6 kHz is achieved. The new high pressure MAS rotor is re-usable and compatible with most commercial NMR set-ups, exhibiting low 1H and 13C NMR background and offering maximal NMR sensitivity. As an example of its many possible applications, this new capability is applied to determine reaction products associated with the carbonation reaction of a natural mineral, antigorite ((Mg,Fe2+)3Si2O5(OH)4), in contact with liquid water in water-saturated supercritical CO2 (scCO2) at 150 bar and 50 deg C. This mineral is relevant to the deep geologic disposal of CO2, but its iron content results in too many sample spinning sidebands at low spinning rate. Hence, this chemical system is a good case study to demonstrate the utility of the higher sample spinning rates that can be achieved by our new rotor design. We expect this new capability will be useful for exploring solid-state, including interfacial, chemistry at new levels of high-pressure in a wide variety of fields.

  20. EDITORIAL Proceedings of the XIV International Conference on Small-Angle Scattering, SAS-2009

    NASA Astrophysics Data System (ADS)

    Ungar, Goran; Heenan, Richard

    2010-10-01

    There are 52 papers in these Proceedings. The papers are divided into 10 thematic sections and a section for invited papers and reviews. The sections and the respective section editors are given below. Section Editor(s) Invited Papers and Reviews Peter Griffiths, Wim Bras, Rudolf Winter Beamlines and Instrumentation Elliot Gilbert, Wim Bras, Nigel Rhodes Theory, Data processing and Modelling Jan Skov Pedersen, Carlo Knupp Biological Systems and Membranes Richard Heenan, Cameron Neylon Ceramics, Glasses and Porous Materials Rudolf Winter Colloids and Solutions Peter Griffiths Hierarchical Structures and Fibres Steve Eichhorn, Karen Edler Metallic and Magnetic Systems Armin Hoell Polymers Patrick Fairclough Time resolved Diffraction, Kinetic and Dynamical Studies João Cabral, Christoph Rau We are grateful to all section editors and the many anonymous referees for their invaluable effort which made the publication of the Proceedings possible. The refereeing process was strict and thorough, some papers were rejected and most were improved. The resulting compendium gives a good overview of recent developments in small-angle X-ray and neutron scattering theory, application, methods of analysis and instrumentation. Thus it should be a useful source of reference for a number of years to come. The papers are a good reflection of the material presented at the meeting. Because of the general high quality of the articles, it was difficult to decide which to highlight and be fair to all contributors. The following in particular have caught the attention of the editors. Highlighted papers A statistical survey of publications reporting the application of SAXS and SANS by Aldo Craievich (paper 012003) is recommended reading for anyone needing convincing about the vibrancy of this scientific field and the ever expanding use of these techniques. Two aspects of coherent X-ray scattering, made available by the advent of the 3rd generation synchrotron sources, are discussed in the

  1. Investigation of the tripoli porous structure by small-angle neutron scattering

    SciTech Connect

    Avdeev, M. V.; Blagoveshchenskii, N. M.; Garamus, V. M.; Novikov, A. G. Puchkov, A. V.

    2011-12-15

    The characteristics of the tripoli porous structure have been investigated by small-angle neutron scattering (SANS). Tripoli is a finely porous sedimentary rock formed by small spherical opal particles. Its main component is aqueous silica SiO{sub 2} {center_dot} nH{sub 2}O (80-90%). Tripoli is widely used in practice as a working medium for sorption filters and in some other commercial and construction technologies. The shape of the experimental SANS curves indicates the presence of small and large pores in tripoli. The small-pore size was estimated to be {approx}100 Angstrom-Sign . The size of large pores turned out to be beyond the range of neutron wave vector transfers Q that are available for the instrument used; however, their size was indirectly estimated to be {approx}(2000-2500) Angstrom-Sign . The pores of both groups behave as surfacetype fractal scatterers with the fractal dimension D {approx} 2.2-2.6. The densities of pores of these two groups differ by approximately three orders of magnitude ({approx}10{sup 16} and {approx}10{sup 13} cm{sup -3} for small and large pores, respectively); the fraction of large pores amounts to 70-80% of the total pore volume. The found pore characteristics (their densities, sizes, and relative volumes) are in satisfactory agreement (when a comparison is possible) with the absorption data.

  2. Comparison of tibial plateau angles in small and large breed dogs

    PubMed Central

    Su, Lillian; Townsend, Katy L.; Au, Jennifer; Wittum, Thomas E.

    2015-01-01

    Cranial cruciate ligament (CCL) disease can affect dogs of all sizes. The literature describing tibial plateau angle (TPA) in small breed dogs is limited. A retrospective study was conducted in unselected dogs presented for stifle or tibial examination to compare TPA in small breed dogs (n = 146 dogs, 185 stifles) versus large breed dogs (n = 200 dogs, 265 stifles). Small breed dogs had a mean TPA 3.1° ± 0.6° higher than large breed dogs. There were higher TPAs in spayed females and castrated males for all dogs compared with intact males (3.6° ± 1.0° and 2.7° ± 1.0°, respectively). Dogs with unilateral and bilateral CCL disease had higher TPAs compared to dogs with intact CCLs (2.0° ± 0.7° and 2.5° ± 0.8°, respectively). Tibial morphology differs between large and small breed dogs; however, the significance of the impact of TPA on CCL disease in small breed dogs is unknown. PMID:26028684

  3. Comparison of tibial plateau angles in small and large breed dogs.

    PubMed

    Su, Lillian; Townsend, Katy L; Au, Jennifer; Wittum, Thomas E

    2015-06-01

    Cranial cruciate ligament (CCL) disease can affect dogs of all sizes. The literature describing tibial plateau angle (TPA) in small breed dogs is limited. A retrospective study was conducted in unselected dogs presented for stifle or tibial examination to compare TPA in small breed dogs (n = 146 dogs, 185 stifles) versus large breed dogs (n = 200 dogs, 265 stifles). Small breed dogs had a mean TPA 3.1° ± 0.6° higher than large breed dogs. There were higher TPAs in spayed females and castrated males for all dogs compared with intact males (3.6° ± 1.0° and 2.7° ± 1.0°, respectively). Dogs with unilateral and bilateral CCL disease had higher TPAs compared to dogs with intact CCLs (2.0° ± 0.7° and 2.5° ± 0.8°, respectively). Tibial morphology differs between large and small breed dogs; however, the significance of the impact of TPA on CCL disease in small breed dogs is unknown.

  4. Optical and Geometric Properties of Free Silica Nanoparticles Studied by Small-Angle X-Ray Scattering

    NASA Astrophysics Data System (ADS)

    Langer, Burkhard; Raschpichler, Christopher; Gruner, Mathias; Antonsson, Egill; Goroncy, Christian; Graf, Christina; Rühl, Eckart

    2016-09-01

    Elastic small-angle X-ray scattering (SAXS) of free silica (SiO2) nanoparticles is reported (d = 100-180 nm). The particles were prepared by a modified Stöber synthesis in narrow size distributions with controlled surface roughness and functionalization. Angle-resolved small-angle X-ray scattering patterns are shown to be sensitive to these changes in particle properties. It is reported that there is an exponential decrease in scattered X-ray intensity towards larger scattering angles as well as distinct oscillations, which is fully explained by Mie theory. Small-angle X-ray scattering of mesoporous nanoparticles with rough surfaces is compared to that of microporous nanoparticles with smooth surfaces, revealing distinct differences that are rationalized by diffuse scattering from nanoparticle pores in addition to the dominating contribution of Mie scattering. Furthermore, results from small-angle X-ray scattering experiments on functionalized silica nanoparticles are presented, where the incorporation of the dye fluorescein isothiocyanate is found to cause changes in the optical properties of the nanoparticles, as compared to non-functionalized samples. Small, but distinct deviations in particle size derived from electron microscopy and from small-angle X-ray scattering are observed. These are rationalized by particle shrinking occurring in electron microscopy as well as slight changes in optical properties of the nanoparticle samples.

  5. Structure-property relationships in Waspaloy via small angle scattering and electrical resistivity measurements

    SciTech Connect

    Whelchel, R.; Gerhardt, Dr. Rosario; Littrell, Ken

    2010-01-01

    The mechanical properties in superalloys are controlled by the distribution of the {gamma}{prime} precipitate phase. Electrical measurements have been shown to be sensitive to certain aspects of the precipitation process and show promise for predicting the evolving microstructural state in superalloys. Aging experiments were conducted on Waspaloy samples for temperatures between 600 and 950 C for times ranging from 2min to 500h. Particle size distributions were obtained by modeling of small angle scattering (SAS) data, whereas, small precipitate size information, strain, and lattice mismatch data were obtained from X-ray diffraction. The microstructural information was then used to create a figure of merit of electron scattering intended to correlate electrical properties to the precipitate microstructure. The proposed figure of merit shows an empirical correlation with the electrical resistivity data, demonstrating the sensitivity of the resistivity measurements to the precipitation process and coarsening behavior.

  6. Time resolved small angle x-ray scattering reactivity studies on coals, asphaltenes, and polymers.

    SciTech Connect

    Seifert, S.; Thiyagarajan, P.; Winans, R. E.

    1999-07-02

    The objective of this study is to examine changes in the structures of coals, asphaltenes, and polymers in situ with small angle X-ray scattering (SAXS) during thermal treatments. We have built a SAXS instrument at the Basic Energy Sciences Synchrotrons Radiation Center at the Advanced Photon Source that allows us to obtain scattering data on very small samples and in the millisecond time domain. The Argonne Premium Coal samples, petroleum derived asphaltenes, and polymers with functionality to model fossil fuels were used in this study. The information that can be derived from these experiments includes: changes in fractal dimensionality, surface topology, and size and type of porosity. The information is correlated with other methods on the same samples.

  7. Sample holder for small-angle x-ray scattering static and flow cell measurements

    SciTech Connect

    Lipfert, Jan; Millett, Ian S.; Seifert, Soenke; Doniach, Sebastian

    2006-04-15

    We present the design of a sample holder for small-angle x-ray scattering (SAXS) that can be used for both static and flow cell measurements, allowing to switch between these two types of measurement without having to realign the detector and camera geometry. The device makes possible high signal-to-noise experiments with sample volumes as small as 16 {mu}l and can be thermocontrolled using a standard circulating water bath. The setup has been used successfully for a range of biological SAXS measurements, including peptides, detergent micelles, membrane proteins, and nucleic acids. As a performance test, we present scattering data for horse heart cytochrome c, collected at the BESSRC CAT beam line 12-ID of the Advanced Photon Source. The design drawings are provided in the supplementary material.

  8. Micelle structural studies on oil solubilization by a small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Putra, Edy Giri Rachman; Seong, Baek Seok; Ikram, Abarrul

    2009-02-01

    A small-angle neutron scattering (SANS) technique was applied to reveal the micelle structural changes. The micelle structural changes of 0.3 M sodium dodecyl sulfate (SDS) concentration by addition of various oil, i.e. n-hexane, n-octane, and n-decane up to 60% (v/v) have been investigated. It was found that the size, aggregation number and the structures of the micelles changed exhibiting that the effective charge on the micelle decreases with an addition of oil. There was a small increase in minor axis of micelle while the correlation peak shifted to a lower momentum transfer Q and then to higher Q by a further oil addition.

  9. On the effect of emergence angle on emissivity spectra: application to small bodies

    NASA Astrophysics Data System (ADS)

    Maturilli, Alessandro; Helbert, Jörn; Ferrari, Sabrina; D'Amore, Mario

    2016-05-01

    Dependence of laboratory-measured emissivity spectra from the emergence angle is a subject that still needs a lot of investigations to be fully understood. Most of the previous work is based on reflectance measurements in the VIS-NIR spectral region and on emissivity measurements of flat, solid surfaces (mainly metals), which are not directly applicable to the analysis of remote sensing data. Small bodies in particular (c.f. asteroids Itokawa and 1999JU3, the respective targets of JAXA Hayabusa and Hayabusa 2 missions) have a very irregular surface; hence, the spectra from those rough surfaces are difficult to compare with laboratory spectra, where the observing geometry is always close to "nadir." At the Planetary Emissivity Laboratory of the German Aerospace Center (DLR), we have set up a series of spectral measurements to investigate this problem in the 1- to 16-µm spectral region. We measured the emissivity for two asteroid analogue materials (meteorite Millbillillie and a synthetic enstatite) in vacuum and under purged air, at surface temperature of 100 °C, for emergence angles of 0°, 5°, 10°, 20°, 30°, 40°, 50°, and 60°. Emissivity of a serpentinite slab, already used as calibration target for the MARA instrument on Hayabusa 2 MASCOT lander and for the thermal infrared imager spectrometer on Hayabusa 2 orbiter, was measured under the same conditions. Additionally, a second basalt slab was measured. Both slabs were not measured at 5° inclination. Complementary reflectance measurements of the four samples were taken. For all the samples measured, we found that for calibrated emissivity, significant variations from values obtained at nadir (0° emergence angle) appear only for emergence angles ≥40°. Reflectance measurements confirmed this finding, showing the same trend of variations.

  10. Wavelength-independent constant period spin-echo modulated small angle neutron scattering.

    PubMed

    Sales, Morten; Plomp, Jeroen; Habicht, Klaus; Tremsin, Anton; Bouwman, Wim; Strobl, Markus

    2016-06-01

    Spin-Echo Modulated Small Angle Neutron Scattering (SEMSANS) in Time-of-Flight (ToF) mode has been shown to be a promising technique for measuring (very) small angle neutron scattering (SANS) signals and performing quantitative Dark-Field Imaging (DFI), i.e., SANS with 2D spatial resolution. However, the wavelength dependence of the modulation period in the ToF spin-echo mode has so far limited the useful modulation periods to those resolvable with the limited spatial resolution of the detectors available. Here we present our results of an approach to keep the period of the induced modulation constant for the wavelengths utilised in ToF. This is achieved by ramping the magnetic fields in the coils responsible for creating the spatially modulated beam in synchronisation with the neutron pulse, thus keeping the modulation period constant for all wavelengths. Such a setup enables the decoupling of the spatial detector resolution from the resolution of the modulation period by the use of slits or gratings in analogy to the approach in grating-based neutron DFI.

  11. Small-angle neutron and dynamic light scattering study of gelatin coacervates

    NASA Astrophysics Data System (ADS)

    Mohanty, B.; Aswal, V. K.; Goyal, P. S.; Bohidar, H. B.

    2004-08-01

    The state of intermolecular aggregates and that of folded gelatin molecules could be characterized by dynamic laser light and small-angle neutron scattering experiments, which implied spontaneous segregation of particle sizes preceding coacervation, which is a liquid-liquid phase transition phenomenon. Dynamic light scattering (DLS) data analysis revealed two particle sizes until precipitation was reached. The smaller particles having a diameter of 50 nm (stable nanoparticles prepared by coacervation method) were detected in the supernatant, whereas the inter-molecular aggregates having a diameter of 400 nm gave rise to coacervation. Small-angle neutron scattering (SANS) experiments revealed that typical mesh size of the networks exist in polymer dense phase (coacervates) [1]. Analysis of the SANS structure factor showed the presence of two length scales associated with this system that were identified as the correlation length or mesh size, xi = 10.6 Å of the network and the other is the size of inhomogeneities = 21.4 Å. Observations were discussed based on the results obtained from SANS experiments performed in 5% (w/v) gelatin solution at 60oC (xi = 50 Å, zeta = 113 Å) and 5% (w/v) gel at 28oC (xi = 47 Å, zeta = 115 Å) in aqueous phase [2] indicating smaller length scales in coacervate as compared to sol and gel.

  12. SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions

    PubMed Central

    Breßler, Ingo; Kohlbrecher, Joachim; Thünemann, Andreas F.

    2015-01-01

    SASfit is one of the mature programs for small-angle scattering data analysis and has been available for many years. This article describes the basic data processing and analysis workflow along with recent developments in the SASfit program package (version 0.94.6). They include (i) advanced algorithms for reduction of oversampled data sets, (ii) improved confidence assessment in the optimized model parameters and (iii) a flexible plug-in system for custom user-provided models. A scattering function of a mass fractal model of branched polymers in solution is provided as an example for implementing a plug-in. The new SASfit release is available for major platforms such as Windows, Linux and MacOS. To facilitate usage, it includes comprehensive indexed documentation as well as a web-based wiki for peer collaboration and online videos demonstrating basic usage. The use of SASfit is illustrated by interpretation of the small-angle X-ray scattering curves of monomodal gold nanoparticles (NIST reference material 8011) and bimodal silica nanoparticles (EU reference material ERM-FD-102). PMID:26500467

  13. Small-angle neutron and X-ray scattering reveal conformational changes in rhodopsin activation

    NASA Astrophysics Data System (ADS)

    Shrestha, Utsab R.; Bhowmik, Debsindhu; Perera, Suchitrhanga M. C. D.; Chawla, Udeep; Struts, Andrey V.; Graziono, Vito; Pingali, Sai Venkatesh; Heller, William T.; Qian, Shuo; Brown, Michael F.; Chu, Xiang-Qiang

    2015-03-01

    Understanding G-protein-coupled receptor (GPCR) activation plays a crucial role in the development of novel improved molecular drugs. During photo-activation, the retinal chromophore of the visual GPCR rhodopsin isomerizes from 11-cis to all-trans conformation, yielding an equilibrium between inactive Meta-I and active Meta-II states. The principal goals of this work are to address whether the activation of rhodopsin leads to a single state or a conformational ensemble, and how protein organizational structure changes with detergent environment in solution. We use both small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS) techniques to answer the above questions. For the first time we observe the change in protein conformational ensemble upon photo-activation by SANS with contrast variation, which enables the separate study of the protein structure within the detergent assembly. In addition, SAXS study of protein structure within detergent assembly suggests that the detergent molecules form a belt of monolayer (micelle) around protein with different geometrical shapes to keep the protein in folded state.

  14. Two-dimensional granular flow in a vibrated small-angle funnel

    PubMed

    Lindemann; Dimon

    2000-10-01

    We have studied the flow of a single layer of uniform balls in a small-angle funnel when it is vibrated parallel to the flow. Generally, we measured the flow rate as a function of a dimensionless acceleration Gamma. However, for sufficiently small outlet widths, the flow can jam so we also measured the elapsed times between balls and their correlations to study jam dynamics. In particular, we found that when the funnel angle beta was larger than approximately 4 degrees, a stable jam always formed for Gamma<1 and the flow stopped. For Gamma approximately 1-4, jams still occurred, but now they broke and reformed, although they could last approximately 100 s, resulting in long-time correlations in the flow. The elapsed time distributions in this case show distinct, possibly algebraic, tails. Beyond Gamma approximately 4, the flow no longer jammed and the flow rate became constant. The general behavior has been mapped out in a rough phase diagram.

  15. Small-angle scattering for structural biology—Expanding the frontier while avoiding the pitfalls

    PubMed Central

    Jacques, David A; Trewhella, Jill

    2010-01-01

    The last decade has seen a dramatic increase in the use of small-angle scattering for the study of biological macromolecules in solution. The drive for more complete structural characterization of proteins and their interactions, coupled with the increasing availability of instrumentation and easy-to-use software for data analysis and interpretation, is expanding the utility of the technique beyond the domain of the biophysicist and into the realm of the protein scientist. However, the absence of publication standards and the ease with which 3D models can be calculated against the inherently 1D scattering data means that an understanding of sample quality, data quality, and modeling assumptions is essential to have confidence in the results. This review is intended to provide a road map through the small-angle scattering experiment, while also providing a set of guidelines for the critical evaluation of scattering data. Examples of current best practice are given that also demonstrate the power of the technique to advance our understanding of protein structure and function. PMID:20120026

  16. A small-angle x-ray scattering system with a vertical layout

    NASA Astrophysics Data System (ADS)

    Wang, Zhen; Chen, Xiaowei; Meng, Lingpu; Cui, Kunpeng; Wu, Lihui; Li, Liangbin

    2014-12-01

    A small-angle x-ray scattering (SAXS) system with a vertical layout (V-SAXS) has been designed and constructed for in situ detection on nanostructures, which is well suitable for in situ study on self-assembly of nanoparticles at liquid interface and polymer processing. A steel-tower frame on a reinforced basement is built as the supporting skeleton for scattering beam path and detector platform, ensuring the system a high working stability and a high operating accuracy. A micro-focus x-ray source combining parabolic three-dimensional multi-layer mirror and scatteringless collimation system provides a highly parallel beam, which allows us to detect the very small angle range. With a sample-to-detector distance of 7 m, the largest measurable length scale is 420 nm in real space. With a large sample zone, it is possible to install different experimental setups such as film stretching machine, which makes the system perfect to follow the microstructures evolution of materials during processing. The capability of the V-SAXS on in situ study is tested with a drying experiment of a free latex droplet, which confirms our initial design.

  17. Laser desorption mass spectrometry and small angle neutron scattering of heavy fossil materials

    SciTech Connect

    Hunt, J.E.; Winans, R.E.; Thiyagarajan, P.

    1997-09-01

    The determination of the structural building blocks and the molecular weight range of heavy hydrocarbon materials is of crucial importance in research on their reactivity and for their processing. The chemically and physically heterogenous nature of heavy hydrocarbon materials, such as coals, heavy petroleum fractions, and residues, dictates that their structure and reactivity patterns be complicated. The problem is further complicated by the fact that the molecular structure and molecular weight distribution of these materials is not dependent on a single molecule, but on a complex mixture of molecules which vary among coals and heavy petroleum samples. Laser Desorption mass spectrometry (LDMS) is emerging as a technique for molecular weight determination having found widespread use in biological polymer research, but is still a relatively new technique in the fossil fuel area. Small angle neutron scattering (SANS) provides information on the size and shape of heavy fossil materials. SANS offers the advantages of high penetration power even in thick cells at high temperatures and high contrast for hydrocarbon systems dispersed in deuterated solvents. LDMS coupled with time of flight has the advantages of high sensitivity and transmission and high mass range. We have used LDMS to examine various heavy fossil-derived materials including: long chain hydrocarbons, asphaltenes from petroleum vacuum resids, and coals. This paper describes the application of laser desorption and small angle neutron scattering techniques to the analysis of components in coals, petroleum resids and unsaturated polymers.

  18. A small-angle x-ray scattering system with a vertical layout.

    PubMed

    Wang, Zhen; Chen, Xiaowei; Meng, Lingpu; Cui, Kunpeng; Wu, Lihui; Li, Liangbin

    2014-12-01

    A small-angle x-ray scattering (SAXS) system with a vertical layout (V-SAXS) has been designed and constructed for in situ detection on nanostructures, which is well suitable for in situ study on self-assembly of nanoparticles at liquid interface and polymer processing. A steel-tower frame on a reinforced basement is built as the supporting skeleton for scattering beam path and detector platform, ensuring the system a high working stability and a high operating accuracy. A micro-focus x-ray source combining parabolic three-dimensional multi-layer mirror and scatteringless collimation system provides a highly parallel beam, which allows us to detect the very small angle range. With a sample-to-detector distance of 7 m, the largest measurable length scale is 420 nm in real space. With a large sample zone, it is possible to install different experimental setups such as film stretching machine, which makes the system perfect to follow the microstructures evolution of materials during processing. The capability of the V-SAXS on in situ study is tested with a drying experiment of a free latex droplet, which confirms our initial design.

  19. Small angle scattering methods to study porous materials under high uniaxial strain

    SciTech Connect

    Le Floch, Sylvie Balima, Félix; Pischedda, Vittoria; Legrand, Franck; San-Miguel, Alfonso

    2015-02-15

    We developed a high pressure cell for the in situ study of the porosity of solids under high uniaxial strain using neutron small angle scattering. The cell comprises a hydraulically actioned piston and a main body equipped with two single-crystal sapphire windows allowing for the neutron scattering of the sample. The sample cavity is designed to allow for a large volume variation as expected when compressing highly porous materials. We also implemented a loading protocol to adapt an existing diamond anvil cell for the study of porous materials by X-ray small angle scattering under high pressure. The two techniques are complementary as the radiation beam and the applied pressure are in one case perpendicular to each other (neutron cell) and in the other case parallel (X-ray cell). We will illustrate the use of these two techniques in the study of lamellar porous systems up to a maximum pressure of 0.1 GPa and 0.3 GPa for the neutron and X-ray cells, respectively. These devices allow obtaining information on the evolution of porosity with pressure in the pore dimension subdomain defined by the wave-numbers explored in the scattering process. The evolution with the applied load of such parameters as the fractal dimension of the pore-matrix interface or the apparent specific surface in expanded graphite and in expanded vermiculite is used to illustrate the use of the high pressure cells.

  20. Small-Angle Neutron Scattering for Structural Biology of Protein-RNA Complexes.

    PubMed

    Gabel, Frank

    2015-01-01

    This chapter deals with the applications of small-angle neutron scattering (SANS) for the structural study of protein-RNA complexes in solution. After a brief historical introduction, the basic theory and practical requirements (e.g., sample state) for SANS experiments will be treated. Next, model-free parameters, such as the molecular mass and the radius of gyration, which can be obtained without a priori structural information, will be introduced. A more detailed section on the specific properties of SANS (with respect to its sister technique, small-angle X-ray scattering), and their implications on possibilities and limits of model building and interpretation will be discussed with a focus on protein-RNA systems. A practical illustration of the information content of SANS data will be given by applying ab initio modeling to a tRNA-synthetase system of known high-resolution structure. Finally, two present state-of-the-art examples that combine SANS data with complementary structural biology techniques (NMR and crystallography) will be presented and possible future developments and applications will be discussed.

  1. Wavelength-independent constant period spin-echo modulated small angle neutron scattering.

    PubMed

    Sales, Morten; Plomp, Jeroen; Habicht, Klaus; Tremsin, Anton; Bouwman, Wim; Strobl, Markus

    2016-06-01

    Spin-Echo Modulated Small Angle Neutron Scattering (SEMSANS) in Time-of-Flight (ToF) mode has been shown to be a promising technique for measuring (very) small angle neutron scattering (SANS) signals and performing quantitative Dark-Field Imaging (DFI), i.e., SANS with 2D spatial resolution. However, the wavelength dependence of the modulation period in the ToF spin-echo mode has so far limited the useful modulation periods to those resolvable with the limited spatial resolution of the detectors available. Here we present our results of an approach to keep the period of the induced modulation constant for the wavelengths utilised in ToF. This is achieved by ramping the magnetic fields in the coils responsible for creating the spatially modulated beam in synchronisation with the neutron pulse, thus keeping the modulation period constant for all wavelengths. Such a setup enables the decoupling of the spatial detector resolution from the resolution of the modulation period by the use of slits or gratings in analogy to the approach in grating-based neutron DFI. PMID:27370470

  2. A small-angle x-ray scattering system with a vertical layout

    SciTech Connect

    Wang, Zhen; Chen, Xiaowei; Meng, Lingpu; Cui, Kunpeng; Wu, Lihui; Li, Liangbin

    2014-12-15

    A small-angle x-ray scattering (SAXS) system with a vertical layout (V-SAXS) has been designed and constructed for in situ detection on nanostructures, which is well suitable for in situ study on self-assembly of nanoparticles at liquid interface and polymer processing. A steel-tower frame on a reinforced basement is built as the supporting skeleton for scattering beam path and detector platform, ensuring the system a high working stability and a high operating accuracy. A micro-focus x-ray source combining parabolic three-dimensional multi-layer mirror and scatteringless collimation system provides a highly parallel beam, which allows us to detect the very small angle range. With a sample-to-detector distance of 7 m, the largest measurable length scale is 420 nm in real space. With a large sample zone, it is possible to install different experimental setups such as film stretching machine, which makes the system perfect to follow the microstructures evolution of materials during processing. The capability of the V-SAXS on in situ study is tested with a drying experiment of a free latex droplet, which confirms our initial design.

  3. Morphological characterization of carbon-nanofiber-reinforced epoxy nanocomposites using ultra-small angle scattering

    SciTech Connect

    Justice, R.S.; Anderson, D.P.; Brown, J.M.; Arlen, M.J.; Colleary, A.J.; Lafdi, K.; Schaefer, D.W.

    2010-07-01

    Studies of the properties of nanocomposites reinforced with vapor-grown carbon nanofibers (VGCFs) can be found throughout the literature. Electrical, mechanical, viscoelastic, and rheological properties are just a few of the characteristics that have been well discussed. Although these properties depend on morphology, morphological characterization is rare. Due to its 2-dimensional nature, microscopy is of limited value when analyzing network morphologies. This work will show how the characterization of the three-dimensional geometry and network formation of VGCFs can be determined using ultra-small angle scattering techniques. Ultra-small angle x-ray and neutron scattering (USAXS and USANS) were used to characterize the morphology of carbon nanofibers suspended in epoxy. Using a simplified tube model, we estimate the dimensions of suspended fibers. The assumption of tubular fibers accounts for the increased surface area observed with USAXS that is not accounted for using a solid rod model. Furthermore, USANS was used to search for a structural signature associated with the electrical percolation threshold. USANS extends to longer dimensional scales than USAXS, which measures a smaller range of momentum transfer. To determine the electrical percolation threshold, AC impedance spectroscopy was employed to verify that an electrically conductive, percolated network forms at VGCNF loadings of 0.8% < CNF wt% < 1.2%. These values correlate with the USANS data, where a morphological transition is seen at {approx}1.2% loading.

  4. Wavelength-independent constant period spin-echo modulated small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Sales, Morten; Plomp, Jeroen; Habicht, Klaus; Tremsin, Anton; Bouwman, Wim; Strobl, Markus

    2016-06-01

    Spin-Echo Modulated Small Angle Neutron Scattering (SEMSANS) in Time-of-Flight (ToF) mode has been shown to be a promising technique for measuring (very) small angle neutron scattering (SANS) signals and performing quantitative Dark-Field Imaging (DFI), i.e., SANS with 2D spatial resolution. However, the wavelength dependence of the modulation period in the ToF spin-echo mode has so far limited the useful modulation periods to those resolvable with the limited spatial resolution of the detectors available. Here we present our results of an approach to keep the period of the induced modulation constant for the wavelengths utilised in ToF. This is achieved by ramping the magnetic fields in the coils responsible for creating the spatially modulated beam in synchronisation with the neutron pulse, thus keeping the modulation period constant for all wavelengths. Such a setup enables the decoupling of the spatial detector resolution from the resolution of the modulation period by the use of slits or gratings in analogy to the approach in grating-based neutron DFI.

  5. Small angle scattering methods to study porous materials under high uniaxial strain.

    PubMed

    Le Floch, Sylvie; Balima, Félix; Pischedda, Vittoria; Legrand, Franck; San-Miguel, Alfonso

    2015-02-01

    We developed a high pressure cell for the in situ study of the porosity of solids under high uniaxial strain using neutron small angle scattering. The cell comprises a hydraulically actioned piston and a main body equipped with two single-crystal sapphire windows allowing for the neutron scattering of the sample. The sample cavity is designed to allow for a large volume variation as expected when compressing highly porous materials. We also implemented a loading protocol to adapt an existing diamond anvil cell for the study of porous materials by X-ray small angle scattering under high pressure. The two techniques are complementary as the radiation beam and the applied pressure are in one case perpendicular to each other (neutron cell) and in the other case parallel (X-ray cell). We will illustrate the use of these two techniques in the study of lamellar porous systems up to a maximum pressure of 0.1 GPa and 0.3 GPa for the neutron and X-ray cells, respectively. These devices allow obtaining information on the evolution of porosity with pressure in the pore dimension subdomain defined by the wave-numbers explored in the scattering process. The evolution with the applied load of such parameters as the fractal dimension of the pore-matrix interface or the apparent specific surface in expanded graphite and in expanded vermiculite is used to illustrate the use of the high pressure cells.

  6. Structural analysis of Fe–Mn–O nanoparticles in glass ceramics by small angle scattering

    SciTech Connect

    Raghuwanshi, Vikram Singh; Harizanova, Ruzha; Tatchev, Dragomir; Hoell, Armin; Rüssel, Christian

    2015-02-15

    Magnetic nanocrystals containing Fe and Mn were obtained by annealing of silicate glasses with the composition 13.6Na{sub 2}O–62.9SiO{sub 2}–8.5MnO–15.0Fe{sub 2}O{sub 3−x} (mol%) at 580 °C for different periods of time. Here, we present Small Angle Neutron Scattering using Polarized neutrons (SANSPOL) and Anomalous Small Angle X-ray Scattering (ASAXS) investigation on these glass ceramic samples. Analysis of scattering data from both methods reveals the formation of spherical core–shell type of nanoparticles with mean sizes between 10 nm and 100 nm. ASAXS investigation shows the particles have higher concentration of iron atoms and the shell like region surrounding the particles is enriched in SiO{sub 2}. SANSPOL investigation shows the particles are found to be magnetic and are surrounded by a non-magnetic shell-like region. - Graphical abstract: Magnetic spherical core–shell nanoparticles in glass ceramics: SANSPOL and ASAXS investigations. - Highlights: • Formation and growth mechanisms of magnetic nanoparticles in silicate glass. • SANSPOL and ASAXS methods employed to evaluate quantitative information. • Analyses showed formation of nanoparticles with spherical core–shell structures. • Core of the particle is magnetic and surrounded by weak magnetic shell like region.

  7. Irradiation Induced Defect Characterization in Reactor Pressure Vessel Steel by Small Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Han, Yougn-Soo; Shin, Eun-Joo; Lee, Chang-Hee; Park, Duck-Gun

    The degradation of the mechanical properties of the RPV (Reactor Pressure Vessel) steel during an irradiation in a nuclear power plant is closely related to the irradiation induced defects. The size of these defects is known to be a few nanometer, and the small angle neutron scattering technique is regarded as the best non destructive technique to characterize the nano sized inhomogeneities in bulk samples. The investigated the RPV steel has been used in YeongKwang nuclear power plant at Korea and the Cu content of the RPV steel is 0.06 wt%. The RPV steel was irradiated in the HANARO reactor at KAERI. The small angle neutron scattering experiments were performed by the SANS instrument in the HANARO reactor. The nano sized irradiation induced defects were quantitatively analyzed by SANS and the type of the irradiation induced defects was discussed in detail. The relation between irradiation induced defects and the yield strength was investigated. The characteristics of irradiation induced defects in low Cu containing RPV steel were discussed.

  8. EDITORIAL Proceedings of the XIV International Conference on Small-Angle Scattering, SAS-2009

    NASA Astrophysics Data System (ADS)

    Ungar, Goran; Heenan, Richard

    2010-10-01

    There are 52 papers in these Proceedings. The papers are divided into 10 thematic sections and a section for invited papers and reviews. The sections and the respective section editors are given below. Section Editor(s) Invited Papers and Reviews Peter Griffiths, Wim Bras, Rudolf Winter Beamlines and Instrumentation Elliot Gilbert, Wim Bras, Nigel Rhodes Theory, Data processing and Modelling Jan Skov Pedersen, Carlo Knupp Biological Systems and Membranes Richard Heenan, Cameron Neylon Ceramics, Glasses and Porous Materials Rudolf Winter Colloids and Solutions Peter Griffiths Hierarchical Structures and Fibres Steve Eichhorn, Karen Edler Metallic and Magnetic Systems Armin Hoell Polymers Patrick Fairclough Time resolved Diffraction, Kinetic and Dynamical Studies João Cabral, Christoph Rau We are grateful to all section editors and the many anonymous referees for their invaluable effort which made the publication of the Proceedings possible. The refereeing process was strict and thorough, some papers were rejected and most were improved. The resulting compendium gives a good overview of recent developments in small-angle X-ray and neutron scattering theory, application, methods of analysis and instrumentation. Thus it should be a useful source of reference for a number of years to come. The papers are a good reflection of the material presented at the meeting. Because of the general high quality of the articles, it was difficult to decide which to highlight and be fair to all contributors. The following in particular have caught the attention of the editors. Highlighted papers A statistical survey of publications reporting the application of SAXS and SANS by Aldo Craievich (paper 012003) is recommended reading for anyone needing convincing about the vibrancy of this scientific field and the ever expanding use of these techniques. Two aspects of coherent X-ray scattering, made available by the advent of the 3rd generation synchrotron sources, are discussed in the

  9. Pinhole-type two-dimensional ultra-small-angle X-ray scattering on the micrometer scale.

    PubMed

    Kishimoto, Hiroyuki; Shinohara, Yuya; Suzuki, Yoshio; Takeuchi, Akihisa; Yagi, Naoto; Amemiya, Yoshiyuki

    2014-01-01

    A pinhole-type two-dimensional ultra-small-angle X-ray scattering set-up at a so-called medium-length beamline at SPring-8 is reported. A long sample-to-detector distance, 160.5 m, can be used at this beamline and a small-angle resolution of 0.25 µm(-1) was thereby achieved at an X-ray energy of 8 keV. PMID:24365910

  10. Pinhole-type two-dimensional ultra-small-angle X-ray scattering on the micrometer scale

    PubMed Central

    Kishimoto, Hiroyuki; Shinohara, Yuya; Suzuki, Yoshio; Takeuchi, Akihisa; Yagi, Naoto; Amemiya, Yoshiyuki

    2014-01-01

    A pinhole-type two-dimensional ultra-small-angle X-ray scattering set-up at a so-called medium-length beamline at SPring-8 is reported. A long sample-to-detector distance, 160.5 m, can be used at this beamline and a small-angle resolution of 0.25 µm−1 was thereby achieved at an X-ray energy of 8 keV. PMID:24365910

  11. Probing the conformation of FhaC with small-angle neutron scattering and molecular modeling.

    PubMed

    Gabel, Frank; Lensink, Marc F; Clantin, Bernard; Jacob-Dubuisson, Françoise; Villeret, Vincent; Ebel, Christine

    2014-07-01

    Probing the solution structure of membrane proteins represents a formidable challenge, particularly when using small-angle scattering. Detergent molecules often present residual scattering contributions even at their match point in small-angle neutron scattering (SANS) measurements. Here, we studied the conformation of FhaC, the outer-membrane, β-barrel transporter of the Bordetella pertussis filamentous hemagglutinin adhesin. SANS measurements were performed on homogeneous solutions of FhaC solubilized in n-octyl-d17-βD-glucoside and on a variant devoid of the α helix H1, which critically obstructs the FhaC pore, in two solvent conditions corresponding to the match points of the protein and the detergent, respectively. Protein-bound detergent amounted to 142 ± 10 mol/mol as determined by analytical ultracentrifugation. By using molecular modeling and starting from three distinct conformations of FhaC and its variant embedded in lipid bilayers, we generated ensembles of protein-detergent arrangement models with 120-160 detergent molecules. The scattered curves were back-calculated for each model and compared with experimental data. Good fits were obtained for relatively compact, connected detergent belts, which occasionally displayed small detergent-free patches on the outer surface of the β barrel. The combination of SANS and modeling clearly enabled us to infer the solution structure of FhaC, with H1 inside the pore as in the crystal structure. We believe that our strategy of combining explicit atomic detergent modeling with SANS measurements has significant potential for structural studies of other detergent-solubilized membrane proteins. PMID:24988353

  12. Probing the Conformation of FhaC with Small-Angle Neutron Scattering and Molecular Modeling

    PubMed Central

    Gabel, Frank; Lensink, Marc F.; Clantin, Bernard; Jacob-Dubuisson, Françoise; Villeret, Vincent; Ebel, Christine

    2014-01-01

    Probing the solution structure of membrane proteins represents a formidable challenge, particularly when using small-angle scattering. Detergent molecules often present residual scattering contributions even at their match point in small-angle neutron scattering (SANS) measurements. Here, we studied the conformation of FhaC, the outer-membrane, β-barrel transporter of the Bordetella pertussis filamentous hemagglutinin adhesin. SANS measurements were performed on homogeneous solutions of FhaC solubilized in n-octyl-d17-βD-glucoside and on a variant devoid of the α helix H1, which critically obstructs the FhaC pore, in two solvent conditions corresponding to the match points of the protein and the detergent, respectively. Protein-bound detergent amounted to 142 ± 10 mol/mol as determined by analytical ultracentrifugation. By using molecular modeling and starting from three distinct conformations of FhaC and its variant embedded in lipid bilayers, we generated ensembles of protein-detergent arrangement models with 120–160 detergent molecules. The scattered curves were back-calculated for each model and compared with experimental data. Good fits were obtained for relatively compact, connected detergent belts, which occasionally displayed small detergent-free patches on the outer surface of the β barrel. The combination of SANS and modeling clearly enabled us to infer the solution structure of FhaC, with H1 inside the pore as in the crystal structure. We believe that our strategy of combining explicit atomic detergent modeling with SANS measurements has significant potential for structural studies of other detergent-solubilized membrane proteins. PMID:24988353

  13. Virtual Compton scattering and neutral pion electroproduction in the resonance region up to the deep inelastic region at backward angles

    NASA Astrophysics Data System (ADS)

    Laveissière, G.; Degrande, N.; Jaminion, S.; Jutier, C.; Todor, L.; Salvo, R. Di; Hoorebeke, L. Van; Alexa, L. C.; Anderson, B. D.; Aniol, K. A.; Arundell, K.; Audit, G.; Auerbach, L.; Baker, F. T.; Baylac, M.; Berthot, J.; Bertin, P. Y.; Bertozzi, W.; Bimbot, L.; Boeglin, W. U.; Brash, E. J.; Breton, V.; Breuer, H.; Burtin, E.; Calarco, J. R.; Cardman, L. S.; Cavata, C.; Chang, C.-C.; Chen, J.-P.; Chudakov, E.; Cisbani, E.; Dale, D. S.; de Jager, C. W.; de Leo, R.; Deur, A.; D'Hose, N.; Dodge, G. E.; Domingo, J. J.; Elouadrhiri, L.; Epstein, M. B.; Ewell, L. A.; Finn, J. M.; Fissum, K. G.; Fonvieille, H.; Fournier, G.; Frois, B.; Frullani, S.; Furget, C.; Gao, H.; Gao, J.; Garibaldi, F.; Gasparian, A.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Gorbenko, V.; Grenier, P.; Guichon, P. A. M.; Hansen, J. O.; Holmes, R.; Holtrop, M.; Howell, C.; Huber, G. M.; Hyde, C. E.; Incerti, S.; Iodice, M.; Jardillier, J.; Jones, M. K.; Kahl, W.; Kamalov, S.; Kato, S.; Katramatou, A. T.; Kelly, J. J.; Kerhoas, S.; Ketikyan, A.; Khayat, M.; Kino, K.; Kox, S.; Kramer, L. H.; Kumar, K. S.; Kumbartzki, G.; Kuss, M.; Leone, A.; Lerose, J. J.; Liang, M.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Lourie, R. W.; Madey, R.; Maeda, K.; Malov, S.; Manley, D. M.; Marchand, C.; Marchand, D.; Margaziotis, D. J.; Markowitz, P.; Marroncle, J.; Martino, J.; McCormick, K.; McIntyre, J.; Mehrabyan, S.; Merchez, F.; Meziani, Z. E.; Michaels, R.; Miller, G. W.; Mougey, J. Y.; Nanda, S. K.; Neyret, D.; Offermann, E. A. J. M.; Papandreou, Z.; Perdrisat, C. F.; Perrino, R.; Petratos, G. G.; Platchkov, S.; Pomatsalyuk, R.; Prout, D. L.; Punjabi, V. A.; Pussieux, T.; Quémenér, G.; Ransome, R. D.; Ravel, O.; Real, J. S.; Renard, F.; Roblin, Y.; Rowntree, D.; Rutledge, G.; Rutt, P. M.; Saha, A.; Saito, T.; Sarty, A. J.; Serdarevic, A.; Smith, T.; Smirnov, G.; Soldi, K.; Sorokin, P.; Souder, P. A.; Suleiman, R.; Templon, J. A.; Terasawa, T.; Tiator, L.; Tieulent, R.; Tomasi-Gustaffson, E.; Tsubota, H.; Ueno, H.; Ulmer, P. E.; Urciuoli, G. M.; de Vyver, R. Van; der Meer, R. L. J. Van; Vernin, P.; Vlahovic, B.; Voskanyan, H.; Voutier, E.; Watson, J. W.; Weinstein, L. B.; Wijesooriya, K.; Wilson, R.; Wojtsekhowski, B. B.; Zainea, D. G.; Zhang, W.-M.; Zhao, J.; Zhou, Z.-L.

    2009-01-01

    We have made the first measurements of the virtual Compton scattering (VCS) process via the H(e, e'p)γ exclusive reaction in the nucleon resonance region, at backward angles. Results are presented for the W-dependence at fixed Q2=1GeV2 and for the Q2 dependence at fixed W near 1.5 GeV. The VCS data show resonant structures in the first and second resonance regions. The observed Q2 dependence is smooth. The measured ratio of H(e, e'p)γ to H(e, e'p)π0 cross sections emphasizes the different sensitivity of these two reactions to the various nucleon resonances. Finally, when compared to real Compton scattering (RCS) at high energy and large angles, our VCS data at the highest W (1.8-1.9 GeV) show a striking Q2 independence, which may suggest a transition to a perturbative scattering mechanism at the quark level.

  14. Virtual Compton scattering and neutral pion electroproduction in the resonance region up to the deep inelastic region at backward angles

    SciTech Connect

    Laveissiere, Geraud; Degrande, Natalie; Jaminion, Stephanie; Jutier, Christophe; Todor, Luminita; Di Salvo, Rachele; Van Hoorebeke, L.; Alexa, L.C.; Anderson, Brian; Aniol, Konrad; Arundell, Kathleen; Audit, Gerard; Auerbach, Leonard; Baker, F.; Baylac, Maud; Berthot, J.; Bertin, Pierre; Bertozzi, William; Bimbot, Louis; Boeglin, Werner; Brash, Edward; Breton, Vincent; Breuer, Herbert; Burtin, Etienne; Calarco, John; Cardman, Lawrence; Cavata, Christian; Chang, C.; Chang, C.C.; Chang, C.; Chang, C.C.; Chang, C.; Chang, C.C.; Chang, C.; Chang, C.C.; Chen, Jian-Ping; Chudakov, Eugene; Cisbani, Evaristo; Dale, Daniel; De Jager, Cornelis; De Leo, Raffaele; Deur, Alexandre; D'Hose, Nicole; Dodge, Gail; Domingo, John; Elouadrhiri, Latifa; Epstein, Martin; Ewell, Lars; Finn, John; Fissum, Kevin; Fonvieille, Helene; Fournier, Guy; Frois, Bernard; Frullani, Salvatore; Furget, Christophe; Gao, Haiyan; Gao, Juncai; Garibaldi, Franco; Gasparian, Ashot; Gilad, Shalev; Gilman, Ronald; Glamazdin, Oleksandr; Glashausser, Charles; Gomez, Javier; Gorbenko, Viktor; Grenier, Philippe; Guichon, Pierre; Hansen, Jens-Ole; Holmes, Richard; Holtrop, Maurik; Howell, Calvin; Huber, Garth; Hyde, Charles; Incerti, Sebastien; Iodice, Mauro; Jardillier, Johann; Jones, Mark; Kahl, William; Kamalov, Sabit; Kato, Seigo; Katramatou, A.T.; Kelly, James; Kerhoas, Sophie; Ketikyan, Armen; Khayat, Mohammad; Kino, Kouichi; Kox, Serge; Kramer, Laird; Kumar, Krishna; Kumbartzki, Gerfried; Kuss, Michael; Leone, Antonio; LeRose, John; Liang, Meihua; Lindgren, Richard; Liyanage, Nilanga; Lolos, George; Lourie, Robert; Madey, Richard; Maeda, Kazushige; Malov, Sergey; Manley, D.; Marchand, Claude; Marchand, Dominique; Margaziotis, Demetrius; Markowitz, Pete; Marroncle, Jacques; Martino, Jacques; McCormick, Kathy; McIntyre, Justin; Mehrabyan, Surik; Merchez, Fernand; Meziani, Zein-Eddine; Michaels, Robert; Miller, Gerald; Mougey, Jean; Nanda, Sirish; Neyret, Damien; Offermann, Edmond; Papandreou, Zisis; Perdrisat, Charles; Perrino, R.; Petratos, Gerassimos; Platchkov, Stephane; Pomatsalyuk, Roman; Prout, David; Punjabi, Vina; Pussieux, Thierry; Quemener, Gilles; Ransome, Ronald; Ravel, Oliver; Real, Jean-Sebastien; Renard, F.; Roblin, Yves; Rowntree, David; Rutledge, Gary; Rutt, Paul; Saha, Arunava; Saito, Teijiro; Sarty, Adam; Serdarevic, A.; Smith, T.; Smirnov, G.; Soldi, K.; Sorokin, Pavel; Souder, Paul; Suleiman, Riad; Templon, Jeffrey; Terasawa, Tatsuo; Tiator, Lothar; Tieulent, Raphael; Tomasi-Gustaffson, E.; Tsubota, Hiroaki; Ueno, Hiroaki; Ulmer, Paul; Urciuoli, Guido; Van De Vyver, R.; van der Meer, Rob; Vernin, Pascal; Vlahovic, B.; Voskanyan, Hakob; Voutier, Eric; Watson, J.W.; Weinstein, Lawrence; Wijesooriya, Krishni; Wilson, R.; Wojtsekhowski, Bogdan; Zainea, Dan; Zhang, Wei-Ming; Zhao, Jie; Zhou, Z.-L.

    2009-01-01

    We have made the first measurements of the virtual Compton scattering (VCS) process via the H(e,e'p)? exclusive reaction in the nucleon resonance region, at backward angles. Results are presented for the W-dependence at fixed Q2=1 GeV2, and for the Q2-dependence at fixed W near 1.5 GeV. The VCS data show resonant structures in the first and second resonance regions. The observed Q2-dependence is smooth. The measured ratio of H(e,e'p)? to H(e,e'p)?0 cross sections emphasizes the different sensitivity of these two reactions to the various nucleon resonances. Finally, when compared to Real Compton Scattering (RCS) at high energy and large angles, our VCS data at the highest W (1.8-1.9 GeV) show a striking Q2-independence, which may suggest a transition to a perturbative scattering mechanism at the quark level.

  15. Virtual Compton scattering and neutral pion electroproduction in the resonance region up to the deep inelastic region at backward angles

    SciTech Connect

    Laveissiere, G.; Jaminion, S.; Salvo, R. Di; Berthot, J.; Bertin, P. Y.; Breton, V.; Fonvieille, H.; Grenier, P.; Ravel, O.; Roblin, Y.; Smirnov, G.; Jutier, C.; Hyde, C. E.; Todor, L.; Dodge, G. E.; McCormick, K.; Ulmer, P. E.

    2009-01-15

    We have made the first measurements of the virtual Compton scattering (VCS) process via the H(e, e{sup '}p){gamma} exclusive reaction in the nucleon resonance region, at backward angles. Results are presented for the W-dependence at fixed Q{sup 2}=1 GeV{sup 2} and for the Q{sup 2} dependence at fixed W near 1.5 GeV. The VCS data show resonant structures in the first and second resonance regions. The observed Q{sup 2} dependence is smooth. The measured ratio of H(e, e{sup '}p){gamma} to H(e, e{sup '}p){pi}{sup 0} cross sections emphasizes the different sensitivity of these two reactions to the various nucleon resonances. Finally, when compared to real Compton scattering (RCS) at high energy and large angles, our VCS data at the highest W (1.8-1.9 GeV) show a striking Q{sup 2} independence, which may suggest a transition to a perturbative scattering mechanism at the quark level.

  16. NanoARPES of twisted bilayer graphene on SiC: absence of velocity renormalization for small angles.

    PubMed

    Razado-Colambo, I; Avila, J; Nys, J-P; Chen, C; Wallart, X; Asensio, M-C; Vignaud, D

    2016-01-01

    The structural and electronic properties of twisted bilayer graphene (TBG) on SiC(000) grown by Si flux-assisted molecular beam epitaxy were investigated using scanning tunneling microscopy (STM) and angle-resolved photoelectron spectroscopy with nanometric spatial resolution. STM images revealed a wide distribution of twist angles between the two graphene layers. The electronic structure recorded in single TBG grains showed two closely-spaced Dirac π bands associated to the two stacked layers with respective twist angles in the range 1-3°. The renormalization of velocity predicted in previous theoretical calculations for small twist angles was not observed. PMID:27264791

  17. NanoARPES of twisted bilayer graphene on SiC: absence of velocity renormalization for small angles

    PubMed Central

    Razado-Colambo, I.; Avila, J.; Nys, J.-P.; Chen, C.; Wallart, X.; Asensio, M.-C.; Vignaud, D.

    2016-01-01

    The structural and electronic properties of twisted bilayer graphene (TBG) on SiC(000) grown by Si flux-assisted molecular beam epitaxy were investigated using scanning tunneling microscopy (STM) and angle-resolved photoelectron spectroscopy with nanometric spatial resolution. STM images revealed a wide distribution of twist angles between the two graphene layers. The electronic structure recorded in single TBG grains showed two closely-spaced Dirac π bands associated to the two stacked layers with respective twist angles in the range 1–3°. The renormalization of velocity predicted in previous theoretical calculations for small twist angles was not observed. PMID:27264791

  18. Magnetization processes in nanostructured metals and small-angle neutron scattering

    SciTech Connect

    Loeffler, J.F.; Braun, H.B.; Wagner, W.; Kostorz, G.; Wiedenmann, A.

    2005-04-01

    The magnetization process in nanostructured (n-) Fe and Co was investigated via small-angle neutron scattering (SANS). In a zero field, the magnetization exhibits correlations extending over several grains. In intermediate applied magnetic fields around 1 kOe, n-Fe and n-Co samples with small grain sizes exhibit an anisotropic scattering profile with an unusual intensity enhancement for scattering vectors parallel to the field direction. Comparing the experimental data with a modeled granular microstructure containing magnetic domains of arbitrary size and orientation, we conclude that magnetic domains extending over several grains are tilted considerably out of the external field direction in intermediate fields. Since the domain size does not change significantly with the magnitude of the external field, we conclude that the magnetization process does not proceed via domain-wall motion. Together with theoretical arguments showing the existence of marginally stable domains within the random-anisotropy model, our SANS data suggests that the magnetization process proceeds by simultaneous reversal of a few adjacent domains, presumably in the form of small avalanches. This resembles the magnetization process predicted for random-field Ising magnets. Our theoretical analysis of SANS data is general and applies to other systems consisting of magnetic nanoclusters embedded in a nonmagnetic matrix.

  19. Monomeric Amyloid Beta Peptide in Hexafluoroisopropanol Detected by Small Angle Neutron Scattering

    PubMed Central

    Zhang-Haagen, Bo; Biehl, Ralf; Nagel-Steger, Luitgard; Radulescu, Aurel; Richter, Dieter; Willbold, Dieter

    2016-01-01

    Small proteins like amyloid beta (Aβ) monomers are related to neurodegenerative disorders by aggregation to insoluble fibrils. Small angle neutron scattering (SANS) is a nondestructive method to observe the aggregation process in solution. We show that SANS is able to resolve monomers of small molecular weight like Aβ for aggregation studies. We examine Aβ monomers after prolonged storing in d-hexafluoroisopropanol (dHFIP) by using SANS and dynamic light scattering (DLS). We determined the radius of gyration from SANS as 1.0±0.1 nm for Aβ1–40 and 1.6±0.1 nm for Aβ1–42 in agreement with 3D NMR structures in similar solvents suggesting a solvent surface layer with 5% increased density. After initial dissolution in dHFIP Aβ aggregates sediment with a major component of pure monomers showing a hydrodynamic radius of 1.8±0.3 nm for Aβ1–40 and 3.2±0.4 nm for Aβ1–42 including a surface layer of dHFIP solvent molecules. PMID:26919121

  20. MISLIFT- AERODYNAMIC LIFT ON WING-BODY COMBINATIONS AT SMALL ANGLES OF ATTACK IN SUPERSONIC FLOW

    NASA Technical Reports Server (NTRS)

    Sawyer, W. C.

    1994-01-01

    Two separate and distinct theories are incorporated in this computer program to estimate the lift-induced pressures existent on a wing-body combination. These are (1) the second-order shock-expansion theory, which is used to obtain the lifting pressures on the body alone at small angles of attack, and (2) the linear-theory integral equations, which is used to evaluate the lifting pressures induced by the wing. These equations relate the local surface slope at a point on the lifting surface to the pressure differential at the point and the influence of the pressures upstream of the point. The numerical solution of these equations is effected by treating the wing-planform as a composite of elemental rectangles and applying summation techniques to satisfy the necessary integral relations. Most of the input required by this program is involved with the description of the missile planform geometry. The output consists of the computed value of the lifting pressure slope (the differential pressure coefficient per degree angle of attack) for each of the elements in the planform array. A force and moment summary is presented for the configuration under consideration.

  1. Kinetic small angle neutron scattering of the skyrmion lattice in MnSi

    NASA Astrophysics Data System (ADS)

    Mühlbauer, S.; Kindervater, J.; Adams, T.; Bauer, A.; Keiderling, U.; Pfleiderer, C.

    2016-07-01

    We report a kinetic small angle neutron scattering (SANS) study of the skyrmion lattice (SL) in MnSi. Induced by an oscillatory tilting of the magnetic field direction, the elasticity and relaxation of the SL along the magnetic field direction have been measured with microsecond resolution. For the excitation frequency of 325 {{Hz}} the SL begins to track the tilting motion of the applied magnetic field under tilting angles exceeding {α }{{c}}≳ 0.4^\\circ . Empirically the associated angular velocity of the tilting connects quantitatively with the critical charge carrier velocity of ∼ 0.1 {{mm}} {{{s}}}-1 under current driven spin transfer torques, for which the SL unpins. In addition, a pronounced temperature dependence of the skyrmion motion is attributed to the variation of the skyrmion stiffness. Taken together our study highlights the power of kinetic SANS as a new experimental tool to explore, in a rather general manner, the elasticity and impurity pinning of magnetic textures across a wide parameter space without parasitic signal interferences due to ohmic heating or Oersted magnetic fields.

  2. Glassy carbon as an absolute intensity calibration standard for small-angle scattering.

    SciTech Connect

    Zhang, F.; Ilavsky, J.; Long, G.; Allen, A.; Quintana, J.; Jemian, P.; NIST

    2010-05-01

    Absolute calibration of small-angle scattering (SAS) intensity data (measured in terms of the differential scattering cross section per unit sample volume per unit solid angle) is essential for many important aspects of quantitative SAS analysis, such as obtaining the number density, volume fraction, and specific surface area of the scatterers. It also enables scattering data from different instruments (light, X-ray, or neutron scattering) to be combined, and it can even be useful to detect the existence of artifacts in the experimental data. Different primary or secondary calibration methods are available. In the latter case, absolute intensity calibration requires a stable artifact with the necessary scattering profile. Glassy carbon has sometimes been selected as this intensity calibration standard. Here we review the spatial homogeneity and temporal stability of one type of commercially available glassy carbon that is being used as an intensity calibration standard at a number of SAS facilities. We demonstrate that glassy carbon is sufficiently homogeneous and stable during routine use to be relied upon as a suitable standard for absolute intensity calibration of SAS data.

  3. On the small angle twist sub-grain boundaries in Ti3AlC2

    NASA Astrophysics Data System (ADS)

    Zhang, Hui; Zhang, Chao; Hu, Tao; Zhan, Xun; Wang, Xiaohui; Zhou, Yanchun

    2016-04-01

    Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti3AlC2 compressed at 1200 °C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P63/mmc) layers, with breaking of the weakly bonded Al–Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5° for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations.

  4. On the small angle twist sub-grain boundaries in Ti3AlC2

    PubMed Central

    Zhang, Hui; Zhang, Chao; Hu, Tao; Zhan, Xun; Wang, Xiaohui; Zhou, Yanchun

    2016-01-01

    Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti3AlC2 compressed at 1200 °C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P63/mmc) layers, with breaking of the weakly bonded Al–Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5° for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations. PMID:27034075

  5. Small-angle x-ray scattering studies of the manganese stabilizing subunit in photosystem II.

    SciTech Connect

    Svensson, B.; Tiede, D. M.; Barry, B. A.; Univ. of Minnesota

    2002-08-29

    Small-angle X-ray scattering studies (SAXS) were used to determine the size, shape, and oligomeric composition of the manganese stabilizing protein (MSP) of photosystem II. This extrinsic protein subunit plays an important role in photosynthetic oxygen evolution. As its name implies, MSP stabilizes the tetranuclear Mn cluster of the water oxidation complex. Removal of MSP lowers activity and decreases the stability of active-site manganese. Reconstitution of MSP reverses these effects. In this study, MSP was extracted from spinach PSII membranes using CaCl{sub 2} or urea. Through the use of MALDI-TOF mass spectrometry, the molecular weight of MSP was determined to be 26.53 kDa. X-ray scattering results show that both samples display a monodisperse scattering pattern; this pattern is consistent with a homogeneous protein solution. The CaCl{sub 2} extracted and urea extracted MSP samples have radii of gyration of 25.9 {+-} 0.4 and 27.0 {+-} 0.01 {angstrom}, respectively. MSP is shown to be monomeric in solution. This was determined using a cytochrome c standard and the scattering intensity, extrapolated to zero scattering angle, which is proportional to the molecular weight. This SAXS study suggests that, in solution, MSP is a monomeric, elongated prolate ellipsoid with dimensions, 112 x 23 x 23 {angstrom}{sup 3} and an axial ratio of 4.8.

  6. Did the Kozai Resonance Help Form Pluto's Small Moons?

    NASA Astrophysics Data System (ADS)

    Cuk, Matija; (Luke) Dones, Henry C.; Nesvorny, David; Walsh, Kevin J.

    2016-05-01

    The origin of the small moons of Pluto is currently poorly understood. They most likely originated from debris ejected from Pluto and Charon during their formation in the giant impact. However, the moons' large separation from Pluto and massive past tidal evolution of Charon make it very hard to emplace collisional fragments on circular orbits in the 40-60 Pluto radii zone where the four small moons are found. Here we propose that the Pluto system has a parallel in the triple Trans-Neptunian Object (TNO) 1999 TC36. Both systems have large obliquities, and have additional components outside the inner binary that probably formed in a giant impact and has likely gone through a rapid tidal evolution immediately following formation. Our hypothesis is that loosely bound ejecta from giant impacts can experience strong perturbations from the Sun (the ``Kozai resonance") as long as major axes of their elongated orbits are perpendicular to the binary's heliocentric orbit. This process could decouple the debris from the inner boundary long enough for the inner binary to evolve tidally and prevent further Kozai oscillations through its quadrupole moment. If the debris is dominated by one large fragment, a triple can form (as in the case of 1999 TC36), while a large population of fragments would experience collisions and make a disk surrounding the inner binary (as in the case of Pluto). At the meeting we will present numerical simulations of this process using numerical integrator COMPLEX which includes both tides and solar perturbations, and can integrate dynamics of satellites on crossing orbits.

  7. Convex and concave successions of power-law decays in small-angle scattering

    NASA Astrophysics Data System (ADS)

    Anitas, E. M.

    2016-08-01

    The small-angle scattering (SAS) structure factor from a new model of a 3D deterministic fractal in which the relative positions and the number of structural units vary with fractal iteration number is calculated. It is shown that, depending on the relative positions of scattering units inside the fractal, we can obtain various types of power-law successions, such as: convex/concave - when the absolute value of the scattering exponent of the first power-law decay is higher/smaller than that of the subsequent power- law decay, or any combination of them (i.e. convex-concave or concave-convex). The obtained results can explain experimental SAS (neutron or X-rays) data which are characterized by a succession of power-law decays of arbitrary length.

  8. Small-Angle X-Ray Scattering From RNA, Proteins, And Protein Complexes

    SciTech Connect

    Lipfert, Jan; Doniach, Sebastian; /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept. /SLAC, SSRL

    2007-09-18

    Small-angle X-ray scattering (SAXS) is increasingly used to characterize the structure and interactions of biological macromolecules and their complexes in solution. Although still a low-resolution technique, the advent of high-flux synchrotron sources and the development of algorithms for the reconstruction of 3-D electron density maps from 1-D scattering profiles have made possible the generation of useful low-resolution molecular models from SAXS data. Furthermore, SAXS is well suited for the study of unfolded or partially folded conformational ensembles as a function of time or solution conditions. Here, we review recently developed algorithms for 3-D structure modeling and applications to protein complexes. Furthermore, we discuss the emerging use of SAXS as a tool to study membrane protein-detergent complexes. SAXS is proving useful to study the folding of functional RNA molecules, and finally we discuss uses of SAXS to study ensembles of denatured proteins.

  9. Clustering of water molecules in ultramicroporous carbon: In-situ small-angle neutron scattering

    DOE PAGES

    Bahadur, Jitendra; Contescu, Cristian I.; Rai, Durgesh K.; Gallego, Nidia C.; Melnichenko, Yuri B.

    2016-10-19

    The adsorption of water is central to most of the applications of microporous carbon as adsorbent material. We report early kinetics of water adsorption in the microporous carbon using in-situ small-angle neutron scattering. It is observed that adsorption of water occurs via cluster formation of molecules. Interestingly, the cluster size remains constant throughout the adsorption process whereas number density of clusters increases with time. The role of surface chemistry of microporous carbon on the early kinetics of adsorption process was also investigated. Lastly, the present study provides direct experimental evidence for cluster assisted adsorption of water molecules in microporous carbonmore » (Do-Do model).« less

  10. Nanopores in track-etched polymer membranes characterized by small-angle x-ray scattering

    NASA Astrophysics Data System (ADS)

    Cornelius, T. W.; Schiedt, B.; Severin, D.; Pépy, G.; Toulemonde, M.; Apel, P. Yu; Boesecke, P.; Trautmann, C.

    2010-04-01

    Nanochannels and nanowires with diameters ranging from 30 to 400 nm were produced by etching ion tracks in thin polyarylate and polycarbonate foils. The shape and the size distribution of dry and wet nanochannels, as well as of nanowires grown therein, were examined by small-angle x-ray scattering. The x-ray intensity as a function of the scattering vector exhibits pronounced oscillations showing that both the channels and the wires have a highly cylindrical geometry and a very narrow size distribution. UV exposure before chemical etching significantly improves the monodispersity of the nanopores. For fixed etching conditions, the scattering patterns provide evidence that the diameter of dry and water-filled channels as well as for embedded nanowires are identical, demonstrating that the pores in the polymer are completely filled.

  11. Robust, high-throughput solution structural analyses by small angle X-ray scattering (SAXS)

    SciTech Connect

    Hura, Greg L.; Menon, Angeli L.; Hammel, Michal; Rambo, Robert P.; Poole II, Farris L.; Tsutakawa, Susan E.; Jenney Jr, Francis E.; Classen, Scott; Frankel, Kenneth A.; Hopkins, Robert C.; Yang, Sungjae; Scott, Joseph W.; Dillard, Bret D.; Adams, Michael W. W.; Tainer, John A.

    2009-07-20

    We present an efficient pipeline enabling high-throughput analysis of protein structure in solution with small angle X-ray scattering (SAXS). Our SAXS pipeline combines automated sample handling of microliter volumes, temperature and anaerobic control, rapid data collection and data analysis, and couples structural analysis with automated archiving. We subjected 50 representative proteins, mostly from Pyrococcus furiosus, to this pipeline and found that 30 were multimeric structures in solution. SAXS analysis allowed us to distinguish aggregated and unfolded proteins, define global structural parameters and oligomeric states for most samples, identify shapes and similar structures for 25 unknown structures, and determine envelopes for 41 proteins. We believe that high-throughput SAXS is an enabling technology that may change the way that structural genomics research is done.

  12. The crystallization of hectorite clays as monitored by small angle X-ray scattering and NMR

    SciTech Connect

    Carrado, K. A.; Xu, L.; Seifert, S.; Gregory, D.; Song, K.; Botto, R. E.

    1999-12-13

    The authors have probed the 48-hr crystallization of a magnesium silicate clay called hectorite. Small angle X-ray scattering (SAXS) at the Advanced Photon Source using aliquots ex situ has revealed that data is consistent with ex situ XRD, TGA, AFM, and IR data in that all these techniques see clay crystallite beginning to form in the first few hours of reaction. Tetraethylammonium (TEA) ions are used to aid crystallization and become incorporated as the exchange cations within the interlayers. {sup 13}C NMR shows that 80% of the final TEA loading is accomplished in the first 10 hrs. {sup 29}Si NMR displays a visible clay silicate peak after just 1 hr. In addition, the first in situ study of clay crystallization of any kind was performed by in situ SAXS. Results are consistent with the ex situ data as well as showing the sensitivity of SAXS to sol gel reactions occurring on the order of minutes.

  13. Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars.

    PubMed

    Fernandez-Castanon, J; Bomboi, F; Rovigatti, L; Zanatta, M; Paciaroni, A; Comez, L; Porcar, L; Jafta, C J; Fadda, G C; Bellini, T; Sciortino, F

    2016-08-28

    DNA oligomers with properly designed sequences self-assemble into well defined constructs. Here, we exploit this methodology to produce bulk quantities of tetravalent DNA nanostars (each one composed of 196 nucleotides) and to explore the structural signatures of their aggregation process. We report small-angle neutron scattering experiments focused on the evaluation of both the form factor and the temperature evolution of the scattered intensity at a nanostar concentration where the system forms a tetravalent equilibrium gel. We also perform molecular dynamics simulations of one isolated tetramer to evaluate the form factor numerically, without resorting to any approximate shape. The numerical form factor is found to be in very good agreement with the experimental one. Simulations predict an essentially temperature-independent form factor, offering the possibility to extract the effective structure factor and its evolution during the equilibrium gelation. PMID:27586949

  14. Small angle x-ray diffraction studies of mucopolysaccharides in collagen.

    PubMed Central

    Lam, R; Claffey, W J; Geil, P H

    1978-01-01

    Small angle X-ray diffraction (SAXD) was used to locate mucopolysaccharides (MPS) at regular intervals along the collagen axis under physiological conditions. Ruthenium red was used to stain the MPS specifically. The difference in electron density between ruthenium red-stained and unstained moist native rat tail tendon should correspond to the position of the MPS. This difference was calculated from the SAXD intensity data by using difference Fourier transform calculations. Phases calculated independently from the amino acid sequence of collagen by two laboratories were used in this calculation, and the results were compared. At least four to seven bands of MPS per 660 A were found at regular intervals along the collagen axis. Some of these bands match in position to the cross-striations observed by freeze-etching. Electron micrographs of ruthenium red-stained native fibrils also showed bands close in position to the ones calculated. Images FIGURE 3 FIGURE 4 FIGURE 6 FIGURE 7 PMID:83884

  15. A microstructural comparison of two nuclear-grade martensitic steels using small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Coppola, R.; Fiori, F.; Little, E. A.; Magnani, M.

    1997-06-01

    Results are presented of a small-angle neutron scattering (SANS) study on two 10-13% Cr martensitic stainless steels of interest for nuclear applications, viz. DIN 1.4914 (MANET specification, for fusion reactors) and AISI 410. The investigation has focussed principally on microstructural effects associated with the differences in chromium content between the two alloys. The size distribution functions determined from nuclear and magnetic SANS components for the two steels given identical heat treatments are in accord with an interpretation based on the presence of ˜ 1 nm size CCr aggregates in the microstructure. Much larger (˜ 10 nm) scattering inhomogeneities with different magnetic contrast are also present and tentatively identified as carbides.

  16. Toward a Taxonomy of the Denatured State: Small Angle Scattering Studies of Unfolded Proteins

    SciTech Connect

    Millett, I.S.; Doniach, S.; Plaxco, K.W.

    2005-02-15

    Despite the critical role the unfolded state plays in defining protein folding kinetics and thermodynamics (Berg et al., 2002; Dunker, 2002; Shortle, 2002; Wright and Dyson, 2002), our understanding of its detailed structure remains rather rudimentary; the heterogeneity of the unfolded ensemble renders difficult or impossible its study by traditional, atomic-level structural methods. Consequently, recent years have seen a significant expansion of small-angle X-ray and neutron scattering (SAXS and SANS, respectively) techniques that provide direct, albeit rotationally and time-averaged, measures of the geometric properties of the unfolded ensemble. These studies have reached a critical mass, allowing us for the first time to define general observations regarding the nature of the geometry - and possibly the chemistry and physics - of unfolded proteins.

  17. Small Angle X-ray Scattering in Structural Investigation of Selected Biological Systems

    SciTech Connect

    Kozak, Maciej

    2007-11-26

    Small angle X-ray scattering method (SAXS) is a technique complementary to the protein crystallography, allowing determination of the structural parameters such as the radius of gyration or the maximum size characterizing the macromolecules, and providing information on the conformational changes taking place in solution. The use of SAXS method enables a comparison of the protein crystal structure with the data collected in solution. Recent development of the measurement techniques (mainly those based on synchrotron radiation) and calculation methods has permitted introduction of advanced techniques also in the field of structural analysis of biomolecules (e.g. for determination of the shape of the protein molecule in solution). The paper presents a few selected methods of structural analysis of biological systems based on the SAXS data and illustrates their performance on the example of xylanase from Trichoderma longibrachiatum and a model phospholipid system.

  18. Small Angle X-ray Scattering in Structural Investigation of Selected Biological Systems

    NASA Astrophysics Data System (ADS)

    Kozak, Maciej

    2007-11-01

    Small angle X-ray scattering method (SAXS) is a technique complementary to the protein crystallography, allowing determination of the structural parameters such as the radius of gyration or the maximum size characterizing the macromolecules, and providing information on the conformational changes taking place in solution. The use of SAXS method enables a comparison of the protein crystal structure with the data collected in solution. Recent development of the measurement techniques (mainly those based on synchrotron radiation) and calculation methods has permitted introduction of advanced techniques also in the field of structural analysis of biomolecules (e.g. for determination of the shape of the protein molecule in solution). The paper presents a few selected methods of structural analysis of biological systems based on the SAXS data and illustrates their performance on the example of xylanase from Trichoderma longibrachiatum and a model phospholipid system.

  19. A new small-angle neutron scattering spectrometer at China Mianyang research reactor

    NASA Astrophysics Data System (ADS)

    Peng, Mei; Sun, Liangwei; Chen, Liang; Sun, Guangai; Chen, Bo; Xie, Chaomei; Xia, Qingzhong; Yan, Guanyun; Tian, Qiang; Huang, Chaoqiang; Pang, Beibei; Zhang, Ying; Wang, Yun; Liu, Yaoguang; Kang, Wu; Gong, Jian

    2016-02-01

    A new pinhole small-angle neutron scattering (SANS) spectrometer, installed at the cold neutron source of the 20 MW China Mianyang Research Reactor (CMRR) in the Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, has been put into use since 2014. The spectrometer is equipped with a multi-blade mechanical velocity selector, a multi-beam collimation system, and a two-dimensional He-3 position sensitive neutron detector. The q-range of the spectrometer covers from 0.01 nm-1 to 5.0 nm-1. In this paper, the design and characteristics of the SANS spectrometer are described. The q-resolution calculations, together with calibration measurements of silver behenate and a dispersion of nearly monodisperse poly-methyl-methacrylate nanoparticles indicate that our SANS spectrometer has a good performance and is now in routine service.

  20. Structure of nanocrystalline palladium and copper studied by small angle neutron scattering

    SciTech Connect

    Sanders, P.G.; Weertman, J.R.; Barker, J.G.

    1996-12-01

    The structure of nanocrystalline palladium and copper, made by inert gas condensation and compaction, was studied using small angle neutron scattering (SANS), optical microscopy, and scanning electron microscopy. The effects of annealing and warm compaction were also examined with these techniques. The SANS results were interpreted using a maximum entropy routine, combined with knowledge of the Archimedes density and hydrogen concentration determined by prompt gamma activation analysis (PGAA). Similar hydrogen concentrations were detected by SANS and PGAA. This hydrogen content, which was approximately 5 at.{percent} in samples compacted at room temperature, was reduced by both annealing and warm compaction. Defects in several size classes were observed, including missing grain pores ({approx_equal}1{endash}50 nm diameter) and defects of micrometer size. Warm compaction produced a lower number density of pores in nanocrystalline palladium, which led to increased density. The observed structure was correlated with Vickers microhardness and fracture surface morphology. {copyright} {ital 1996 Materials Research Society.}

  1. Polyhydroxyalkanoate-based natural synthetic hybrid copolymer films: A small-angle neutron scattering study

    NASA Astrophysics Data System (ADS)

    Foster, L. John R.; Knott, Robert; Sanguanchaipaiwong, Vorapat; Holden, Peter J.

    2006-11-01

    Polyhydroxyalkanoates have attracted attention as biodegradable alternatives to conventional thermoplastics and as biomaterials. Through modification of their biosynthesis using Pseudomonas oleovorans, we have manipulated the material properties of these biopolyesters and produced a natural-synthetic hybrid copolymer of polyhydroxyoctanoate- block-diethylene glycol (PHO- b-DEG). A mixture of PHO and PHO-DEG were solvent cast from analytical grade chloroform and analysed using small-angle neutron scattering. A scattering pattern, easily distinguished above the background, was displayed by the films with a diffraction ring at q∼0.12 Å -1. This narrow ring of intensity is suggestive of a highly ordered system. Analysis of the diffraction pattern supported this concept and showed a d-spacing of approximately 50 Å. In addition, conformation of the hybrid polymer chains can be manipulated to support their self-assembly into ordered microporous films.

  2. Mixed micelles of alkyltrimethylammonium halides A small-angle neutron-scattering study

    NASA Astrophysics Data System (ADS)

    Aswal, V. K.; Goyal, P. S.

    1998-01-01

    Mixed micelles of alkyltrimethylammonium halides have been studied using small-angle neutron scattering (SANS). The experiments were carried out on mixed micellar solutions (CTAB + DTAB, CTAB + TTAB and TTAB + DTAB) of surfactants with the same head group but different chain lengths. The measurements were also made from the mixture of surfactants with the same chain length but different head groups of CTAB + CDAB and CTAB + CTAC. The surfactant components were mixed in the molar proportions of 1:1 and the total concentration was kept 0.2 M. It is found that size, aggregation number and the fractional charge on the micelle in the mixed systems have values in between those for the pure-component systems.

  3. Tackiness of pressure-sensitive adhesives: An ultra-small-angle X-ray scattering investigation

    NASA Astrophysics Data System (ADS)

    Müller-Buschbaum, P.; Ittner, T.; Petry, W.

    2004-05-01

    The debonding of a model pressure-sensitive adhesive (PSA) poly-n-buthylacrylate is investigated by a combination of the mechanical tack test, optical microscopy and in situ ultra-small-angle X-ray scattering. From the mechanical test, macroscopic values such as force-distance curves are determined. The force-distance curve exhibits the typical non-linear behavior. With microscopy the macroscopic cavitation structure is observed. Scattering addresses the structure of the PSA on a microscopic level for the first time. As a new feature, a sub-structure of the usual optically resolvable macroscopic fibrils between the PSA surface and the probe punch is detected. The sub-structure exists over a large distance between the PSA and the probe surface and remains constant in diameter. This behavior of the sub-structure as well as the dependence of the force plateau on the film thickness are compared with theoretical predictions.

  4. Small angle x-ray scattering studies of carbon anodes used in lithium rechargeable batteries.

    SciTech Connect

    Sandi, G.; Carrado, K. A.; Winans, R. E.; Seifert, S.; Johnson, C. S.

    1999-11-16

    In ANL laboratories, disordered carbons with predictable surface area and porosity properties have been prepared using inorganic templates containing well defined pore sizes. The carbons have been tested in electrochemical cells as anodes in lithium secondary batteries. They deliver high specific capacity and display excellent performance in terms of the number of cycles run. In situ small angle X-ray scattering (SAXS) during electrochemical cycling was carried out at the Advanced Photon Source, at ANL. In order to monitor the carbon electrode structural changes upon cycling, an electrochemical cell was specially designed to allow for the application of electrical current and the collection of SAXS data at the same time. Results show that upon cycling the structure of the carbon remains unchanged, which is desirable in reversible systems.

  5. Small angle neutron and X-ray scattering studies of carbons prepared using inorganic templates

    SciTech Connect

    Sandi, G.; Thiyagarajan, P.; Winans, R.E.; Carrado, K.A.

    1997-09-01

    Small angle neutron (SANS) and X-ray (SAXS) scattering analyses of carbons derived from organic-loaded inorganic template materials, used as anodes in lithium ion cells, have been performed. Two clays were used as templates to load the organic precursors, pillared montmorrillonite (PILC), a layered silicate clay whose sheets have been permanently propped open by sets of thermally stable molecular props, and sepiolite, a natural channeled clay. Five different organic precursors were used to load the PILC: pyrene, styrene, pyrene/trioxane copolymer, ethylene and propylene, whereas only propylene and ethylene were used to load sepiolite. Pyrolysis took place at 700{degrees}C under nitrogen. Values such as hole radius, fractal dimension, cutoff length and density of the final carbons will be compared as a function of the clay and carbon precursors.

  6. Small angle neutron scattering analysis of novel carbons for lithium secondary batteries.

    SciTech Connect

    Sandi, G.; Thiyagarajan, P.; Winans, R.; Carrado, K.

    1998-01-14

    Small angle neutron scattering analyses of carbonaceous materials used as anodes in lithium ion cells have been performed. The carbons have been synthesized using pillared clays (PILCs) as inorganic templates. Pillared clays are layered silicates whose sheets have been permanently propped open by sets of thermally stable molecular props. The calcined PILC was loaded with five different organic precursors and heated at 700 C under nitrogen. When the inorganic pillars were removed by acid treatment, carbon sheets are produced with holes. The fitting of the data in the high q region suggested that the carbon sheets have voids with radii ranging from 4 to 8 {angstrom}. Similar radii were obtained for the PILC and PILC/organic precursor, which suggests that the carbon was well distributed in the clay prior to pyrolysis.

  7. Multiple magnetic scattering in small-angle neutron scattering of Nd–Fe–B nanocrystalline magnet

    PubMed Central

    Ueno, Tetsuro; Saito, Kotaro; Yano, Masao; Ito, Masaaki; Shoji, Tetsuya; Sakuma, Noritsugu; Kato, Akira; Manabe, Akira; Hashimoto, Ai; Gilbert, Elliot P.; Keiderling, Uwe; Ono, Kanta

    2016-01-01

    We have investigated the influence of multiple scattering on the magnetic small-angle neutron scattering (SANS) from a Nd–Fe–B nanocrystalline magnet. We performed sample-thickness- and neutron-wavelength-dependent SANS measurements, and observed the scattering vector dependence of the multiple magnetic scattering. It is revealed that significant multiple scattering exists in the magnetic scattering rather than the nuclear scattering of Nd–Fe–B nanocrystalline magnet. It is considered that the mean free path of the neutrons for magnetic scattering is rather short in Nd–Fe–B magnets. We analysed the SANS data by the phenomenological magnetic correlation model considering the magnetic microstructures and obtained the microstructural parameters. PMID:27321149

  8. The complete VS ribozyme in solution studied by small-angle X-ray scattering

    SciTech Connect

    Lipfert, Jan; Ouellet, Jonathan; Norman, David G.; Doniach, Sebastian; Lilley, David M.J.

    2008-10-06

    We have used small-angle X-ray solution scattering to obtain ab initio shape reconstructions of the complete VS ribozyme. The ribozyme occupies an electron density envelope with an irregular shape, into which helical sections have been fitted. The ribozyme is built around a core comprising a near-coaxial stack of three helices, organized by two three-way helical junctions. An additional three-way junction formed by an auxiliary helix directs the substrate stem-loop, juxtaposing the cleavage site with an internal loop to create the active complex. This is consistent with the current view of the probable mechanism of trans-esterification in which adenine and guanine nucleobases contributed by the interacting loops combine in general acid-base catalysis.

  9. Characterization of Nanocomposite filler Morphology using Ultra Small-Angle X-ray Scattering

    SciTech Connect

    Justice, Ryan S.; Schaefer, Dale W.

    2010-10-22

    Loading polymer matrices with nanoscale fillers is widely believed to have the potential to push polymer properties to extreme values. Realization of anticipated properties, however, has proven elusive. Recent nanocomposite research suggests better characterization of the large-scale morphology will provide insight explaining these shortfalls. This work will present ultra-small angle X-ray scattering as a viable tool for elucidating the hierarchical filler morphology that exists within polymer nanocomposites. Scattering analysis tools developed by our group will be applied to scattering data from nanocomposites filled with carbon nanotubes, layered silicates, and colloidal silica. The relationship between imaging data and scattering data will be discussed in the context of filler dispersion. Finally, the impact of large-scale filler morphology on mechanical and electrical properties will be discussed.

  10. The complete VS ribozyme in solution studied by small-angle X-ray scattering

    PubMed Central

    Lipfert, Jan; Ouellet, Jonathan; Norman, David G.; Doniach, Sebastian; Lilley, David M.J.

    2010-01-01

    SUMMARY We have used small-angle X-ray solution scattering to obtain ab initio shape reconstructions of the complete VS ribozyme. The ribozyme occupies an electron density envelope with an irregular shape, into which helical sections have been fitted. The ribozyme is built around a core comprising a near-coaxial stack of three helices, organized by two three-way helical junctions. An additional three-way junction formed by an auxiliary helix directs the substrate stem-loop, juxtaposing the cleavage site with an internal loop to create the active complex. This is consistent with the current view of the probable mechanism of transesterification in which adenine and guanine nucleobases contributed by the interacting loops combine together in general acid-base catalysis. PMID:18786398

  11. Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars

    NASA Astrophysics Data System (ADS)

    Fernandez-Castanon, J.; Bomboi, F.; Rovigatti, L.; Zanatta, M.; Paciaroni, A.; Comez, L.; Porcar, L.; Jafta, C. J.; Fadda, G. C.; Bellini, T.; Sciortino, F.

    2016-08-01

    DNA oligomers with properly designed sequences self-assemble into well defined constructs. Here, we exploit this methodology to produce bulk quantities of tetravalent DNA nanostars (each one composed of 196 nucleotides) and to explore the structural signatures of their aggregation process. We report small-angle neutron scattering experiments focused on the evaluation of both the form factor and the temperature evolution of the scattered intensity at a nanostar concentration where the system forms a tetravalent equilibrium gel. We also perform molecular dynamics simulations of one isolated tetramer to evaluate the form factor numerically, without resorting to any approximate shape. The numerical form factor is found to be in very good agreement with the experimental one. Simulations predict an essentially temperature-independent form factor, offering the possibility to extract the effective structure factor and its evolution during the equilibrium gelation.

  12. Small-angle scattering instruments on a 1 MW long pulse spallation source

    SciTech Connect

    Olah, G.A.; Hjelm, R.P.; Seeger, P.A.

    1995-12-01

    Two small-angle neutron scattering instruments have been designed and optimized for installation at a 1 MW long pulse spallation source. The first of these instruments allows access to length scales in materials from 10 to 400 {angstrom}, and the second instrument from 40 to 1200 {angstrom}. Design characteristics were determined and optimization was done using the MCLIB Monte Carlo instrument simulation package. The code has been {open_quote}benchmarked{close_quote} by simulating the {open_quote}as-built{close_quote} D11 spectrometer at ILL and a performance comparison of the three instruments was made. Comparisons were made by evaluating the scattered intensity for {delta} scatterers at different Q values for various instrument configurations needed to span a Q-range of 0.0007 - 0.44 {angstrom}{sup {minus}1}.

  13. Multiple magnetic scattering in small-angle neutron scattering of Nd-Fe-B nanocrystalline magnet.

    PubMed

    Ueno, Tetsuro; Saito, Kotaro; Yano, Masao; Ito, Masaaki; Shoji, Tetsuya; Sakuma, Noritsugu; Kato, Akira; Manabe, Akira; Hashimoto, Ai; Gilbert, Elliot P; Keiderling, Uwe; Ono, Kanta

    2016-06-20

    We have investigated the influence of multiple scattering on the magnetic small-angle neutron scattering (SANS) from a Nd-Fe-B nanocrystalline magnet. We performed sample-thickness- and neutron-wavelength-dependent SANS measurements, and observed the scattering vector dependence of the multiple magnetic scattering. It is revealed that significant multiple scattering exists in the magnetic scattering rather than the nuclear scattering of Nd-Fe-B nanocrystalline magnet. It is considered that the mean free path of the neutrons for magnetic scattering is rather short in Nd-Fe-B magnets. We analysed the SANS data by the phenomenological magnetic correlation model considering the magnetic microstructures and obtained the microstructural parameters.

  14. Periodic blade loads of a high speed propeller at small angle of attack

    NASA Technical Reports Server (NTRS)

    Takallu, M. A.; Lessard, V. R.

    1991-01-01

    A code has been developed to predict the periodic aerodynamic loads of an advanced turboprop propeller. The analytical formulation accounts for flow three-dimensionality and flow periodicity due to the propeller inclination. The flow past the blade sections is computed using a thin layer Navier-Stokes solver. An iterative procedure is used to account for the induced axial and rotational velocities. The viscous periodic results are obtained for an eight-bladed Hamilton Standard SR-7L advanced propeller at a cruise Mach number of 0.813 and 35,000 ft. altitude. The results are shown for flow field quantities and performance parameters during the blade passage in the plane of rotation illustrating the periodic nature of blade flow separation and shocks. The time averaged coefficients of thrust and power are computed and compared with available flight test data. The results obtained show excellent agreement at cruise conditions for small nacelle angles of attack.

  15. Study of the enzyme ascorbate oxidase by small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Maritano, S.; Carsughi, F.; Fontana, M. P.; Marchesini, A.

    1996-09-01

    We report a study of the large scale structure of the "blue" copper enzyme ascorbate oxidase by small angle neutron scattering. The enzyme has been extracted from zucchini and studied in solutions of two different preparations. Contrast variation method was used by performing the measurements in water, heavy water and mixtures of H 2OD 2O. Our data show that, at least at the concentrations used here, the gyration radius of the enzyme is about 34 Å; with such a value our analysis is most consistent with a value of 70 KDa for the molecular weight of ascorbate oxidase in the conditions of our experiment. This is in contrast to the generally accepted value of 140 KDa, obtained by other techniques at high concentrations (e.g. greater than 2 mg ml -1). The possible origins of such a discrepancy are discussed.

  16. Multiple magnetic scattering in small-angle neutron scattering of Nd-Fe-B nanocrystalline magnet.

    PubMed

    Ueno, Tetsuro; Saito, Kotaro; Yano, Masao; Ito, Masaaki; Shoji, Tetsuya; Sakuma, Noritsugu; Kato, Akira; Manabe, Akira; Hashimoto, Ai; Gilbert, Elliot P; Keiderling, Uwe; Ono, Kanta

    2016-01-01

    We have investigated the influence of multiple scattering on the magnetic small-angle neutron scattering (SANS) from a Nd-Fe-B nanocrystalline magnet. We performed sample-thickness- and neutron-wavelength-dependent SANS measurements, and observed the scattering vector dependence of the multiple magnetic scattering. It is revealed that significant multiple scattering exists in the magnetic scattering rather than the nuclear scattering of Nd-Fe-B nanocrystalline magnet. It is considered that the mean free path of the neutrons for magnetic scattering is rather short in Nd-Fe-B magnets. We analysed the SANS data by the phenomenological magnetic correlation model considering the magnetic microstructures and obtained the microstructural parameters. PMID:27321149

  17. Small-angle scattering as a tool to study the thermal denaturation of DNA

    NASA Astrophysics Data System (ADS)

    Wood, Kathleen; Knott, Robert; Tonchev, Ognyan; Angelov, Dimitar; Theodorakopoulos, Nikos; Peyrard, Michel

    2014-10-01

    DNA thermal denaturation is the breaking of the base pairs, leading to a splitting of the two strands of the double helix. While it is easy to measure the fraction of open base pairs (f) vs. temperature, determining the fraction (p) of fully open molecules is much harder. Previously, the simultaneous recording of f and p could only be achieved for special sequences. We show that small-angle scattering of X-rays or neutrons allows the measurement of p for any sequence. We illustrate the method with a SAXS investigation of two sequences designed to exhibit different melting profiles and compare the SAXS data with nano-calorimetric measurements of the melting curve.

  18. Probing coal reactivity by time-resolved small angle x-ray scattering.

    SciTech Connect

    Winans, R. E.

    1999-01-22

    The objective of this study is to observe changes in coal structure in situ with small angle X-ray scattering (SAXS) during solvent swelling and during pyrolysis. We have built a SAXS instrument at the Basic Energy Sciences Synchrotrons Research Center at the Advanced Photon Source that allows us to obtain scattering patterns in the millisecond time domain. The eight Argonne Premium Coal samples were used in this study. The information that can be derived from these experiments, such as changes in fractal dimensionality and in size and type of porosity, was found to be very rank-dependent. In the swelling experiments, it was noted that for certain coals, structural changes occurred in just a few minutes.

  19. Spin echo small angle neutron scattering using a continuously pumped {sup 3}He neutron polarisation analyser

    SciTech Connect

    Parnell, S. R.; Li, K.; Yan, H.; Stonaha, P.; Li, F.; Wang, T.; Baxter, D. V.; Snow, W. M.; Washington, A. L.; Walsh, A.; Chen, W. C.; Parnell, A. J.; Fairclough, J. P. A.; Pynn, R.

    2015-02-15

    We present a new instrument for spin echo small angle neutron scattering (SESANS) developed at the Low Energy Neutron Source at Indiana University. A description of the various instrument components is given along with the performance of these components. At the heart of the instrument are a series of resistive coils to encode the neutron trajectory into the neutron polarisation. These are shown to work well over a broad range of neutron wavelengths. Neutron polarisation analysis is accomplished using a continuously operating neutron spin filter polarised by Rb spin-exchange optical pumping of {sup 3}He. We describe the performance of the analyser along with a study of the {sup 3}He polarisation stability and its implications for SESANS measurements. Scattering from silica Stöber particles is investigated and agrees with samples run on similar instruments.

  20. Small-angle neutron scattering from polymer hydrogels with memory effect for medicine immobilization

    SciTech Connect

    Kulvelis, Yu. V. Lebedev, V. T.; Trunov, V. A.; Pavlyuchenko, V. N.; Ivanchev, S. S.; Primachenko, O. N.; Khaikin, S. Ya.

    2011-12-15

    Hydrogels synthesized based on cross-linked copolymers of 2-hydroxyethyl methacrylate and functional monomers (acrylic acid or dimethylaminoethyl methacrylate), having a memory effect with respect to target medicine (cefazolin), have been investigated by small-angle neutron scattering. The hydrogels are found to have a two-level structural organization: large (up to 100 nm) aggregates filled with network cells (4-7 nm in size). The structural differences in the anionic, cationic, and amphiphilic hydrogels and the relationship between their structure and the ability of hydrogels to absorb moisture are shown. A relationship between the memory effect during cefazolin immobilization and the internal structure of hydrogels, depending on their composition and type of functional groups, is established.

  1. Beyond the small-angle approximation for MBR anisotropy from seeds

    NASA Astrophysics Data System (ADS)

    Stebbins, Albert; Veeraraghavan, Shoba

    1995-02-01

    In this paper we give a general expression for the energy shift of massless particles traveling through the gravitational field of an arbitrary matter distribution as calculated in the weak field limit in an asymptotically flat space-time. It is not assumed that matter is nonrelativistic. We demonstrate the surprising result that if the matter is illuminated by a uniform brightness background that the brightness pattern observed at a given point in space-time (modulo a term dependent on the observer's velocity) depends only on the matter distribution on the observer's past light cone. These results apply directly to the cosmological MBR anisotropy pattern generated in the immediate vicinity of an object such as a cosmic string or global texture. We apply these results to cosmic strings, finding a correction to previously published results in the small-angle approximation. We also derive the full-sky anisotropy pattern of a collapsing texture knot.

  2. Adsorption of CO2 in porous MCM-41 and MCM-48 using small angle scattering

    NASA Astrophysics Data System (ADS)

    Wang, Bo; Das, Narayan; Warren, Garfield; Rupp, John; Mastalerz, Maria; Prisk, Timothy; Sokol, Paul

    2012-02-01

    Adsorption of CO2 onto the surface of nanopores in organic rich materials, such as shale and coals, is of great interest for understanding the processes associated with geological sequestration. These natural materials have complex pore structures which make the interpretation of experimental sorption measurements complicated. MCMs are synthetic materials with a well-defined regular porous structure that provides an ideal substrate to evaluate the models for the adsorption of gases (CO2) into nanopores. Samples of MCM-41 and MCM-48 were synthesized at Indiana University and were characterized by nitrogen adsorption isotherms and Small Angle X-ray Scattering (SAXS). SANS studies were carried out on MCMs with different pore sizes as a function of pore filling and the results are interpreted in terms of layer growth models.

  3. Online ion-exchange chromatography for small-angle X-ray scattering

    PubMed Central

    Hutin, Stephanie; Brennich, Martha; Maillot, Benoit; Round, Adam

    2016-01-01

    Biological small-angle X-ray scattering (BioSAXS) is a powerful technique to determine the solution structure, particle size, shape and surface-to-volume ratio of macromolecules. However, a drawback is that the sample needs to be monodisperse. To ensure this, size-exclusion chromatography (SEC) has been implemented on many BioSAXS beamlines. Here, the integration of ion-exchange chromatography (IEC) using both continuous linear and step gradients on a beamline is described. Background subtraction for continuous gradients by shifting a reference measurement and two different approaches for step gradients, which are based on interpolating between two background measurements, are discussed. The results presented here serve as a proof of principle for online IEC and subsequent data treatment. PMID:27710930

  4. Elucidating the Molecular Deformation Mechanism of Entangled Polymers in Fast Flow by Small Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Wang, Yangyang; Sanchez-Diaz, Luis; Cheng, Shiwang; Hong, Kunlun; Chen, Wei-Ren; Liu, Jianning; Lin, Panpan; Wang, Shi-Qing

    Understanding the viscoelastic properties of polymers is of fundamental and practical importance because of the vast and ever expanding demand of polymeric materials in daily life. Our current theoretical framework for describing the nonlinear flow behavior of entangled polymers is built upon the tube model pioneered by de Gennes, Doi, and Edwards. In this work, we critically examine the central hypothesis of the tube model for nonlinear rheology using small angle neutron scattering (SANS). While the tube model envisions a unique non-affine elastic deformation mechanism for entangled polymers, our SANS measurements show that the evolution of chain conformation of a well-entangled polystyrene melt closely follows the affine deformation mechanism in uniaxial extension, even when the Rouse Weissenberg number is much smaller than unity. This result provides a key clue for understanding the molecular deformation mechanism of entangled polymers in fast flow. Several implications from our analysis will be discussed in this talk.

  5. PREFACE Proceedings of the XIV International Conference on Small-Angle Scattering, SAS-2009

    NASA Astrophysics Data System (ADS)

    King, Stephen; Terrill, Nicholas

    2010-10-01

    The XIV International Conference on Small-Angle Scattering, SAS-2009, was held in Oxford UK, 13-18 September 2009, and was jointly organised under the auspices of the International Union of Crystallography Commission on SAS by a team from the Diamond Light Source and the ISIS Pulsed Neutron Source - their first such joint venture - with help from the UK Science and Technology Facilities Council. It was the first time that this long running and successful series of conferences on the application, science and technology of small-angle scattering techniques had been staged in the UK. The UK has a proud heritage in small-angle scattering: as home to one of the world's first SANS instruments (at AERE Harwell), as the site of the world's first 2nd generation X-ray Synchrotron (the SRS at Daresbury with its suite of SAXS beamlines), and latterly as the location of the world's most successful pulsed source SANS instrument. Indeed, 2009 also marked the 25th Anniversary of neutron operations at ISIS and the opening of a Second Target Station. Whilst the SRS ceased operations in 2008, its mantle has been inherited by the Diamond synchrotron. Many delegates took the opportunity to visit both Diamond and ISIS during a conference excursion. Despite the prevailing global economic downturn, we were delighted that 434 delegates from 32 different countries were able to attend SAS-2009; two-thirds were drawn from the UK, Germany, Japan, the USA and France, but there were also sizeable contingents from Australia, Korea, Taiwan and South America. In many ways this geographical spread reflects the present and emerging distribution, respectively, of 3rd generation X-ray synchrotrons and high-flux neutron sources, although the scope of the conference was not solely limited to these probes. Financial support from the IUCr enabled us to grant bursaries to attend SAS-2009 to 12 delegates from emerging countries (Algeria, Argentina, Brazil, India, Nepal, Romania, Russia and the Ukraine). The

  6. Resonantly enhanced kicks from equatorial small mass-ratio inspirals

    NASA Astrophysics Data System (ADS)

    van de Meent, Maarten

    2014-08-01

    We calculate the kick generated by an eccentric black hole binary inspiral as it evolves through a resonant orbital configuration where the precession of the system temporarily halts. As a result, the effects of the asymmetric emission of gravitational waves build up coherently over a large number of orbits. Our results are calculated using black hole perturbation theory in the limit where the ratio of the masses of the orbiting objects ɛ =m/M is small. The resulting kick velocity scales as ɛ3/2, much faster than the ɛ2 scaling of the kick generated by the final merger. For the most extreme case of a very eccentric (e˜1) inspiral around a maximally spinning black hole, we find kicks close to 30 000 ɛ3/2 km /s, enough to dislodge an intermediate-mass black hole from its host globular cluster. In reality, such extreme inspirals should be very rare. Nonetheless, the astrophysical impact of kicks in less extreme inspirals could be astrophysically significant.

  7. Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water

    NASA Astrophysics Data System (ADS)

    Wikfeldt, K. T.; Huang, C.; Nilsson, A.; Pettersson, L. G. M.

    2011-06-01

    We present extensive simulations on the TIP4P/2005 water model showing significantly enhanced small-angle scattering (SAS) in the supercooled regime. The SAS is related to the presence of a Widom line (TW) characterized by maxima in thermodynamic response functions and Ornstein-Zernike correlation length. Recent experimental small-angle x-ray scattering data [Huang et al., J. Chem. Phys. 133, 134504 (2010)], 10.1063/1.3495974 are excellently reproduced, albeit with an increasing temperature offset at lower temperatures. Assuming the same origin of the SAS in experiment and model this suggests the existence of a Widom line also in real supercooled water. Simulations performed at 1000 bar show an increased abruptness of a crossover from dominating high-density (HDL) to dominating low-density (LDL) liquid and strongly enhanced SAS associated with crossing TW, consistent with a recent determination of the critical pressure of TIP4P/2005 at 1350 bar. Furthermore, good agreement with experimental isothermal compressibilities at 1000, 1500, and 2000 bar shows that the high pressure supercooled thermodynamic behavior of water is well described by TIP4P/2005. Analysis of the tetrahedrality parameter Q reveals that the HDL-LDL structural transition is very sharp at 1000 bar, and that structural fluctuations become strongly coupled to density fluctuations upon approaching TW. Furthermore, the tetrahedrality distribution becomes bimodal at ambient temperatures, an observation that possibly provides a link between HDL-LDL fluctuations and the structural bimodality in liquid water indicated by x-ray spectroscopic techniques. Computed x-ray absorption spectra are indeed found to show sensitivity to the tetrahedrality parameter.

  8. Structural and Thermodynamic Properties of Septin 3 Investigated by Small-Angle X-Ray Scattering

    PubMed Central

    Ortore, Maria Grazia; Macedo, Joci N.A.; Araujo, Ana Paula U.; Ferrero, Claudio; Mariani, Paolo; Spinozzi, Francesco; Itri, Rosangela

    2015-01-01

    Septins comprise a family of proteins involved in a variety of cellular processes and related to several human pathologies. They are constituted by three structural domains: the N- and C-terminal domains, highly variable in length and composition, and the central domain, involved in the guanine nucleotide (GTP) binding. Thirteen different human septins are known to form heterogeneous complexes or homofilaments, which are stabilized by specific interactions between the different interfaces present in the domains. In this work, we have investigated by in-solution small-angle x-ray scattering the structural and thermodynamic properties of a human septin 3 construct, SEPT3-GC, which contains both of both interfaces (G and NC) responsible for septin-septin interactions. In order to shed light on the role of these interactions, small-angle x-ray scattering measurements were performed in a wide range of temperatures, from 2 up to 56°C, both with and without a nonhydrolysable form of GTP (GTPγS). The acquired data show a temperature-dependent coexistence of monomers, dimers, and higher-order aggregates that were analyzed using a global fitting approach, taking into account the crystallographic structure of the recently reported SEPT3 dimer, PDB:3SOP. As a result, the enthalpy, entropy, and heat capacity variations that control the dimer-monomer dissociation equilibrium in solution were derived and GTPγS was detected to increase the enthalpic stability of the dimeric species. Moreover, a temperature increase was observed to induce dissociation of SEPT3-GC dimers into monomers just preceding their reassembling into amyloid aggregates, as revealed by the Thioflavin-T fluorescence assays. PMID:26083929

  9. Efficiency of an unstable resonator with an active medium containing small-scale phase inhomogeneities

    SciTech Connect

    Lobachev, V V; Strakhov, S Yu

    2004-01-31

    Properties of an unstable resonator with small-scale periodic inhomogeneities of the refractive index in an active medium are considered. It is shown that the parameters of output radiation depend on the structure of a phase inhomogeneity. The methods for increasing the resonator efficiency are analysed. (resonators. interferometers)

  10. Nuclear Magnetic Resonance Spectroscopy Applications: Proton NMR In Biological Objects Subjected To Magic Angle Spinning

    SciTech Connect

    Wind, Robert A.; Hu, Jian Zhi

    2005-01-01

    Proton NMR in Biological Objects Submitted to Magic Angle Spinning, In Encyclopedia of Analytical Science, Second Edition (Paul J. Worsfold, Alan Townshend and Colin F. Poole, eds.), Elsevier, Oxford 6:333-342. Published January 1, 2005. Proposal Number 10896.

  11. Peculiarities of the optimisation of optical resonators with regular small-scale inhomogeneities of an active medium

    SciTech Connect

    Lobachev, V V; Strakhov, S Yu

    2005-10-31

    The peculiarities of parametric optimisation of resonators containing small-scale inhomogeneities are considered. The two most important practical cases are studied in detail: an unstable resonator with small-scale phase inhomogeneities in the active medium and a stable resonator with small-scale amplitude modulations caused by the use of a perforated output mirror. (resonators)

  12. Nanostructural features in silica-polyvinyl acetate nanocomposites characterized by small-angle scattering.

    SciTech Connect

    Narayanan, R. A.; Thiyagarajan, P.; Zhu, A. J.; Ash, J.; Shofner, M. L.; Schadler, L. S.; Kumar, S. K.; Sternstein, S. S.; ORNL; Rensselaer Polytechnic Inst.

    2007-09-10

    Small-angle scattering (SAS) experiments were carried out on nanocomposites of poly(vinyl acetate) (PVAc) and fumed silica nanoparticles with different surface areas and chemical treatment, in the wave-vector (Q) range: 0.0002-1 Angstrom{sup -1}. SAS data on composites with matrices of two different molecular weights indicate that the particle aggregation is independent of the molecular weight of the matrix for a fixed filler concentration and surface treatment. Particle size distributions derived from the SAS data suggest that particle aggregation is reduced when the native surface hydroxyl groups are blocked by various surface treatments, which also reduce the bonding strength to the polymer matrix. The unified exponential/power-law analysis of the SAS data shows three levels of hierarchy in the organization of silica particles. The first level consists of small aggregates of silica particles. At the second level we observe polydispersed aggregates resembling mass-fractal objects that is corroborated by TEM. The polydispersed aggregates further associate to form agglomerates at the third level. The relevance of these findings to the mechanism of nanofiller reinforcement of linear amorphous polymers above T{sub g} is discussed.

  13. Nanostructural Features in Silica-polyvinyl Acetate Nanocomposites Characterized by Small-Angle Scattering

    SciTech Connect

    Raghavan, Aravinda N; Thiyagarajan, P.; Zhu, Dr. Ai-Jun; Ash, Dr. Benjamin J.; Shofner, M. L.; Schadler, Linda; Kumar, Sanat K; Sternstein, S. S.

    2007-01-01

    Small-angle scattering (SAS) experiments were carried out on nanocomposites of poly(vinyl acetate) (PVAc) and fumed silica nanoparticles with different surface areas and chemical treatment, in the wave-vector (Q) range: 0.0002-1 A-1 . SAS data on composites with matrices of two different molecular weights indicate that the particle aggregation is independent of the molecular weight of the matrix for a fixed filler concentration and surface treatment. Particle size distributions derived from the SAS data suggest that particle aggregation is reduced when the native surface hydroxyl groups are blocked by various surface treatments, which also reduce the bonding strength to the polymer matrix. The unified exponential/power-law analysis of the SAS data shows three levels of hierarchy in the organization of silica particles. The first level consists of small aggregates of silica particles. At the second level we observe polydispersed aggregates resembling mass-fractal objects that is corroborated by TEM. The polydispersed aggregates further associate to form agglomerates at the third level. The relevance of these findings to the mechanism of nanofiller reinforcement of linear amorphous polymers above Tg is discussed.

  14. Glycerol monooleate reverse micelles in nonpolar solvents: computer simulations and small-angle neutron scattering.

    PubMed

    Bradley-Shaw, Joshua L; Camp, Philip J; Dowding, Peter J; Lewtas, Ken

    2015-03-19

    The formation of glycerol monooleate reverse micelles in n-heptane and toluene at room temperature is studied using molecular-dynamics simulations and small-angle neutron scattering. The glycerol monooleate concentrations under consideration are in the range of 5-20 wt %. Under these conditions, spontaneous reverse-micelle formation is observed on the simulation timescale (up to 30 ns). From simulations, the typical dimensions (semiaxes) of the equivalent ellipsoids with the same masses and moments of inertia are in the range of 15-23 Å, with instantaneous shapes that are slightly nonspherical. By analyzing the scattering form factors from simulation and experiment, the radii of gyration of the reverse micelles are determined to be approximately 15 Å. The number of glycerol monooleate molecules in a reverse micelle is smaller in toluene (∼20) than in n-heptane (∼30), but the overall dimensions are similar due to greater penetration of the toluene in to the reverse micelle. The effects of low concentrations (1 wt %) of water, acetic acid, and ethanol on the reverse-micelle dimensions are determined. The overall structural effects are small, but the distributions of the molecules within the reverse micelles are shown to be sensitive to the molecular polarity.

  15. Structural formation of huntingtin-like aggregates probed by small-angle neutron scattering

    SciTech Connect

    Stanley, Christopher B; Perevozchikova, Tatiana; Berthelier-Jung, Valerie M

    2011-01-01

    In several neurodegenerative disorders, including Huntington s disease (HD), aspects concerning the earliest of protein structures that form along the aggregation pathway have increasingly gained attention since these particular species are likely to be neurotoxic. We used time-resolved small-angle neutron scattering (SANS) to probe in solution these transient structures formed by peptides having the N-terminal sequence context of mutant huntingtin (Htt) exon 1. We obtained snapshots of the formed aggregates as the kinetic reaction ensued to yield quantitative information on their size and mass. At the early stage, small precursor species with an initial radius of gyration (Rg) of 16.1 5.9 and average mass of a dimer to trimer were monitored. Structural growth was treated as two modes with a transition from three-dimensional early aggregate formation to two-dimensional fibril growth and association. Our SANS results on the internal structure of the mature fibrils demonstrate loose packing with about 1 peptide per 4.75 -sheet repeat distance, which is shown to be quantitatively consistent with a -helix model. This research provides new insights into the structures forming along the pathway of Htt exon 1 aggregation and should assist in determining the role that precursors play in neuronal toxicity.

  16. Characterization of Physically and Chemically Separated Athabasca Asphaltenes Using Small-Angle X-ray Scattering

    SciTech Connect

    Amundaraín Hurtado, Jesús Leonardo; Chodakowski, Martin; Long, Bingwen; Shaw, John M.

    2012-02-07

    Athabasca asphaltenes were characterized using small-angle X-ray scattering (SAXS). Two methods were used to separate asphaltenes from the Athabasca bitumen: namely, chemical separation by precipitation with n-pentane and physical separation by nanofiltration using a zirconia membrane with a 20 nm average pore size. The permeate and chemically separated samples were diluted in 1-methylnaphtalene and n-dodecane prior to SAXS measurements. The temperature and asphaltene concentration ranges were 50-310 C and 1-10.4 wt %, respectively. Model-independent analysis of SAXS data provided the radius of gyration and the scattering coefficients. Model-dependent fits provided size distributions for asphaltenes assuming that they are dense and spherical. Model-independent analysis for physically and chemically separated asphaltenes showed significant differences in nominal size and structure, and the temperature dependence of structural properties. The results challenge the merits of using chemically separated asphaltene properties as a basis for asphaltene property prediction in hydrocarbon resources. While the residuals for model-dependent fits are small, the results are inconsistent with the structural parameters obtained from model-independent analysis.

  17. Pore distributions in nanocrystalline metals from small-angle neutron scattering

    SciTech Connect

    Sanders, P.G.; Weertman, J.R.; Eastman, J.A.

    1998-07-24

    Recent upgrades in inert-gas condensation processing equipment have produced nanocrystalline metal samples with high densities and low-impurity levels. Typical Cu and Pd samples have densities {ge}98% of theoretical and oxygen and hydrogen impurity concentrations {le}0.5 at. %. Lower porosity and impurity levels may make it difficult to produce and maintain samples with the smallest nanocrystalline grain sizes. These improved samples were studied by small-angle neutron scattering (SANS) to determine the volume fraction and size distribution of pores. Excellent correlation was obtained between the total volume fraction of pores and the Archimedes density for Pd, signifying that most of the pores were relatively small and in the detectability range of SANS ({approx}1--100 nm). Nanocrystalline Cu is shown to exhibit a wider pore size distribution. For Pd, the average pore sizes were slightly smaller than the average grain size, while for Cu the pore size and grain size were about the same. Both materials exhibited a trend of increasing pore size with increasing grain size. In terms of processing prerequisites, the principal condition for the production of high-density nanocrystalline Cu is an exceptionally clean synthesis environment, while nanocrystalline Pd requires compaction at elevated temperatures. These differences are the result of Cu having both a lower melting point and a greater susceptibility to contamination by gaseous impurities such as oxygen.

  18. Improving small-angle X-ray scattering data for structural analyses of the RNA world

    PubMed Central

    Rambo, Robert P.; Tainer, John A.

    2010-01-01

    Defining the shape, conformation, or assembly state of an RNA in solution often requires multiple investigative tools ranging from nucleotide analog interference mapping to X-ray crystallography. A key addition to this toolbox is small-angle X-ray scattering (SAXS). SAXS provides direct structural information regarding the size, shape, and flexibility of the particle in solution and has proven powerful for analyses of RNA structures with minimal requirements for sample concentration and volumes. In principle, SAXS can provide reliable data on small and large RNA molecules. In practice, SAXS investigations of RNA samples can show inconsistencies that suggest limitations in the SAXS experimental analyses or problems with the samples. Here, we show through investigations on the SAM-I riboswitch, the Group I intron P4-P6 domain, 30S ribosomal subunit from Sulfolobus solfataricus (30S), brome mosaic virus tRNA-like structure (BMV TLS), Thermotoga maritima asd lysine riboswitch, the recombinant tRNAval, and yeast tRNAphe that many problems with SAXS experiments on RNA samples derive from heterogeneity of the folded RNA. Furthermore, we propose and test a general approach to reducing these sample limitations for accurate SAXS analyses of RNA. Together our method and results show that SAXS with synchrotron radiation has great potential to provide accurate RNA shapes, conformations, and assembly states in solution that inform RNA biological functions in fundamental ways. PMID:20106957

  19. In situ small angle neutron scattering revealing ion sorption in microporous carbon electrical double layer capacitors.

    PubMed

    Boukhalfa, Sofiane; Gordon, Daniel; He, Lilin; Melnichenko, Yuri B; Nitta, Naoki; Magasinski, Alexandre; Yushin, Gleb

    2014-03-25

    Experimental studies showed the impact of the electrolyte solvents on both the ion transport and the specific capacitance of microporous carbons. However, the related structure-property relationships remain largely unclear and the reported results are inconsistent. The details of the interactions of the charged carbon pore walls with electrolyte ions and solvent molecules at a subnanometer scale are still largely unknown. Here for the first time we utilize in situ small angle neutron scattering (SANS) to reveal the electroadsorption of organic electrolyte ions in carbon pores of different sizes. A 1 M solution of tetraethylammonium tetrafluoroborate (TEATFB) salt in deuterated acetonitrile (d-AN) was used in an activated carbon with the pore size distribution similar to that of the carbons used in commercial double layer capacitors. In spite of the incomplete wetting of the smallest carbon pores by the d-AN, we observed enhanced ion sorption in subnanometer pores under the applied potential. Such results suggest the visible impact of electrowetting phenomena counterbalancing the high energy of the carbon/electrolyte interface in small pores. This behavior may explain the characteristic butterfly wing shape of the cyclic voltammetry curve that demonstrates higher specific capacitance at higher applied potentials, when the smallest pores become more accessible to electrolyte. Our study outlines a general methodology for studying various organic salts-solvent-carbon combinations.

  20. Small angle light scattering characterization of single micrometric particles in microfluidic flows

    NASA Astrophysics Data System (ADS)

    Dannhauser, David; Romeo, Giovanni; Causa, Filippo; Netti, Paolo A.

    2013-04-01

    A CCD-camera based small angle light scattering (SALS) apparatus has been used to characterize single micrometric particles flowing in a micro-channel. The measured scattering vector spans the range 2x10-2 - 6:8x101μm-1. The incident laser light is collimated to a spot of about 50 μm in diameter at the sample position with a divergence lower than 0.045 rad. Such small collimated laser beam opens the possibility to perform on-line SALS of micron-sized particles flowing in micro-channels. By properly designing the micro-channel and using a viscoelastic liquid as suspending medium we are able to realize a precise 3D focusing of the target particles. The forward scattering emitted from the particle is collected by a lens with high numerical aperture. At the focal point of that lens a homemade beam stop is blocking the incident light. Finally, a second lens maps the scattered light on the CCD sensor, allowing to obtain far field images on short distances. Measurements with mono-disperse polystyrene particles, both in quiescent and in-flow conditions have been realized. Experiments in-flow allow to measure the single particle scattering. Results are validated by comparison with calculations based on the Lorenz-Mie theory. The quality of the measured intensity profiles confirms the possibility to use our apparatus in real multiplex applications, with particles down to 1 μm in radius.

  1. Study of nanoscale structures in hydrated biomaterials using small-angle neutron scattering

    PubMed Central

    Luk, Arnold; Murthy, N. Sanjeeva; Wang, Wenjie; Rojas, Ramiro; Kohn, Joachim

    2012-01-01

    Distribution of water in three classes of biomedically relevant and degradable polymers was investigated using small-angle neutron scattering. In semicrystalline polymers, such as poly(lactic acid) and poly(glycolic acid), water was found to diffuse preferentially into the noncrystalline regions. In amorphous polymers, such as poly(D,L-lactic acid) and poly(lactic-co-glycolic acid), the scattering after 7-days of incubation was attributed to water in microvoids that form following the hydrolytic degradation of the polymer. In amorphous copolymers containing hydrophobic segments (desaminotyrosyl-tyrosine ethyl ester) and hydrophilic blocks (poly(ethylene glycol) PEG), a sequence of distinct regimes of hydration were observed: homogeneous distribution (~ 10 Å length scales) at <13 wt% PEG (~ 1 water per EG), clusters of hydrated domains (~50 Å radius) separated at 24 wt% PEG (1 to 2 water per EG), uniformly distributed hydrated domains at 41 wt% PEG (~ 4 water per EG), and phase inversion at > 50 wt% PEG ( > 6 water per EG ). Increasing PEG content increased the number of these domains with only a small decrease in distance between the domains. These discrete domains appeared to coalesce to form submicron droplets at ~60 °C, above the melting temperature of crystalline PEG. Significance of such observations on the evolution of μm size channels that form during hydrolytic erosion is discussed. PMID:22227373

  2. Anisotropic In-Plane Conductivity and Dichroic Gold Plasmon Resonance in Plasma-Assisted ITO Thin Films e-Beam-Evaporated at Oblique Angles.

    PubMed

    Parra-Barranco, Julián; García-García, Francisco J; Rico, Víctor; Borrás, Ana; López-Santos, Carmen; Frutos, Fabián; Barranco, Angel; González-Elipe, Agustín R

    2015-05-27

    ITO thin films have been prepared by electron beam evaporation at oblique angles (OA), directly and while assisting their growth with a downstream plasma. The films microstructure, characterized by scanning electron microscopy, atomic force microscopy, and glancing incidence small-angle X-ray scattering, consisted of tilted and separated nanostructures. In the plasma assisted films, the tilting angle decreased and the nanocolumns became associated in the form of bundles along the direction perpendicular to the flux of evaporated material. The annealed films presented different in-depth and sheet resistivity as confirmed by scanning conductivity measurements taken for the individual nanocolumns. In addition, for the plasma-assisted thin films, two different sheet resistance values were determined by measuring along the nanocolumn bundles or the perpendicular to it. This in-plane anisotropy induces the electrochemical deposition of elongated gold nanostructures. The obtained Au-ITO composite thin films were characterized by anisotropic plasmon resonance absorption and a dichroic behavior when examined with linearly polarized light. PMID:25938593

  3. Phase separation and ordering process in Al-Li alloys studied by small-angle neutron scattering and neutron diffraction

    SciTech Connect

    Furusaka, M.; Fujikawa, S.I.; Tranquada, J.M.

    1993-07-01

    To study phase separation kinetics of Al-9.5at.%Li polycrystalline alloys in which precipitates have ordered Al{sub 3}Li ({delta}{prime}) structure, profile analysis of small-angle neutron scattering and superlattice reflections (100) and (110) were done. A small-angle scattering instrument and a triple-axis spectrometer in elastic mode were used in the measurements. Strong texture was observed in the reflections. Therefore, measurements were done using the crystal orientation where the intensity of the reflection was at the maximum. Profiles of small-angle scattering and superlattice reflections were almost identical at higher momentum transfer side. At lower momentum transfer side, small-angle scattering showed interference effects, but superlattice reflection did not show any sign of interference. Integrated intensities of superlattice reflections were obtained and compared with small-angle scattering intensity. The order parameter was not saturated in the {delta}{prime} precipitates at the early stage of the phase separation process.

  4. Primary Open Angle Glaucoma is Associated with MR Biomarkers of Cerebral Small Vessel Disease

    PubMed Central

    Mercieca, Karl; Cain, John; Hansen, Thomas; Steeples, Laura; Watkins, Amy; Spencer, Fiona; Jackson, Alan

    2016-01-01

    This prospective study tests the hypotheses that: 1) glaucoma is associated with evidence of cerebral small vessel disease; 2) that imaging biomarkers of cerebral small vessel disease in POAG and NTG will show different characteristics. 12 normal controls, 7 patients with primary open angle glaucoma (POAG) and 9 patients with normal tension glaucoma (NTG) were recruited. Ophthalmological clinical assessment and MR imaging of the brain were performed. MR imaging was used to quantify white matter lesion load, frequency of dilated perivascular spaces (PVS) and abnormalities in cerebral hydrodynamics. Patients with POAG had significantly greater white matter lesion load (p < 0.05), more PVS in the centrum semiovale (p < 0.05) and had higher overall PVS scores than controls (p < 0.05). In the POAG group, optic cup-to-disc ratio (CDR) was positively correlated with deep white matter hyperintensities (R2 = 0.928, p < 0.01). Mean deviation on the Humphrey visual field assessment was negatively correlated with deep white matter lesion load (R2 = −0.840, p < 0.01), total white matter lesion load (R2 = −0.928, p < 0.01) and total PVS (R2 = −0.820, p < 0.01). MR evidence of cerebral small vessel disease is strongly associated with a diagnosis of POAG and with the severity of abnormalities in CDR and visual field. PMID:26923106

  5. Parameterization of structures in HE composites using surrogate materials: A small angle neutron scattering investigation

    SciTech Connect

    Mang, J.T.; Hjelm, R.P.; Skidmore, C.B.; Howe, P.M.

    1996-07-01

    High explosive materials used in the nuclear stockpile are composites of crystalline high explosives (HE) with binder materials, such as Estane. In such materials, there are naturally occurring density fluctuations (defects) due to cracks, internal (in the HE) and external (in the binder) voids and other artifacts of preparation. Changes in such defects due to material aging can affect the response of explosives due to shock, impact and thermal loading. Modeling efforts are attempting to provide quantitative descriptions of explosive response from the lowest ignition thresholds to the development of full blown detonations and explosions, however, adequate descriptions of these processes require accurate measurements of a number of structural parameters of the HE composite. Since different defects are believed to affect explosive sensitivity in different ways it is necessary to quantitatively differentiate between defect types. The authors report here preliminary results of SANS measurements on surrogates for HE materials. The objective of these measurements was to develop methodologies using SANS techniques to parameterize internal void size distributions in a surrogate material, sugar, to simulate an HE used in the stockpile, HMX. Sugar is a natural choice as a surrogate material, as it has the same crystal structure, has similar intragranular voids and has similar mechanical properties as HMX. It is used extensively as a mock material for explosives. Samples were used with two void size distributions: one with a sufficiently small mean particle size that only small occluded voids are present in significant concentrations, and one where the void sizes could be larger. By using methods in small-angle neutron scattering, they were able to isolate the scattering arising from particle-liquid interfaces and internal voids.

  6. Structural characterization of a polymer substituted fullerene (flagellene) by small angle neutron scattering

    SciTech Connect

    Affholter, K.A.; Bunick, G.J.; Wignall, G.D.; Desimone, J.M.; Hunt, M.O. Jr.; Menceloglu, Y.Z.; Samulski, E.T.

    1994-12-31

    Small-angle neutron scattering (SANS) can structurally characterize fullerenes in solvents with strong SANS contrast (e.g. CS{sub 2}). Deuterated solvents (e.g. toluene-d{sub 8}) have a high scattering length density (SLD), which is close to that of C{sub 60} and C{sub 70} moieties. Hence, there is virtually no SANS contrast with the solvent and these particles are practically ``invisible`` in such media. On the other hand, the negative scattering length of hydrogen means that the SLD of H{sup 1}-containing materials is much lower, so they have strong contrast with toluene-d{sub 8}. Thus, SANS makes it possible to study the size and shapes of modified buckyballs such as the polymer-substituted fullerenes, or flagellenes. These consist of C{sub 60} cores to which 1-4 polystryene chains (with a molecular weight, MW {approx_equal} 2000) are attached. The extrapolated cross section at zero angle of scatter [d{Sigma}/d{Omega}(0)] is a function of the number of pendant chains, so SANS can be used to assess the number of ``arms`` which are covalently attached to the fullerene ``sphere.`` Close agreement ({plus_minus}4%) between measured and calculated values of d{Sigma}/d{Omega}(0) along with independent estimates of the radius of gyration (R{sub g}) and second virial coefficient (A{sub 2}) for a calibration linear polystyrene sample serves as a cross check on the validity of this methodology.

  7. A triple axis double crystal multiple reflection camera for ultra small angle X-ray scattering

    NASA Astrophysics Data System (ADS)

    Lambard, Jacques; Lesieur, Pierre; Zemb, Thomas

    1992-06-01

    To extend the domain of small angle X-ray scattering requires multiple reflection crystals to collimate the beam. A double crystal, triple axis X-ray camera using multiple reflection channel cut crystals is described. Procedures for measuring the desmeared scattering cross-section on absolute scale are described as well as the measurement from several typical samples : fibrils of collagen, 0.3 μm diameter silica spheres, 0.16 μm diameter interacting latex spheres, porous lignite coal, liquid crystals in a surfactant-water system, colloidal crystal of 0.32 μm diameter silica spheres. L'extension du domaine de diffusion des rayons-X vers les petits angles demande l'emploi de cristaux à réflexions multiples pour collimater le faisceau. Nous décrivons une caméra à rayons-X à trois axes où les réflexions multiples sont réalisées dans deux cristaux à gorge. Nous donnons ensuite les procédures de déconvolution pour obtenir la section efficace de diffusion en échelle absolue, ainsi que les résultats des mesures effectuées avec plusieurs échantillons typiques : fibres de collagène, sphères de silice de 0,3 μm de diamètre, sphères de latex de 0,16 μm de diamètre en interaction, charbon lignite poreux, cristaux liquides formés dans un système eau-tensioactif, solution colloïdale de sphères de silice de 0,32 μm de diamètre.

  8. Measurement of lateral diffusion rates in membranes by pulsed magnetic field gradient, magic angle spinning-proton nuclear magnetic resonance.

    PubMed

    Gawrisch, Klaus; Gaede, Holly C

    2007-01-01

    Membrane organization, including the presence of domains, can be characterized by measuring lateral diffusion rates of lipids and membrane-bound substances. Magic angle spinning (MAS) yields well-resolved proton nuclear magnetic resonance (NMR) of lipids in biomembranes. When combined with pulsed-field gradient NMR (rendering what is called "pulsed magnetic field gradients-MAS-NMR"), it permits precise diffusion measurements on the micrometer lengths scale for any substance with reasonably well-resolved proton MAS-NMR resonances, without the need of preparing oriented samples. Sample preparation procedures, the technical requirements for the NMR equipment, and spectrometer settings are described. Additionally, equations for analysis of diffusion data obtained from unoriented samples, and a method for correcting the data for liposome curvature are provided.

  9. PREFACE Proceedings of the XIV International Conference on Small-Angle Scattering, SAS-2009

    NASA Astrophysics Data System (ADS)

    King, Stephen; Terrill, Nicholas

    2010-10-01

    The XIV International Conference on Small-Angle Scattering, SAS-2009, was held in Oxford UK, 13-18 September 2009, and was jointly organised under the auspices of the International Union of Crystallography Commission on SAS by a team from the Diamond Light Source and the ISIS Pulsed Neutron Source - their first such joint venture - with help from the UK Science and Technology Facilities Council. It was the first time that this long running and successful series of conferences on the application, science and technology of small-angle scattering techniques had been staged in the UK. The UK has a proud heritage in small-angle scattering: as home to one of the world's first SANS instruments (at AERE Harwell), as the site of the world's first 2nd generation X-ray Synchrotron (the SRS at Daresbury with its suite of SAXS beamlines), and latterly as the location of the world's most successful pulsed source SANS instrument. Indeed, 2009 also marked the 25th Anniversary of neutron operations at ISIS and the opening of a Second Target Station. Whilst the SRS ceased operations in 2008, its mantle has been inherited by the Diamond synchrotron. Many delegates took the opportunity to visit both Diamond and ISIS during a conference excursion. Despite the prevailing global economic downturn, we were delighted that 434 delegates from 32 different countries were able to attend SAS-2009; two-thirds were drawn from the UK, Germany, Japan, the USA and France, but there were also sizeable contingents from Australia, Korea, Taiwan and South America. In many ways this geographical spread reflects the present and emerging distribution, respectively, of 3rd generation X-ray synchrotrons and high-flux neutron sources, although the scope of the conference was not solely limited to these probes. Financial support from the IUCr enabled us to grant bursaries to attend SAS-2009 to 12 delegates from emerging countries (Algeria, Argentina, Brazil, India, Nepal, Romania, Russia and the Ukraine). The

  10. Small-angle x-ray scattering study of crazing in bulk thermoplastic polymers

    NASA Astrophysics Data System (ADS)

    Salomons, Gregory John

    Crazing is a form of tension-induced deformation consisting of microscopic cracks spanned by load-bearing fibrils. This is generally considered to be the primary source of plastic strain response of rubber-modified thermoplastics subjected to applied tensile stress. An understanding of the mechanisms involved in crazing is, therefore, valuable as a means of identifying structure-property relationships. Extensive studies on single crazes in thin films have been done,sp{1-6} however, experiments on crazing in bulk materials have been fraught with problems, such as difficulties with the production of uniform crazes and accurate temperature control.sp7 A new apparatus has been designed to overcome many of these problems; a symmetric tensile stretching mechanism and a radiant heating technique combined with real-time small-angle x-ray scattering (RTSAXS) is used to examine craze fibril structure. The analysis of small-angle x-ray scattering (SAXS) data is highly model-dependent requiring precise structural models to ensure accurate interpretation. Recently, improved measurement techniques have called into question some aspects of the long accepted models applied to SAXS interpretation of craze structures.sp{8,9} A detailed examination of the models applicable to craze fibril structure is presented here, including a newly proposed model involving power-law density distributions within the fibrils. It is shown that the best description of craze fibrils comes from a Gaussian density distribution. This is in contrast to the traditional models which describe the fibrils as having uniform density with sharp boundaries.sp{1,2} RTSAXS studies of High Impact Polystyrene (HIPS) and Polystyrene (PS) blended with 2 wt.% Polybutadiene (PB) were performed using a constant strain rate of 5 × 10sp{-4} ssp{-1} and temperatures from 30 to 70sp°C. Crazing deformation modes were identified and the macroscopic deformation characteristics for the two materials were compared revealing a

  11. A Cross-Polarization, Magic-Angle-Spinning, 13C-Nuclear-Magnetic-Resonance Study of Polysaccharides in Sugar Beet Cell Walls1

    PubMed Central

    Renard, Catherine M.G.C.; Jarvis, Michael C.

    1999-01-01

    Solid-state nuclear magnetic resonance relaxation experiments were used to study the rigidity and spatial proximity of polymers in sugar beet (Beta vulgaris) cell walls. Proton T1ρ decay and cross-polarization patterns were consistent with the presence of rigid, crystalline cellulose microfibrils with a diameter of approximately 3 nm, mobile pectic galacturonans, and highly mobile arabinans. A direct-polarization, magic-angle-spinning spectrum recorded under conditions adapted to mobile polymers showed only the arabinans, which had a conformation similar to that of beet arabinans in solution. These cell walls contained very small amounts of hemicellulosic polymers such as xyloglucan, xylan, and mannan, and no arabinan or galacturonan fraction closely associated with cellulose microfibrils, as would be expected of hemicelluloses. Cellulose microfibrils in the beet cell walls were stable in the absence of any polysaccharide coating. PMID:10198090

  12. Devices and process for high-pressure magic angle spinning nuclear magnetic resonance

    DOEpatents

    Hoyt, David W; Sears, Jr., Jesse A; Turcu, Romulus V.F.; Rosso, Kevin M; Hu, Jian Zhi

    2014-04-08

    A high-pressure magic angle spinning (MAS) rotor is detailed that includes a high-pressure sample cell that maintains high pressures exceeding 150 bar. The sample cell design minimizes pressure losses due to penetration over an extended period of time.

  13. Multiaxial deformation of polyethylene and polyethylene/clay nanocomposites: In situ synchrotron small angle and wide angle X-ray scattering study

    SciTech Connect

    Gurun, Bilge; Bucknall, David G.; Thio, Yonathan S.; Teoh, Chin Ching; Harkin-Jones, Eileen

    2013-01-10

    A unique in situ multiaxial deformation device has been designed and built specifically for simultaneous synchrotron small angle X-ray scattering (SAXS) and wide angle X-ray scattering (WAXS) measurements. SAXS and WAXS patterns of high-density polyethylene (HDPE) and HDPE/clay nanocomposites were measured in real time during in situ multiaxial deformation at room temperature and at 55 C. It was observed that the morphological evolution of polyethylene is affected by the existence of clay platelets as well as the deformation temperature and strain rate. Martensitic transformation of orthorhombic into monoclinic crystal phases was observed under strain in HDPE, which is delayed and hindered in the presence of clay nanoplatelets. From the SAXS measurements, it was observed that the thickness of the interlamellar amorphous region increased with increasing strain, which is due to elongation of the amorphous chains. The increase in amorphous layer thickness is slightly higher for the nanocomposites compared to the neat polymer.

  14. Research on ship wake detection by optical method of small angle forward scattering

    NASA Astrophysics Data System (ADS)

    Zhu, Donghua; Rao, Jionghui; Zhang, Xiaohui; Sun, ChunSheng

    2008-03-01

    A ship wake in the ocean contains lots of microsize air bubbles with diameter of 10μm~200μm. When a beam of light propagates through the ship wake, it leads to attenuation of the light energy and change of its spatial distribution due to absorption and scattering caused by ocean water and bubble mass together, but they don't share the same scattering mechanism, leaving absorption out of account. Scattering from micro bubbles can usually be explained by Mie scattering theory. In this paper, a method based on optical scattering theory is proposed for detecting the target of ship wake in the ocean, and an experimental system is built up according to the Lambert-Beer law. In the experiment, a semiconductor laser with wavelength about 532nm was employed as the light source, an experimental device which modeled the target of a ship wake to generate bubble mass in water, and a high-speed PIN photodiode as the detector. Besides, the optical receiving system included a set of optical lens and apertures, which were employed to limit the field of view(FOV) of the receiver detector. After measurement of the small angle forward scattering rays scattered from bubble mass with a small FOV, the target signals was got and processed. Then adjustments were made to the optical receiving system and experiments were implemented with varying the FOV to find out the influence of FOV on target signal SNR and obtain the optimum FOV. The results showed that adjusting the FOV according to different microbubble size density could improve SNR.

  15. SCT: a suite of programs for comparing atomistic models with small-angle scattering data

    PubMed Central

    Wright, David W.; Perkins, Stephen J.

    2015-01-01

    Small-angle X-ray and neutron scattering techniques characterize proteins in solution and complement high-resolution structural studies. They are of particular utility when large proteins cannot be crystallized or when the structure is altered by solution conditions. Atomistic models of the averaged structure can be generated through constrained modelling, a technique in which known domain or subunit structures are combined with linker models to produce candidate global conformations. By randomizing the configuration adopted by the different elements of the model, thousands of candidate structures are produced. Next, theoretical scattering curves are generated for each model for trial-and-error fits to the experimental data. From these, a small family of best-fit models is identified. In order to facilitate both the computation of theoretical scattering curves from atomistic models and their comparison with experiment, the SCT suite of tools was developed. SCT also includes programs that provide sequence-based estimates of protein volume (either incorporating hydration or not) and add a hydration layer to models for X-ray scattering modelling. The original SCT software, written in Fortran, resulted in the first atomistic scattering structures to be deposited in the Protein Data Bank, and 77 structures for antibodies, complement proteins and anionic oligosaccharides were determined between 1998 and 2014. For the first time, this software is publicly available, alongside an easier-to-use reimplementation of the same algorithms in Python. Both versions of SCT have been released as open-source software under the Apache 2 license and are available for download from https://github.com/dww100/sct. PMID:26089768

  16. Nano-Scale Morphology of Melanosomes Revealed by Small-Angle X-Ray Scattering

    PubMed Central

    Gorniak, Thomas; Haraszti, Tamas; Garamus, Vasyl M.; Buck, Andreas R.; Senkbeil, Tobias; Priebe, Marius; Hedberg-Buenz, Adam; Koehn, Demelza; Salditt, Tim; Grunze, Michael; Anderson, Michael G.; Rosenhahn, Axel

    2014-01-01

    Melanosomes are highly specialized organelles that produce and store the pigment melanin, thereby fulfilling essential functions within their host organism. Besides having obvious cosmetic consequences – determining the color of skin, hair and the iris – they contribute to photochemical protection from ultraviolet radiation, as well as to vision (by defining how much light enters the eye). Though melanosomes can be beneficial for health, abnormalities in their structure can lead to adverse effects. Knowledge of their ultrastructure will be crucial to gaining insight into the mechanisms that ultimately lead to melanosome-related diseases. However, due to their small size and electron-dense content, physiologically intact melanosomes are recalcitrant to study by common imaging techniques such as light and transmission electron microscopy. In contrast, X-ray-based methodologies offer both high spatial resolution and powerful penetrating capabilities, and thus are well suited to study the ultrastructure of electron-dense organelles in their natural, hydrated form. Here, we report on the application of small-angle X-ray scattering – a method effective in determining the three-dimensional structures of biomolecules – to whole, hydrated murine melanosomes. The use of complementary information from the scattering signal of a large ensemble of suspended organelles and from single, vitrified specimens revealed a melanosomal sub-structure whose surface and bulk properties differ in two commonly used inbred strains of laboratory mice. Whereas melanosomes in C57BL/6J mice have a well-defined surface and are densely packed with 40-nm units, their counterparts in DBA/2J mice feature a rough surface, are more granular and consist of 60-nm building blocks. The fact that these strains have different coat colors and distinct susceptibilities to pigment-related eye disease suggest that these differences in size and packing are of biological significance. PMID:24621581

  17. Small Angle Neutron-Scattering Studies of the Core Structure of Intact Neurosecretory Vesicles.

    NASA Astrophysics Data System (ADS)

    Krueger, Susan Takacs

    Small angle neutron scattering (SANS) was used to study the state of the dense cores within intact neurosecretory vesicles. These vesicles transport the neurophysin proteins, along with their associated hormones, oxytocin or vasopressin, from the posterior pituitary gland to the bloodstream, where the entire vesicle contents are released. Knowledge of the vesicle core structure is important in developing an understanding of this release mechanism. Since the core constituents exist in a dense state at concentrations which cannot be reproduced (in solution) in the laboratory, a new method was developed to determine the core structure from SANS experiments performed on intact neurosecretory vesicles. These studies were complemented by biochemical assays performed to determine the role, if any, played by phospholipids in the interactions between the core constituents. H_2O/D_2 O ratio in the solvent can be adjusted, using the method of contrast variation, such that the scattering due to the vesicle membranes is minimized, thus emphasizing the scattering originating from the cores. The applicability of this method for examining the interior of biological vesicles was tested by performing an initial study on human red blood cells, which are similar in structure to other biological vesicles. Changes in intermolecular hemoglobin interactions, occurring when the ionic strength of the solvent was varied or when the cells were deoxygenated, were examined. The results agreed with those expected for dense protein solutions, indicating that the method developed was suitable for the study of hemoglobin within the cells. Similar SANS studies were then performed on intact neurosecretory vesicles. The experimental results were inconsistent with model calculations which assumed that the cores consisted of small, densely-packed particles or large, globular aggregates. Although a unique model could not be determined, the data suggest that the core constituents form long aggregates of

  18. Droplet sensing using small and compact high-Q planar resonator based on impedance matching technique

    NASA Astrophysics Data System (ADS)

    Lee, Hee-Jo; Yook, Jong-Gwan

    2016-09-01

    In this paper, we demonstrate the sensing feasibility of the proposed high-Q resonator using a phosphate-buffered saline droplet at microwave frequencies. In the experimental results, the resonant frequency, signal level, and Q-factor of the S21-parameter with and without a 1-μl droplet were changed to about 230 MHz, 32 dB, and 1500, respectively. The resonator system was found to be suitable for droplet sensing with a small volume due to its small and compact scheme. This resonator system is expected to play an important role in droplet sensing with different dielectric constants.

  19. Small-angle Neutron Scattering and Contrast Variation: A Powerful Combination for Studying Biological Structures

    SciTech Connect

    Heller, William T

    2010-01-01

    The use of small-angle scattering (SAS) in the biological sciences continues to increase, driven as much by the need to study increasingly complex systems that are often resistant to crystallization or are too large for NMR as by the availability of user facilities and advancements in the modelling of biological structures from SAS data. SAS, whether with neutrons (SANS) or X-rays (SAXS), is a structural probe of length scales ranging from 10 to 10,000 {angstrom}. When applied to biological complexes in dilute solution, it provides size and shape information that can be used to produce structural models that can provide insight into function. SANS enables the use of contrast-variation methods through the unique interaction of neutrons with hydrogen and its isotope deuterium. SANS with contrast variation enables the visualization of components within multisubunit complexes, making it a powerful tool for probing protein-protein and protein-nucleic acid complexes, as well as the interaction of proteins with lipids and detergents.

  20. Comparative analysis of the nucleosome structure of cell nuclei by small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Isaev-Ivanov, V. V.; Lebedev, D. V.; Lauter, H.; Pantina, R. A.; Kuklin, A. I.; Islamov, A. Kh.; Filatov, M. V.

    2010-05-01

    The nucleosome structure in native nuclei of normal (chicken erythrocyte and rat leukocyte nuclei) and anomalously proliferating (the human cervical adenocarcinoma cell line HeLa and the Chinese hamster fibroblast cell line A238) cells has been investigated using small-angle neutron scattering. The experimental results obtained allow one to make the inference that the parameters of the nucleosome structure for the chicken erythrocyte and rat leukocyte nuclei (on average over the nucleus) are close to the universally accepted values and that the distance distribution function is bimodal. The bimodality of the distance distribution function reflects a narrow distribution of distances between nucleosomes (on average over the nucleus) at the fibril level of the chromatin organization. The histone core of the nucleosome structure in the nuclei of the HeLa and A238 cells (on average over the nucleus) is considerably less compact than that in the chicken erythrocyte and rat leukocyte nuclei, and the distance distribution function does not exhibit indications of the bimodality.

  1. Collagen Orientation and Crystallite Size in Human Dentin: A Small Angle X-ray Scattering Study

    SciTech Connect

    Pople, John A.

    2001-03-29

    The mechanical properties of dentin are largely determined by the intertubular dentin matrix, which is a complex composite of type I collagen fibers and a carbonate-rich apatite mineral phase. The authors perform a small angle x-ray scattering (SAXS) study on fully mineralized human dentin to quantify this fiber/mineral composite architecture from the nanoscopic through continuum length scales. The SAXS results were consistent with nucleation and growth of the apatite phase within periodic gaps in the collagen fibers. These mineralized fibers were perpendicular to the dentinal tubules and parallel with the mineralization growth front. Within the plane of the mineralization front, the mineralized collagen fibers were isotropic near the pulp, but became mildly anisotropic in the mid-dentin. Analysis of the data also indicated that near the pulp the mineral crystallites were approximately needle-like, and progressed to a more plate-like shape near the dentino-enamel junction. The thickness of these crystallites, {approx} 5 nm, did not vary significantly with position in the tooth. These results were considered within the context of dentinogenesis and maturation.

  2. Structural modeling of proteins by integrating small-angle x-ray scattering data

    NASA Astrophysics Data System (ADS)

    Zhang, Yong-Hui; Peng, Jun-Hui; Zhang, Zhi-Yong

    2015-12-01

    Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an “integrative structural biology” approach has been proposed, which aims to determine the protein structure and characterize protein flexibility by combining complementary high- and low-resolution experimental data using computer simulations. Small-angle x-ray scattering (SAXS) is an efficient technique that can yield low-resolution structural information, including protein size and shape. Here, we review computational methods that integrate SAXS with other experimental datasets for structural modeling. Finally, we provide a case study of determination of the structure of a protein complex formed between the tandem SH3 domains in c-Cb1-associated protein and the proline-rich loop in human vinculin. Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB910203 and 2011CB911104), the National Natural Science Foundation of China (Grant No. 31270760), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB08030102), and the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20113402120013).

  3. Using Small Angle Neutron Scattering on Glucose Oxidase immobilized on Single Layer Graphene

    NASA Astrophysics Data System (ADS)

    Rai, Durgesh; Gurusaran, M.; Qian, S.; Weiss, K.; Urban, V.; Li, P.; Ma, L.; Ajayan, P.; Narayanan, T.; Sekar, K.; Viswanathan, S.; Renugopalakrishanan, V.

    2015-03-01

    Reliable blood glucose monitoring using biosensors is valuable for health evaluations and medication in wake of chronic diabetic issues accompanying deviations from evolutionary human lifestyle. Glucose oxidase (GOx) is an ideal enzyme because of its specificity and the ability to electrochemically transduce from the enzymatic reaction. We use graphene-based electrode with GOx sensor matrix so that the emitted electrons from sensor matrix can flow across graphene nearly without scattering; crucial for constructing ultrasensitive-sensors. Thereafter, establishing a structure-property based relationships to tune the sensor topology with electrochemically output forms the main focus of the device development process. We have developed a methodology to obtain low-resolution hierarchical models of the aggregate matrix using Small Angle Neutron Scattering (SANS) technique. A Unified Fit model is used in tandem with GNOM, DAMMIN and DAMAVER to construct low-resolution models for GOx matrices. A detailed explanation of a general methodology for obtaining quantitative details aggregate structures along with qualitative models will be presented.

  4. Interactive graphical system for small-angle scattering analysis of polydisperse systems

    NASA Astrophysics Data System (ADS)

    Konarev, P. V.; Volkov, V. V.; Svergun, D. I.

    2016-09-01

    A program suite for one-dimensional small-angle scattering analysis of polydisperse systems and multiple data sets is presented. The main program, POLYSAS, has a menu-driven graphical user interface calling computational modules from ATSAS package to perform data treatment and analysis. The graphical menu interface allows one to process multiple (time, concentration or temperature-dependent) data sets and interactively change the parameters for the data modelling using sliders. The graphical representation of the data is done via the Winteracter-based program SASPLOT. The package is designed for the analysis of polydisperse systems and mixtures, and permits one to obtain size distributions and evaluate the volume fractions of the components using linear and non-linear fitting algorithms as well as model-independent singular value decomposition. The use of the POLYSAS package is illustrated by the recent examples of its application to study concentration-dependent oligomeric states of proteins and time kinetics of polymer micelles for anticancer drug delivery.

  5. Ensemble Activation of G-Protein -Coupled Receptors Revealed by Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Chu, Xiang-Qiang; Perera, Suchithranga; Shrestha, Utsab; Chawla, Udeep; Struts, Andrey; Qian, Shuo; Brown, Michael

    2014-03-01

    Rhodopsin is a G-protein -coupled receptor (GPCR) involved in visual light perception and occurs naturally in a membrane lipid environment. Rhodopsin photoactivation yields cis-trans isomerization of retinal giving equilibrium between inactive Meta-I and active Meta-II states. Does photoactivation lead to a single Meta-II conformation, or do substates exist as described by an ensemble-activation mechanism (EAM)? We use small-angle neutron scattering (SANS) to investigate conformational changes in rhodopsin-detergent and rhodopsin-lipid complexes upon photoactivation. Meta-I state is stabilized in CHAPS-solubilized rhodopsin, while Meta-II is trapped in DDM-solubilized rhodopsin. SANS data are acquired from 80% D2O solutions and at contrast-matching points for both DDM and CHAPS samples. Our experiments demonstrate that for detergent-solubilized rhodopsin, SANS with contrast variation can detect structural differences between the rhodopsin dark-state, Meta-I, Meta-II, and ligand-free opsin states. Dark-state rhodopsin has more conformational flexibility in DDM micelles compared to CHAPS, which is consistent with an ensemble of activated Meta-II states. Furthermore, time-resolved SANS enables study of the time-dependent structural transitions between Meta-I and Meta-II, which is crucial to understanding the ensemble-based activation.

  6. Density of hydrophobically confined deeply cooled water investigated by small angle X-ray scattering

    SciTech Connect

    Liu, Kao-Hsiang; Zhang, Yang; Jeng, U-Ser; Mou, Chung-Yuan

    2015-09-07

    Water’s behavior near hydrophobic surfaces has attracted great attention due to chemical and geological applications. Here, we report small angle X-ray scattering (SAXS) studies of water confined in the hydrophobic nanoporous carbon material, CMK-1-14, from ambient to deeply cooled temperatures. By monitoring the scattering intensity of the first Bragg peak, which is directly related to the scattering length density contrast between the carbon matrix and the confined water, the average density of the hydrophobically confined water was determined from 300 K to 150 K at ambient pressure. Furthermore, differential scanning calorimetry and X-ray diffraction measurements showed that the majority of such hydrophobically confined water did not crystallize in the investigated temperature range. By exploiting the fast speed of SAXS measurements and the continuous temperature ramping, the average density profile and the deduced thermal expansion coefficient (α{sub p}) were obtained. We found that the well-known density maximum of water at 277 K downshifted to 260 K, and the density minimum which has been observed in hydrophilic confinement disappeared. In addition, the previously measured large density decreasing of 18% at low temperature was recalibrated to a more reasonable 10% instead. Consequently, the recalculated α{sub p} peak was found to be quite similar to that of the water confined in hydrophilic MCM-41-S-15 suggesting an intrinsic property of water, which does not sensitively depend on the confinement surface.

  7. Structural Studies of Bleached Melanin by Synchrotron Small-angle X-ray Scattering¶

    SciTech Connect

    Littrell, Kenneth C.; Gallas, James M.; Zajac, Gerry W.; Thiyagarajan, Pappannan

    2003-01-01

    Small-angle X-ray scattering was used to measure the effects of chemical bleaching on the size and morphology of tyrosine-derived synthetic melanin dispersed in aqueous media. The average size as measured by the radius of gyration of the melanin particles in solution, at neutral to mildly basic pH, decreases from 16.5 to 12.5 angstroms with increased bleaching. The melanin particles exhibit scattering characteristic of sheet-like structures with a thickness of approximately 11 angstroms at all but the highest levels of bleaching. The scattering data are well described by the form factor for scattering from a pancake-like circular cylinder. These data are consistent with the hypothesis that unbleached melanin, at neutral to mildly basic pH, is a planar aggregate of 6- to 10-nm-sized melanin protomolecules, hydrogen bonded through their quinone and phenolic perimeters. The observed decrease in melanin particle size with increased bleaching is interpreted as evidence for deaggregation, most probably the result of oxidative disruption of hydrogen bonds and an increase in the number of charged, carboxylic acid groups, whereby the melanin aggregates disassociate into units composed of decreasing numbers of protomolecules.

  8. Preliminary analysis of the distribution of water in human hair by small-angle neutron scattering.

    PubMed

    Kamath, Yash; Murthy, N Sanjeeva; Ramaprasad, Ram

    2014-01-01

    Diffusion and distribution of water in hair can reveal the internal structure of hair that determines the penetration of various products used to treat hair. The distribution of water into different morphological components in unmodified hair, cuticle-free hair, and hair saturated with oil at various levels of humidity was examined using small-angle neutron scattering (SANS) by substituting water with deuterium oxide (D(2)O). Infrared spectroscopy was used to follow hydrogen-deuterium exchange. Water present in hair gives basically two types of responses in SANS: (i) interference patterns, and (ii) central diffuse scattering (CDS) around the beam stop. The amount of water in the matrix between the intermediate filaments that gives rise to interference patterns remained essentially constant over the 50-98% humidity range without swelling this region of the fiber extensively. This observation suggests that a significant fraction of water in the hair, which contributes to the CDS, is likely located in a different morphological region of hair that is more like pores in a fibrous structure, which leads to significant additional swelling of the fiber. Comparison of the scattering of hair treated with oil shows that soybean oil, which diffuses less into hair, allows more water into hair than coconut oil. These preliminary results illustrate the utility of SANS for evaluating and understanding the diffusion of deuterated liquids into different morphological structures in hair.

  9. Measuring Material Microstructure Under Flow Using 1-2 Plane Flow-Small Angle Neutron Scattering

    PubMed Central

    Gurnon, A. Kate; Godfrin, P. Douglas; Wagner, Norman J.; Eberle, Aaron P. R.; Butler, Paul; Porcar, Lionel

    2014-01-01

    A new small-angle neutron scattering (SANS) sample environment optimized for studying the microstructure of complex fluids under simple shear flow is presented. The SANS shear cell consists of a concentric cylinder Couette geometry that is sealed and rotating about a horizontal axis so that the vorticity direction of the flow field is aligned with the neutron beam enabling scattering from the 1-2 plane of shear (velocity-velocity gradient, respectively). This approach is an advance over previous shear cell sample environments as there is a strong coupling between the bulk rheology and microstructural features in the 1-2 plane of shear. Flow-instabilities, such as shear banding, can also be studied by spatially resolved measurements. This is accomplished in this sample environment by using a narrow aperture for the neutron beam and scanning along the velocity gradient direction. Time resolved experiments, such as flow start-ups and large amplitude oscillatory shear flow are also possible by synchronization of the shear motion and time-resolved detection of scattered neutrons. Representative results using the methods outlined here demonstrate the useful nature of spatial resolution for measuring the microstructure of a wormlike micelle solution that exhibits shear banding, a phenomenon that can only be investigated by resolving the structure along the velocity gradient direction. Finally, potential improvements to the current design are discussed along with suggestions for supplementary experiments as motivation for future experiments on a broad range of complex fluids in a variety of shear motions. PMID:24561395

  10. Location of two antioxidants in oriented model membranes. Small-angle x-ray diffraction study.

    PubMed Central

    Katsaras, J; Stinson, R H; Davis, J H; Kendall, E J

    1991-01-01

    Small-angle x-ray diffraction has been applied in locating either butylated hydroxytoluene (BHT) or delta-tocopherol and their brominated analogues at a concentration of 40 mol% in oriented bilayers of dipalmitoylphosphatidylcholine (DPPC) or DPPC + 15 mol% cholesterol at 20 degrees C. Phases were determined using swelling experiments with structure factors plotted in reciprocal space, creating a relatively smooth curve as the amount of water between the bilayers was changed. Continuous Fourier transforms were also calculated using sampling theory (Shannon, C. E. 1949. Proc. Inst. Radio Engrs. NY. 37:10-21) to further test the consistency of the phase assignments. Fourier synthesis of structure factors resulted in absolute electron density profiles for different bilayers to a resolution of 5-6 A. In addition, difference Patterson maps were constructed to confirm the positions of the bromine atoms in the unit cell. Analysis of the data indicates the following: (a) The BHT molecules are dispersed throughout the alkyl-chain region in DPPC samples with and without cholesterol. (b) The chromanol ring of delta-tocopherol is in the vicinity of the glycerol backbone-headgroup region in samples of DPPC or DPPC + 15 mol% cholesterol. (c) Difference Patterson maps confirm the localization of bromine atoms in the various delta-tocopherol samples and lack of bromine localization in the various BHT samples. PMID:2049525

  11. Small-Angle Neutron Scattering by the Magnetic Microstructure of Nanocrystalline Ferromagnets Near Saturation

    PubMed Central

    Weissmüller, J.; McMichael, R. D.; Michels, A.; Shull, R. D.

    1999-01-01

    The paper presents a theoretical analysis of elastic magnetic small-angle neutron scattering (SANS) due to the nonuniform magnetic microstructure in nanocrystalline ferromagnets. The reaction of the magnetization to the magnetocrystalline and magnetoelastic anisotropy fields is derived using the theory of micromagnetics. In the limit where the scattering volume is a single magnetic domain, and the magnetization is nearly aligned with the direction of the magnetic field, closed form solutions are given for the differential scattering cross-section as a function of the scattering vector and of the magnetic field. These expressions involve an anisotropy field scattering function, that depends only on the Fourier components of the anisotropy field microstructure, not on the applied field, and a micromagnetic response function for SANS, that can be computed from tabulated values of the materials parameters saturation magnetization and exchange stiffness constant or spin wave stiffness constant. Based on these results, it is suggested that the anisotropy field scattering function SH can be extracted from experimental SANS data. A sum rule for SH suggests measurement of the volumetric mean square anisotropy field. When magnetocrystalline anisotropy is dominant, then a mean grain size or the grain size distribution may be determined by analysis of SH.

  12. Synchrotron Small-Angle X-ray Scattering Study of Cross-Linked Polymeric Micelles.

    PubMed

    Kim, Hyun-Chul; Jin, Kyeong Sik; Lee, Se Guen; Kim, Eunjoo; Lee, Sung Jun; Jeong, Sang Won; Lee, Seung Woo; Kim, Kwang-Woo

    2016-06-01

    Polymeric micelles of methoxypoly(ethylene glycol)-b-poly(lactide) containing lysine units (mPEG-PLA-Lys4) were cross-linked by reacting of lysine moieties with a bifunctional bis(N-hydroxy-succinimide ester). The micelles were characterized in aqueous solution using dynamic light scattering, transmission electron microscopy, and synchrotron small-angle X-ray scattering. The mPEG-PLA-Lys4 was synthesized through the ring-opening polymerization of N6-carbobenzyloxy-L-lysine N-carboxyanhydride with amine-terminated mPEG-PLA and subsequent deprotection. The polymeric micelles showed enhanced micelle stability after cross-linking, which was confirmed by adding sodium dodecyl sulfate as a destabilizing agent. The average diameters measured via dynamic light scattering were 19.1 nm and 29.2 nm for non-cross-linked polymeric micelles (NCPMs) and cross-linked polymeric micelles (CPMs), respectively. The transmission electron microscopy images showed that the size of the polymeric micelles increased slightly due to cross-linking, which was in good agreement with the DLS measurements. The overall structures and internal structural changes of NCPMs and CPMs in aqueous solution were studied in detail using synchrotron X-ray scattering method. According to the structural parameters of X-ray scattering analysis, CPMs with a more densely packed core structure were formed by reacting bifunctional cross-linking agents with lysine amino groups located in the innermost core of the polymeric micelles. PMID:27427731

  13. Scanning of Adsorption Hysteresis In Situ with Small Angle X-Ray Scattering

    PubMed Central

    Mitropoulos, Athanasios Ch.; Favvas, Evangelos P.; Stefanopoulos, Konstantinos L.; Vansant, Etienne F.

    2016-01-01

    Everett’s theorem-6 of the domain theory was examined by conducting adsorption in situ with small angle x-ray scattering (SAXS) supplemented by the contrast matching technique. The study focuses on the spectrum differences of a point to which the system arrives from different scanning paths. It is noted that according to this theorem at a common point the system has similar macroscopic properties. Furthermore it was examined the memory string of the system. We concluded that opposite to theorem-6: a) at a common point the system can reach in a finite (not an infinite) number of ways, b) a correction for the thickness of the adsorbed film prior to capillary condensation is necessary, and c) the scattering curves although at high-Q values coincide, at low-Q values are different indicating different microscopic states. That is, at a common point the system holds different metastable states sustained by hysteresis effects. These metastable states are the ones which highlight the way of a system back to a return point memory (RPM). Entering the hysteresis loop from different RPMs different histories are implanted to the paths toward the common point. Although in general the memory points refer to relaxation phenomena, they also constitute a characteristic feature of capillary condensation. Analogies of the no-passing rule and the adiabaticity assumption in the frame of adsorption hysteresis are discussed. PMID:27741263

  14. Using Small-Angle Neutron Scattering to Detect Nanoscopic Lipid Domains

    SciTech Connect

    Pan, Jianjun; Heberle, Frederick A; Petruzielo, Robin S; Katsaras, John

    2013-01-01

    The cell plasma membrane is a complex system, which is thought to be capable of exhibiting non-random lateral organization. Studies of live cells and model membranes have yielded mechanisms responsible for the formation, growth, and maintenance of nanoscopic heterogeneities, although the existence and mechanisms that give rise to these heterogeneities remain controversial. Small-angle neutron scattering (SANS) is a tool ideally suited to interrogate lateral heterogeneity in model membranes, primarily due to its unique spatial resolution (i.e., "5 100 nm) and its ability to resolve structure with minimal perturbation to the membrane. In this review we examine several methods used to analyze the SANS signal arising from freely suspended unilamellar vesicles containing lateral heterogeneity. Specifically, we discuss an analytical model for a single, round domain on a spherical vesicle. We then discuss a numerical method that uses Monte Carlo simulation to describe systems with multiple domains and/or more complicated morphologies. Also discussed are several model-independent approaches that are sensitive to membrane heterogeneity. The review concludes with several recent applications of SANS to the study of membrane raft mixtures.

  15. Small angle neutron scattering contrast variation reveals heterogeneities of interactions in protein gels.

    PubMed

    Banc, A; Charbonneau, C; Dahesh, M; Appavou, M-S; Fu, Z; Morel, M-H; Ramos, L

    2016-06-28

    We propose a quantitative approach to probe the spatial heterogeneities of interactions in macromolecular gels, based on a combination of small angle X-ray (SAXS) and neutrons (SANS) scattering. We investigate the structure of model gluten protein gels and show that the gels display radically different SAXS and SANS profiles when the solvent is (at least partially) deuterated. The detailed analysis of the SANS signal as a function of the solvent deuteration demonstrates heterogeneities of sample deuteration at different length scales. The progressive exchange between the protons (H) of the proteins and the deuteriums (D) of the solvent is inhomogeneous and 60 nm large zones that are enriched in H are evidenced. In addition, at low protein concentration, in the sol state, solvent deuteration induces a liquid/liquid phase separation. Complementary biochemical and structure analyses show that the denser protein phase is more protonated and specifically enriched in glutenin, the polymeric fraction of gluten proteins. These findings suggest that the presence of H-rich zones in gluten gels would arise from the preferential interaction of glutenin polymers through a tight network of non-exchangeable intermolecular hydrogen bonds. PMID:27198847

  16. Survey of background scattering from materials found in small-angle neutron scattering

    PubMed Central

    Barker, J. G.; Mildner, D. F. R.

    2015-01-01

    Measurements and calculations of beam attenuation and background scattering for common materials placed in a neutron beam are presented over the temperature range of 300–700 K. Time-of-flight (TOF) measurements have also been made, to determine the fraction of the background that is either inelastic or quasi-elastic scattering as measured with a 3He detector. Other background sources considered include double Bragg diffraction from windows or samples, scattering from gases, and phonon scattering from solids. Background from the residual air in detector vacuum vessels and scattering from the 3He detector dome are presented. The thickness dependence of the multiple scattering correction for forward scattering from water is calculated. Inelastic phonon background scattering at small angles for crystalline solids is both modeled and compared with measurements. Methods of maximizing the signal-to-noise ratio by material selection, choice of sample thickness and wavelength, removal of inelastic background by TOF or Be filters, and removal of spin-flip scattering with polarized beam analysis are discussed. PMID:26306088

  17. Deterministic fractals: extracting additional information from small-angle scattering data.

    PubMed

    Cherny, A Yu; Anitas, E M; Osipov, V A; Kuklin, A I

    2011-09-01

    The small-angle scattering curves of deterministic mass fractals are studied and analyzed in momentum space. In the fractal region, the curve I(q)q(D) is found to be log-periodic with good accuracy, and the period is equal to the scaling factor of the fractal. Here, D and I(q) are the fractal dimension and the scattering intensity, respectively. The number of periods of this curve coincides with the number of fractal iterations. We show that the log-periodicity of I(q)q(D) in the momentum space is related to the log-periodicity of the quantity g(r)r(3-D) in the real space, where g(r) is the pair distribution function. The minima and maxima positions of the scattering intensity are estimated explicitly by relating them to the pair distance distribution in real space. It is shown that the minima and maxima are damped with increasing polydispersity of the fractal sets; however, they remain quite pronounced even at sufficiently large values of polydispersity. A generalized self-similar Vicsek fractal with controllable fractal dimension is introduced, and its scattering properties are studied to illustrate the above findings. In contrast with the usual methods, the present analysis allows us to obtain not only the fractal dimension and the edges of the fractal region, but also the fractal iteration number, the scaling factor, and the number of structural units from which the fractal is composed.

  18. Synchrotron-based small-angle X-ray scattering (SAXS) of proteins in solution

    PubMed Central

    Skou, Soren; Gillilan, Richard E

    2015-01-01

    Summary With recent advances in data analysis algorithms, X-ray detectors, and synchrotron sources, small-angle X-ray scattering (SAXS) has become much more accessible to the structural biology community than ever before. Although limited to ~10 Å resolution, SAXS can provide a wealth of structural information on biomolecules in solution and is compatible with a wide range of experimental conditions. SAXS is thus an attractive alternative when crystallography is not possible. Moreover, advanced usage of SAXS can provide unique insight into biomolecular behavior that can only be observed in solution, such as large conformational changes and transient protein-protein interactions. Unlike crystal diffraction data, however, solution scattering data are subtle in appearance, highly sensitive to sample quality and experimental errors, and easily misinterpreted. In addition, synchrotron beamlines that are dedicated to SAXS are often unfamiliar to the non-specialist. Here, we present a series of procedures that can be used for SAXS data collection and basic cross-checks designed to detect and avoid aggregation, concentration effects, radiation damage, buffer mismatch, and other common problems. The protein, human serum albumin (HSA), serves as a convenient and easily replicated example of just how subtle these problems can sometimes be, but also of how proper technique can yield pristine data even in problematic cases. Because typical data collection times at a synchrotron are only one to several days, we recommend that the sample purity, homogeneity, and solubility be extensively optimized prior to the experiment. PMID:24967622

  19. Density of hydrophobically confined deeply cooled water investigated by small angle X-ray scattering

    SciTech Connect

    Liu, Kao-Hsiang; Zhang, Yang; Jeng, U-Ser; Mou, Chung-Yuan

    2015-09-07

    The behavior of water near hydrophobic surfaces has attracted great attention due to chemical and geological applications. Here, we report small angle X-ray scattering (SAXS) studies of water confined in the hydrophobic nanoporous carbon material, CMK-1-14, from ambient to deeply cooled temperatures. Moreover, by monitoring the scattering intensity of the first Bragg peak, which is directly related to the scattering length density contrast between the carbon matrix and the confined water, the average density of the hydrophobically confined water was determined from 300 K to 150 K at ambient pressure. Furthermore, differential scanning calorimetry and X-ray diffraction measurements showed that the majority of such hydrophobically confined water did not crystallize in the investigated temperature range. By exploiting the fast speed of SAXS measurements and the continuous temperature ramping, the average density profile and the deduced thermal expansion coefficient (alpha(p)) were obtained. We found that the well-known density maximum of water at 277 K downshifted to 260 K, and the density minimum which has been observed in hydrophilic confinement disappeared. Additionally, the previously measured large density decreasing of 18% at low temperature was recalibrated to a more reasonable 10% instead. Consequently, the recalculated ap peak was found to be quite similar to that of the water confined in hydrophilic MCM-41-S-15 suggesting an intrinsic property of water, which does not sensitively depend on the confinement surface.

  20. Density of hydrophobically confined deeply cooled water investigated by small angle X-ray scattering

    DOE PAGES

    Liu, Kao-Hsiang; Zhang, Yang; Jeng, U-Ser; Mou, Chung-Yuan

    2015-09-07

    The behavior of water near hydrophobic surfaces has attracted great attention due to chemical and geological applications. Here, we report small angle X-ray scattering (SAXS) studies of water confined in the hydrophobic nanoporous carbon material, CMK-1-14, from ambient to deeply cooled temperatures. Moreover, by monitoring the scattering intensity of the first Bragg peak, which is directly related to the scattering length density contrast between the carbon matrix and the confined water, the average density of the hydrophobically confined water was determined from 300 K to 150 K at ambient pressure. Furthermore, differential scanning calorimetry and X-ray diffraction measurements showed thatmore » the majority of such hydrophobically confined water did not crystallize in the investigated temperature range. By exploiting the fast speed of SAXS measurements and the continuous temperature ramping, the average density profile and the deduced thermal expansion coefficient (alpha(p)) were obtained. We found that the well-known density maximum of water at 277 K downshifted to 260 K, and the density minimum which has been observed in hydrophilic confinement disappeared. Additionally, the previously measured large density decreasing of 18% at low temperature was recalibrated to a more reasonable 10% instead. Consequently, the recalculated ap peak was found to be quite similar to that of the water confined in hydrophilic MCM-41-S-15 suggesting an intrinsic property of water, which does not sensitively depend on the confinement surface.« less

  1. Solution Properties of 1,3-Cyclohexadiene Polymers by Small Angle Neutron and Light Scattering

    SciTech Connect

    Yun, Seok I; Melnichenko, Yuri B; Wignall, George D; Hong, Kunlun; Mays, Jimmy; Britt, Phillip F; Terao, Ken; Nakamura, Yo

    2006-01-01

    1,3-Cyclohexdiene polymers (PCHD) and their derivatives are of interest due to the six-member rings in the main chain, which are expected to impart higher mechanical strength and better thermal and chemical stability, as compared to common vinyl polymers. For example, hydrogenated PCHD has the highest glass transition temperature (T{sub g} {approx} 231 C) of all hydrocarbon polymers, and it also shows good heat, weather, impact, abrasion, and chemical resistance as well as low water absorption. In addition, PCHD has unique photochemical properties, such as excellent transparency, due to the isolated double bonds in the main chain. Also, block copolymers containing PCHD show unusual phase separation behavior. For example, a styrene/1,3-CHD block copolymer (PS-b-PCHD) with 50 vol % CHD (1,4/1,2 {approx} 95/5) exhibits a core-shell or hollow cylinder morphology, while a typical styrene/acyclic diene (isoprene or butadiene) block copolymer with similar composition exhibits a lamellar structure. Such phase behavior and many other properties strongly depend on the conformation of the polymer in solution or bulk. However, almost no data have been reported on the conformation of PCHD, probably because of the lack of well-defined and well-characterized samples. Here we report solution properties of PCHD in tetrahydrofuran (THF) and chloroform by multiangle laser light scattering, viscometry, and small-angle neutron scattering (SANS).

  2. Six-dimensional real and reciprocal space small-angle X-ray scattering tomography.

    PubMed

    Schaff, Florian; Bech, Martin; Zaslansky, Paul; Jud, Christoph; Liebi, Marianne; Guizar-Sicairos, Manuel; Pfeiffer, Franz

    2015-11-19

    When used in combination with raster scanning, small-angle X-ray scattering (SAXS) has proven to be a valuable imaging technique of the nanoscale, for example of bone, teeth and brain matter. Although two-dimensional projection imaging has been used to characterize various materials successfully, its three-dimensional extension, SAXS computed tomography, poses substantial challenges, which have yet to be overcome. Previous work using SAXS computed tomography was unable to preserve oriented SAXS signals during reconstruction. Here we present a solution to this problem and obtain a complete SAXS computed tomography, which preserves oriented scattering information. By introducing virtual tomography axes, we take advantage of the two-dimensional SAXS information recorded on an area detector and use it to reconstruct the full three-dimensional scattering distribution in reciprocal space for each voxel of the three-dimensional object in real space. The presented method could be of interest for a combined six-dimensional real and reciprocal space characterization of mesoscopic materials with hierarchically structured features with length scales ranging from a few nanometres to a few millimetres--for example, biomaterials such as bone or teeth, or functional materials such as fuel-cell or battery components.

  3. Small angle neutron scattering (SANS) study of γ' precipitates in single crystals of AM1 superalloy

    NASA Astrophysics Data System (ADS)

    Bellet, D.; Bastie, P.; Royer, A.; Lajzerowicz, J.; Legrand, J. F.; Bonnet, R.

    1992-06-01

    The morphology of γ' precipitates of AM1 single crystal superalloys has been studied by small neutron scattering (SANS), and electron microscopy. Due to the single crystal nature of the samples, the SANS patterns are anisotropic and exhibit a fourfold symmetry corresponding both to the shape and to the spatial arrangement of the precipitates in a (001) plane. Measurements for other sample orientations have allowed us to improve the analysis of the shape of the precipitates. After creep deformation along the < 001 > axis, a twofold symmetry corresponding to the “rafting” of the γ' precipitates is observed in the (010) plane. The main effect of heat treatments at 1 050 °C, commonly used for industrial applications, is the coarsening of the precipitates. From the displacement of the correlation peaks towards smaller angles, we deduce an average centre-to-centre spacing between the precipitates which increases with the annealing time from 0.3 μm to 0.6 μm according to the Lifshitz, Slyosov, Wagner behaviour. The results are compared to electron microscopy measurements, performed on the same samples.

  4. A Small-Angle Scattering Study of the Bulk Structure of a Symmetric Diblock Copolymer System

    NASA Astrophysics Data System (ADS)

    Papadakis, Christine M.; Almdal, Kristoffer; Mortensen, Kell; Posselt, Dorthe

    1997-12-01

    The bulk structure of a homologous series of symmetric polystyrene-polybutadiene (SB) diblock copolymers is investigated using small-angle X-ray and neutron scattering (SANS). The study focuses on the lamellar thickness, the lamellar correlation length and the concentration profile as a function of the chain length and the preparation method applied. The characteristic length, D, scales with the chain length, N, in the whole range studied, but with a clear change in scaling exponent near χ N = 29, in accordance with theoretical predictions of a crossover from an Intermediate-Segregation Regime (ISR) to the Strong-Segregation Limit (SSL). In the ISR (χ N simeq 5-29), D is found to scale like D propto N^{0.83} and in the SSL (χ N > 29) like D propto N^{0.61} . The temperature dependence of the SANS spectra is studied for a low molar mass sample in an interval around the order-disorder transition temperature (TODT). The peak position is found to vary more strongly with temperature than expected for Gaussian chains. Only a weak discontinuity of the peak position at TODT is observed. In summary, the phase behavior of symmetric SB diblock copolymers in the bulk spans three regimes: the Gaussian regime in the region χ N < 5, the ISR for 5 < χ N < 29 and the SSL for χ N > 29.

  5. Investigation of Monodisperse Dendrimeric Polysaccharide Nanoparticle Dispersions Using Small Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Atkinson, John; Nickels, Jonathan; Papp-Szabo, Erzsi; Katsaras, John; Dutcher, John

    2015-03-01

    Phytoglycogen is a highly branched polysaccharide that is very similar to the energy storage molecule glycogen. We have isolated monodisperse phytoglycogen nanoparticles from corn and these particles are attractive for applications in the cosmetic, food and beverage, and biomedical industries. Many of these promising applications are due to the special interaction between the nanoparticles and water, which results in: (1) high solubility; (2) low viscosity and high stability in aqueous dispersions; and (3) a remarkable capacity to sequester and retain water. Our rheology measurements indicate that the nanoparticles behave like hard spheres in water, with the viscosity diverging for concentrations >25% (w/w). Because of this, aqueous suspensions of phytoglycogen provide an ideal platform for detailed testing of theories of colloidal glasses and jamming. To further explore the interaction of the phytoglycogen particles and water, we have performed small angle neutron scattering (SANS) measurements on the Extended Q-Range SANS (EQ-SANS) diffractometer at the Spallation Neutron Source at Oak Ridge National Laboratory. Measurements performed on phytoglycogen dispersions in mixtures of hydrogenated and deuterated water have allowed us to determine the particle size and average particle spacing as a function of the phytoglycogen concentration in the limits of dilute and concentrated dispersions.

  6. Small Angle Neutron Scattering (SANS) Studies on the Structural Evolution of Pyromellitamide Self-assembled Gels

    SciTech Connect

    Scott, Jamieson; Tong, Katie; William, Hamilton; He, Lilin; James, Michael; Thordarson, Pall; Boukhalfa, Sofiane

    2014-10-31

    The kinetics of aggregation of two pyromellitamide gelators; tetrabutyl- (C4) and tetrahexylpyromellitamide (C6), in deuterated cyclohexane has been investigated by small angle neutron scattering (SANS) for up to six days. The purpose of this study was to improve our understanding of how self-assembled gels are formed. Short-term (< 3 hour) time scales revealed multiple phases with the data for the tetrabutylpyromellitamide C4 indicating one dimensional stacking and aggregation corresponding to a multi-fiber braided cluster arrangement that is about 35 Å in diameter. The corresponding tetrahexylpyromellitamide C6 data suggests that the C6 also forms one-dimensional stacks but that these aggregate to a thicker multi-fiber braided cluster that have a diameter of 61.8 Å. Over a longer period of time, the radius, persistence length and contour length all continue to increase in 6 days after cooling. This data suggests that structural changes in self-assembled gels occur over a period exceeding several days and that fairly subtle changes in the structure (e.g. tail-length) can influence the packing of molecules in self-assembled gels on the single-to-few fiber bundle stage.

  7. Quantification of microstructural features in HMX using small angle neutron scattering techniques

    SciTech Connect

    Mang, J.T.; Skidmore, C.B.; Hjelm, R.P.; Howe, P.M.

    1998-12-01

    Microstructural features in raw powders of High Explosives have been qualitatively observed by many researchers, using polarized light and scanning electron microscopy. Here, the authors present a method for non-destructive quantification of volume fraction and structure of intragranular cracks and crystallization voids in a bulk sample (100--300 mg). By employing Small Angle Neutron Scattering (SANS) in conjunction with the method of contrast variation, they can effectively highlight different structural features of a complex system. The technique of contrast variation relies on immersing the sample in a uniform fluid of known neutron scattering length density. By selectively varying the scattering length density of the immersion fluid, scattering contributions from internal and external structures can be separated. This approach is analogous to varying the index of refraction for immersion oil relative to a sample in polarized light microscopy. SANS experiments on HMX were conducted using loose powders (261 and 10 micron mean particle diameters) and pellets made by uniaxial consolidation (without binder) to 7 and 10 volume percent porosity respectively. Detailed modeling of the SANS data indicate significant alteration of the intragranular void/crack/pore structure, with pressing, of the HMX powders.

  8. Six-dimensional real and reciprocal space small-angle X-ray scattering tomography

    NASA Astrophysics Data System (ADS)

    Schaff, Florian; Bech, Martin; Zaslansky, Paul; Jud, Christoph; Liebi, Marianne; Guizar-Sicairos, Manuel; Pfeiffer, Franz

    2015-11-01

    When used in combination with raster scanning, small-angle X-ray scattering (SAXS) has proven to be a valuable imaging technique of the nanoscale, for example of bone, teeth and brain matter. Although two-dimensional projection imaging has been used to characterize various materials successfully, its three-dimensional extension, SAXS computed tomography, poses substantial challenges, which have yet to be overcome. Previous work using SAXS computed tomography was unable to preserve oriented SAXS signals during reconstruction. Here we present a solution to this problem and obtain a complete SAXS computed tomography, which preserves oriented scattering information. By introducing virtual tomography axes, we take advantage of the two-dimensional SAXS information recorded on an area detector and use it to reconstruct the full three-dimensional scattering distribution in reciprocal space for each voxel of the three-dimensional object in real space. The presented method could be of interest for a combined six-dimensional real and reciprocal space characterization of mesoscopic materials with hierarchically structured features with length scales ranging from a few nanometres to a few millimetres—for example, biomaterials such as bone or teeth, or functional materials such as fuel-cell or battery components.

  9. Counterion Distribution Around Protein-SNAs probed by Small-angle X-ray scattering

    NASA Astrophysics Data System (ADS)

    Krishnamoorthy, Kurinji; Bedzyk, Michael; Kewalramani, Sumit; Moreau, Liane; Mirkin, Chad

    Protein-DNA conjugates couple the advanced cell transfection capabilities of spherical DNA architecture and the biocompatible enzymatic activity of a protein core to potentially create therapeutic agents with dual functionality. An understanding of their stabilizing ionic environment is crucial to better understand and predict their properties. Here, we use Small-angle X-ray scattering techniques to decipher the structure of the counterion cloud surrounding these DNA coated nanoparticles. Through the use of anomalous scattering techniques we have mapped the local concentrations of Rb+ ions in the region around the Protein-DNA constructs. These results are further corroborated with simulations using a geometric model for the excess charge density as function of radial distance from the protein core. Further, we investigate the influence of solution ionic strength on the structure of the DNA corona and demonstrate a reduction in the extension of the DNA corona with increasing concentration of NaCl in solution for the case of both single and double stranded DNA shells. Our work reveals the distribution of counterions in the vicinity of Protein-DNA conjugates and decouples the effect of solution ionic strength on the thickness of the DNA layer.

  10. Microstructure of 3D-Printed Polymer Composites Investigated by Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Kang, Tae Hui; Compton, Brett G.; Heller, William T.; Urban, Voker S.; Duty, Chad E.; Do, Changwoo

    Polymer composites printed from the large scale printer at Manufacturing Demonstration Facility at Oak Ridge National Laboratory have been investigated by small-angle neutron scattering (SANS). For the Acrylonitrile Butadiene Styrene (ABS)/Carbon Fiber (CF) composites, the microstructure of polymer domains and the alignment of CF have been characterized across the layer from the printed piece. CF shows strong anisotropic alignment along the printing direction due to the flow of polymer melt at the nozzle. Order parameter of the anisotropy which ranges from -0.11 to -0.06 exhibits strong correlation with the position within the layer: stronger alignment near the layer interface. It is also confirmed that the existence of CF reduces the polymer domain correlation length significantly and reinforces the mechanical strength of the polymer composites. For the Epoxy/nano-clay platelet composites, the effect of processing condition, nozzle size, and the addition of the another filler, Silicon Carbide (SC), have been investigated by SANS. Nano-clay platelet shows strong anisotropic alignment along the printing direction as well. Order parameter of the anisotropy varies according to nozzle size and presence of the SC, and difference disappears at high Q region. Scientific User Facilities Division and Materials Sciences and Energy Division, Office of Basic Energy Sciences, U.S. Department of Energy.

  11. Small-Angle Neutron Scattering study of the NIST mAb reference material

    NASA Astrophysics Data System (ADS)

    Castellanos, Maria Monica; Liu, Yun; Krueger, Susan; Curtis, Joseph

    Monoclonal antibodies (mAbs) are of great interest to the biopharmaceutical industry because they can be engineered to target specific antigens. Due to their importance, the biomanufacturing initiative at NIST is developing an IgG1 mAb reference material `NIST mAb', which can be used by industry, academia, and regulatory authorities. As part of this collaborative effort, we aim at characterizing the reference material using neutron scattering techniques. We have studied the small-angle scattering profile of the NIST mAb in a histidine buffer at 0 and 150 mM NaCl. Using Monte Carlo simulations, we generate an ensemble of structures and calculate their theoretical scattering profile, which can be directly compared with experimental data. Moreover, we analyze the structure factor to understand the effect of solution conditions on the protein-protein interactions. Finally, we have measured the solution scattering of the NIST mAb, while simultaneously performing freeze/thaw cycles, in order to investigate if the solution structure was affected upon freezing. The results from neutron scattering not only support the development of the reference material, but also provide insights on its stability and guide efforts for its development under different formulations.

  12. Automated acquisition and analysis of small angle X-ray scattering data

    NASA Astrophysics Data System (ADS)

    Franke, Daniel; Kikhney, Alexey G.; Svergun, Dmitri I.

    2012-10-01

    Small Angle X-ray Scattering (SAXS) is a powerful tool in the study of biological macromolecules providing information about the shape, conformation, assembly and folding states in solution. Recent advances in robotic fluid handling make it possible to perform automated high throughput experiments including fast screening of solution conditions, measurement of structural responses to ligand binding, changes in temperature or chemical modifications. Here, an approach to full automation of SAXS data acquisition and data analysis is presented, which advances automated experiments to the level of a routine tool suitable for large scale structural studies. The approach links automated sample loading, primary data reduction and further processing, facilitating queuing of multiple samples for subsequent measurement and analysis and providing means of remote experiment control. The system was implemented and comprehensively tested in user operation at the BioSAXS beamlines X33 and P12 of EMBL at the DORIS and PETRA storage rings of DESY, Hamburg, respectively, but is also easily applicable to other SAXS stations due to its modular design.

  13. Determining the melt miscibility of commercial polyolefin blends by Small-Angle Light Scattering

    NASA Astrophysics Data System (ADS)

    Peng, Ping

    2005-03-01

    The melt miscibility of high-density polyethylene (HDPE) (Mw = 52 kg/mol, PDI = 2.9) and linear low-density polyethylenes (LLDPEs) based on homogeneous ethylene-1-butene copolymers (EB0187: 18.7 mol% butene branches, Mw = 58.1 kg/mol and EB0059: 5.9 mol% butene branches, Mw = 70 kg/mol) is determined by Small-Angle Light Scattering (SALS) under parallel-polarized optical alignment. Blends with branching density differences (δy) ranging from 5.9 to 18.7 mol% were studied. For the HDPE/EB0187 blend, (δy = 18.7%), cooling and isothermal measurements (2 h) in the melt can be used to determine the miscibility and the phase boundary. When this blend is rapidly cooled room temperature, the resulting SALS patterns show that the size of phase separated domain (˜ 1 μm) is much smaller than the average spherulite size (68 μm). These results consist with our microscopic observations and the transmitted light measured simultaneously with the VV scattering in the melt. From the compositions studied, we can conclude that this blend exhibits UCST behavior. For blends with lower δy, isothermal measurements provide a sensitive means for determining the melt miscibility. Based on the above observations, we can conclude that SALS can be used to determine the melt miscibility of polyolefin blends.

  14. Estimation and modeling of coal pore accessibility using small angle neutron scattering

    SciTech Connect

    Zhang, Rui; Liu, Shimin; Bahadur, Jitendra; Elsworth, Derek; Melnichenko, Yuri; He, Lilin; Wang, Yi

    2015-09-04

    Gas diffusion in coal is controlled by nano-structure of the pores. The interconnectivity of pores not only determines the dynamics of gas transport in the coal matrix but also influences the mechanical strength. In this study, small angle neutron scattering (SANS) was employed to quantify pore accessibility for two coal samples, one of sub-bituminous rank and the other of anthracite rank. Moreover, a theoretical pore accessibility model was proposed based on scattering intensities under both vacuum and zero average contrast (ZAC) conditions. Our results show that scattering intensity decreases with increasing gas pressure using deuterated methane (CD4) at low Q values for both coals. Pores smaller than 40 nm in radius are less accessible for anthracite than sub-bituminous coal. On the contrary, when the pore radius is larger than 40 nm, the pore accessibility of anthracite becomes larger than that of sub-bituminous coal. Only 20% of pores are accessible to CD4 for anthracite and 37% for sub-bituminous coal, where the pore radius is 16 nm. For these two coals, pore accessibility and pore radius follows a power-law relationship.

  15. Estimation and modeling of coal pore accessibility using small angle neutron scattering

    DOE PAGES

    Zhang, Rui; Liu, Shimin; Bahadur, Jitendra; Elsworth, Derek; Melnichenko, Yuri; He, Lilin; Wang, Yi

    2015-09-04

    Gas diffusion in coal is controlled by nano-structure of the pores. The interconnectivity of pores not only determines the dynamics of gas transport in the coal matrix but also influences the mechanical strength. In this study, small angle neutron scattering (SANS) was employed to quantify pore accessibility for two coal samples, one of sub-bituminous rank and the other of anthracite rank. Moreover, a theoretical pore accessibility model was proposed based on scattering intensities under both vacuum and zero average contrast (ZAC) conditions. Our results show that scattering intensity decreases with increasing gas pressure using deuterated methane (CD4) at low Qmore » values for both coals. Pores smaller than 40 nm in radius are less accessible for anthracite than sub-bituminous coal. On the contrary, when the pore radius is larger than 40 nm, the pore accessibility of anthracite becomes larger than that of sub-bituminous coal. Only 20% of pores are accessible to CD4 for anthracite and 37% for sub-bituminous coal, where the pore radius is 16 nm. For these two coals, pore accessibility and pore radius follows a power-law relationship.« less

  16. Small-angle scattering studies of the pore spaces of shaly rocks

    NASA Astrophysics Data System (ADS)

    Hall, Peter L.; Mildner, David F. R.; Borst, Roger L.

    1986-02-01

    Small-angle neutron and X ray scattering (SANS and SAXS) measurements have been performed on shaly rocks from a variety of oil field locations. Thin core sections cut parallel to their bedding planes give circularly symmetric scattering patterns. On the basis of the model of Debye et al., the data indicate characteristic pore dimensions of 9-15 nm. Sections cut normal to the bedding planes exhibit elliptically symmetric scattering indicative of pores flattened in the direction of sedimentary compaction. Fourier inversion of the symmetric SANS data in all cases yields a broad distribution of pore diameters having peaks typically in the range 4-6 nm. These distributions are in reasonable agreement with distributions derived from nitrogen adsorption isotherms, although often in disagreement with nitrogen desorption or mercury porosimetry data. At higher scattering vectors, in the Porod region, differences between the SAXS and SANS data are observed which are explained in terms of the rather different sensitives of the two techniques to empty and filled pores. The data indicate that a significant component of the total porosity is due to pores of less than 2 nm in diameter, in which water is retained under ambient conditions. In several cases, pore dimensions measured by SANS increase after extraction of bitumens by methylene chloride solution, suggesting an intimate microscopic association of hydrocarbon and fine mineral grains.

  17. In situ microfluidic dialysis for biological small-angle X-ray scattering

    PubMed Central

    Skou, Magda; Skou, Søren; Jensen, Thomas G.; Vestergaard, Bente; Gillilan, Richard E.

    2014-01-01

    Owing to the demand for low sample consumption and automated sample changing capabilities at synchrotron small-angle X-ray (solution) scattering (SAXS) beamlines, X-ray microfluidics is receiving continuously increasing attention. Here, a remote-controlled microfluidic device is presented for simultaneous SAXS and ultraviolet absorption measurements during protein dialysis, integrated directly on a SAXS beamline. Microfluidic dialysis can be used for monitoring structural changes in response to buffer exchange or, as demonstrated, protein concentration. By collecting X-ray data during the concentration procedure, the risk of inducing protein aggregation due to excessive concentration and storage is eliminated, resulting in reduced sample consumption and improved data quality. The proof of concept demonstrates the effect of halted or continuous flow in the microfluidic device. No sample aggregation was induced by the concentration process at the levels achieved in these experiments. Simulations of fluid dynamics and transport properties within the device strongly suggest that aggregates, and possibly even higher-order oligomers, are preferentially retained by the device, resulting in incidental sample purification. Hence, this versatile microfluidic device enables investigation of experimentally induced structural changes under dynamically controllable sample conditions. PMID:25242913

  18. Percolating bulk-heterostructures from neutron reflectometry and small angle scattering data

    NASA Astrophysics Data System (ADS)

    Olds, Daniel; Duxbury, Phillip

    2013-03-01

    We present a novel algorithm for efficiently calculating the simulated small angle scattering data of any discretized morphological model of arbitrary scale and resolution, referred to as the distribution function method (DFM). Unlike standard SAS fitting methods, the DFM algorithm allows for the calculation of form factors and structure factors from complex nanoscale morphologies commonly encountered in many modern polymeric and nanoparticle based systems, which have no exact analytical corollary. The computational efficiency of the DFM algorithm suggests it's use in morphological model refinement. We will present a number of simple examples to demonstrate the accuracy and limits of the algorithm, followed by an example of incorporation of the DFM algorithm into reverse Monte Carlo structural refinement of bulk-heterojunction two-phase morphologies, such as those commonly found in organic photovoltaic devices. We will show that morphological features introduced via direct incorporation of experimental neutron reflectometry and SANS data to the models has a direct effect on the results of device simulations. The authors thank CORE-CM at Michigan State University for it's funding of this research.

  19. Fractal Structures on Fe3O4 Ferrofluid: A Small-Angle Neutron Scattering Study

    NASA Astrophysics Data System (ADS)

    Giri Rachman Putra, Edy; Seong, Baek Seok; Shin, Eunjoo; Ikram, Abarrul; Ani, Sistin Ari; Darminto

    2010-10-01

    A small-angle neutron scattering (SANS) which is a powerful technique to reveal the large scale structures was applied to investigate the fractal structures of water-based Fe3O4ferrofluid, magnetic fluid. The natural magnetite Fe3O4 from iron sand of several rivers in East Java Province of Indonesia was extracted and purified using magnetic separator. Four different ferrofluid concentrations, i.e. 0.5, 1.0, 2.0 and 3.0 Molar (M) were synthesized through a co-precipitation method and then dispersed in tetramethyl ammonium hydroxide (TMAH) as surfactant. The fractal aggregates in ferrofluid samples were observed from their SANS scattering distributions confirming the correlations to their concentrations. The mass fractal dimension changed from about 3 to 2 as ferrofluid concentration increased showing a deviation slope at intermediate scattering vector q range. The size of primary magnetic particle as a building block was determined by fitting the scattering profiles with a log-normal sphere model calculation. The mean average size of those magnetic particles is about 60 - 100 Å in diameter with a particle size distribution σ = 0.5.

  20. Characterization of lysozyme adsorption in cellulosic chromatographic materials using small-angle neutron scattering.

    PubMed

    Koshari, Stijn H S; Wagner, Norman J; Lenhoff, Abraham M

    2015-06-19

    Measurements of the nanoscale structure of chromatographic adsorbents and the associated distribution of sorbed protein within the media can facilitate improvements in such media. We demonstrate a new technique for this purpose using small-angle neutron scattering (SANS) to characterize the nano- to microscale structure of the chromatographic media and sorbed protein under conditions relevant for preparative chromatographic separations. The adsorption of lysozyme on cellulosic S HyperCel™ (Pall Corporation), a strong cation exchanger, was investigated by SANS. The scattering spectrum is reduced to three contributions arising from (1) the chromatographic medium, (2) discrete protein molecules, and (3) the distribution of sorbed protein within the medium. These contributions are quantified for a range of protein loadings. The total concentration of protein in the chromatographic media can be quantified from the SANS spectrum and the protein is observed to retain its tertiary structure upon adsorption, within the resolution of the method. Further analysis of the SANS spectra shows that protein adsorption is uniform in the media. These measurement techniques provide new and valuable nanoscale information about protein sorption in chromatographic media.

  1. Electron-nucleus scattering at small angles in the field of a pulsed laser wave

    NASA Astrophysics Data System (ADS)

    Lebed', A. A.

    2016-04-01

    We study scattering of an electron by a screened potential of a nucleus in the field of a pulsed laser wave at small scattering angles. The interaction of an electron with the field of a nucleus is considered in the first Born approximation. An external field of a pulsed laser is accounted accurately as a quasimonochromatic wave. Analytical expressions are obtained for the transition amplitude and the cross section of the considered process. Scattering kinematics is defined at the minimal value of a transferred momentum. In this case the cross section contains a peak near the preferred scattering direction. It is shown that the maximum value of the cross section is determined by both the initial-electron energy and the energy of an external-field photon. Thus, the cross section of electron-nucleus scattering in a pulsed laser field can exceed in two orders of magnitude the cross section in absence of an external field in the case of ultrarelativistic energies and external field of a free-electron laser with keV-order photon energy.

  2. Small-angle neutron scattering reveals a pH-dependent conformational change in cellobiohydrolase I

    SciTech Connect

    Pingali, Sai Venkatesh; O'Neill, Hugh Michael; McGaughey, Joseph; Urban, Volker S; Myles, Dean A A; Petridis, Loukas; Smith, Jeremy C; Evans, Barbara R; Heller, William T

    2011-01-01

    Cellobiohydrolase I (Cel7A) of the fungus Trichoderma reesei (now classified as an anamorph of Hypocrea jecorina) hydrolyzes crystalline cellulose to soluble sugars, making it of key interest for producing fermentable sugars from biomass for biofuel production. The activity of the enzyme is pH-dependent, with its highest activity occurring at pH 4-5. To probe the response of the solution structure of Cel7A to changes in pH, we measured small angle neutron scattering of it in a series of solutions having pH values of 7.0, 6.0, 5.3, and 4.2. As the pH decreases from 7.0 to 5.3, the enzyme structure remains well defined, possessing a spatial differentiation between the cellulose binding domain and the catalytic core that only changes subtly. At pH 4.2, the solution conformation of the enzyme changes to a structure that is intermediate between a properly folded enzyme and a denatured, unfolded state, yet the secondary structure of the enzyme is essentially unaltered. The results indicate that at the pH of optimal activity, the catalytic core of the enzyme adopts a structure in which the compact packing typical of a fully folded polypeptide chain is disrupted and suggest that the increased range of structures afforded by this disordered state plays an important role in the increased activity of Cel7A through conformational selection.

  3. Small-angle neutron scattering correlation functions of bulk magnetic materials

    PubMed Central

    Mettus, Denis; Michels, Andreas

    2015-01-01

    On the basis of the continuum theory of micromagnetics, the correlation function of the spin-misalignment small-angle neutron scattering cross section of bulk ferromagnets (e.g. elemental polycrystalline ferromagnets, soft and hard magnetic nanocomposites, nanoporous ferromagnets, or magnetic steels) is computed. For such materials, the spin disorder which is related to spatial variations in the saturation magnetization and magnetic anisotropy field results in strong spin-misalignment scattering dΣM/dΩ along the forward direction. When the applied magnetic field is perpendicular to the incoming neutron beam, the characteristics of dΣM/dΩ (e.g. the angular anisotropy on a two-dimensional detector or the asymptotic power-law exponent) are determined by the ratio of magnetic anisotropy field strength H p to the jump ΔM in the saturation magnetization at internal interfaces. Here, the corresponding one- and two-dimensional real-space correlations are analyzed as a function of applied magnetic field, the ratio H p/ΔM, the single-particle form factor and the particle volume fraction. Finally, the theoretical results for the correlation function are compared with experimental data on nanocrystalline cobalt and nickel. PMID:26500464

  4. Characterization of fullerenes and fullerene derivatives by small-angle neutron scattering and transmission measurements

    SciTech Connect

    Melnichenko, Y.B.; Wignall, G.D.; Affholter, K.A.

    1997-01-01

    Small-angle neutron scattering (SANS) has been shown to be an appropriate technique for the structural characterization of fullerenes (1) in solvents with strong SANS contrast (e.g. CS{sub 2}) and we have extended initial studies of C{sub 60} (1) to include C{sub 70} and C{sub 84} moieties. Deuterated solvents (e.g. toluene-d{sub 8}) have a high scattering length density (SLD), which is close to that of C{sub 60}, so there is virtually no SANS contrast with the solvent. Hence, these particles are practically {open_quotes}invisible{close_quotes} in such media, though the negative scattering length of hydrogen means that SLD of H{sup 1}-containing materials is much lower, so they have strong contrast with toluene-d{sub 8}. Thus, SANS makes it possible to study the size and shapes of modified buckyballs and this paper describes the first results on cyclohexane-substituted fullerenes.

  5. Small-angle light scattering by airborne particulates: Environnement S.A. continuous particulate monitor

    NASA Astrophysics Data System (ADS)

    Renard, Jean-Baptiste; Thaury, Claire; Mineau, Jean-Luc; Gaubicher, Bertrand

    2010-08-01

    Airborne particulate matter may have an effect on human health. It is therefore necessary to determine and control in real time the evolution of the concentration and mass of particulates in the ambient air. These parameters can be obtained using optical methods. We propose here a new instrument, 'CPM' (continuous particulate monitor), for the measurement of light scattered by ambient particulates at small angles. This geometry allows simultaneous and separate detections of PM10, PM2.5 and PM1 fractions of airborne particulate matter, with no influence of their chemical nature and without using theoretical calculations. The ambient air is collected through a standard sampling head (PM10 inlet according to EN 12341, PM2.5 inlet according to EN 14907; or PM1, TSP inlets, standard US EPA inlets). The analysis of the first measurements demonstrates that this new instrument can detect, for each of the seven defined size ranges, real-time variations of particulate content in the ambient air. The measured concentrations (expressed in number per liter) can be converted into total mass concentrations (expressed in micrograms per cubic meter) of all fractions of airborne particulate matters sampled by the system. Periodic comparison with a beta-attenuation mass monitor (MP101M Beta Gauge Analyzer from Environnement S.A. company) allows the calculation of a calibration factor as a function of the mean particulate density that is used for this conversion. It is then possible to provide real-time relative variations of aerosol mass concentration.

  6. Dynamic Conformations of Nucleosome Arrays in Solution from Small-Angle X-ray Scattering

    NASA Astrophysics Data System (ADS)

    Howell, Steven C.

    Chromatin conformation and dynamics remains unsolved despite the critical role of the chromatin in fundamental genetic functions such as transcription, replication, and repair. At the molecular level, chromatin can be viewed as a linear array of nucleosomes, each consisting of 147 base pairs (bp) of double-stranded DNA (dsDNA) wrapped around a protein core and connected by 10 to 90 bp of linker dsDNA. Using small-angle X-ray scattering (SAXS), we investigated how the conformations of model nucleosome arrays in solution are modulated by ionic condition as well as the effect of linker histone proteins. To facilitate ensemble modeling of these SAXS measurements, we developed a simulation method that treats coarse-grained DNA as a Markov chain, then explores possible DNA conformations using Metropolis Monte Carlo (MC) sampling. This algorithm extends the functionality of SASSIE, a program used to model intrinsically disordered biological molecules, adding to the previous methods for simulating protein, carbohydrates, and single-stranded DNA. Our SAXS measurements of various nucleosome arrays together with the MC generated models provide valuable solution structure information identifying specific differences from the structure of crystallized arrays.

  7. Alzheimer's disease imaging biomarkers using small-angle x-ray scattering

    NASA Astrophysics Data System (ADS)

    Choi, Mina; Alam, Nadia; Dahal, Eshan; Ghammraoui, Bahaa; Badano, Aldo

    2016-03-01

    There is a need for novel imaging techniques for the earlier detection of Alzheimer's disease (AD). Two hallmarks of AD are amyloid beta (Aβ) plaques and tau tangles that are formed in the brain. Well-characterized x-ray cross sections of Aβ and tau proteins in a variety of structural states could potentially be used as AD biomarkers for small-angle x-ray scattering (SAXS) imaging without the need for injectable probes or contrast agents. First, however, the protein structures must be controlled and measured to determine accurate biomarkers for SAXS imaging. Here we report SAXS measurements of Aβ42 and tau352 in a 50% dimethyl sulfoxide (DMSO) solution in which these proteins are believed to remain monomeric because of the stabilizing interaction of DMSO solution. Our SAXS analysis showed the aggregation of both proteins. In particular, we found that the aggregation of Aβ42 slowly progresses with time in comparison to tau352 that aggregates at a faster rate and reaches a steady-state. Furthermore, the measured signals were compared to the theoretical SAXS profiles of Aβ42 monomer, Aβ42 fibril, and tau352 that were computed from their respective protein data bank structures. We have begun the work to systematically control the structural states of these proteins in vitro using various solvent conditions. Our future work is to utilize the distinct SAXS profiles of various structural states of Aβ and tau to build a library of signals of interest for SAXS imaging in brain tissue.

  8. New Insights into Pore Characteristics and Hydrocarbon Generation of Shale Using Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Ding, M.; Hartl, M.; Wang, Y.; Hjelm, R.

    2014-12-01

    Pore size, distribution, connectivity, and shape as well as hydrocarbon saturation and composition reflect the history of hydrocarbon maturation and migration. However, characterization of the underlying factors and processes controlling hydrocarbons behavior in tight rocks is extremely limited, especially lacking of direct experimental observations. We have studied the pore characteristics of marine and lacustrine shale from the Erdos basin, China during laboratory pyrolysis using small-angle neutron scattering (SANS). Our SANS results show that scattering intensity of smaller pores (< 20 nm)/larger Q values of shale samples increase systematically as temperature increase during pyrolysis from 250 oC to 600oC (Fig.1a). These results in combination with hydrocarbon fractions measurements during the same process (Fig. 1b) provide a quantitative relation between pore characteristics and hydrocarbons generation. Our results indicate that hydrocarbon expulsion primarily causes the observed changes in smaller pores. They also demonstrate that due to its sensitivity to hydrogen, SANS locates all pores whether the pore is filled or not with hydrocarbons. Thus, SANS is particularly suited for probing hydrocarbon behavior in tight shale reservoirs and the factors that impact their pore dynamics for the petroleum industry.

  9. Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins.

    PubMed

    Kusmin, André; Lechner, Ruep E; Saenger, Wolfram

    2011-01-14

    We present a model for quasielastic neutron scattering (QENS) by an aqueous solution of compact and inflexible molecules. This model accounts for time-dependent spatial pair correlations between the atoms of the same as well as of distinct molecules and includes all coherent and incoherent neutron scattering contributions. The extension of the static theory of the excluded volume effect [A. K. Soper, J. Phys.: Condens. Matter 9, 2399 (1997)] to the time-dependent (dynamic) case allows us to obtain simplified model expressions for QENS spectra in the low Q region in the uniform fluid approximation. The resulting expressions describe the quasielastic small-angle neutron scattering (QESANS) spectra of D(2)O solutions of native and methylated cyclodextrins well, yielding in particular translational and rotational diffusion coefficients of these compounds in aqueous solution. Finally, we discuss the full potential of the QESANS analysis (that is, beyond the uniform fluid approximation), in particular, the information on solute-solvent interactions (e.g., hydration shell properties) that such an analysis can provide, in principle.

  10. How Random are Intrinsically Disordered Proteins? A Small Angle Scattering Perspective

    PubMed Central

    Receveur-Bréchot, Véronique; Durand, Dominique

    2012-01-01

    While the crucial role of intrinsically disordered proteins (IDPs) in the cell cycle is now recognized, deciphering their molecular mode of action at the structural level still remains highly challenging and requires a combination of many biophysical approaches. Among them, small angle X-ray scattering (SAXS) has been extremely successful in the last decade and has become an indispensable technique for addressing many of the fundamental questions regarding the activities of IDPs. After introducing some experimental issues specific to IDPs and in relation to the latest technical developments, this article presents the interest of the theory of polymer physics to evaluate the flexibility of fully disordered proteins. The different strategies to obtain 3-dimensional models of IDPs, free in solution and associated in a complex, are then reviewed. Indeed, recent computational advances have made it possible to readily extract maximum information from the scattering curve with a special emphasis on highly flexible systems, such as multidomain proteins and IDPs. Furthermore, integrated computational approaches now enable the generation of ensembles of conformers to translate the unique flexible characteristics of IDPs by taking into consideration the constraints of more and more various complementary experiment. In particular, a combination of SAXS with high-resolution techniques, such as x-ray crystallography and NMR, allows us to provide reliable models and to gain unique structural insights about the protein over multiple structural scales. The latest neutron scattering experiments also promise new advances in the study of the conformational changes of macromolecules involving more complex systems. PMID:22044150

  11. Small Angle Neutron Scattering (SANS) Studies on the Structural Evolution of Pyromellitamide Self-assembled Gels

    DOE PAGES

    Scott, Jamieson; Tong, Katie; William, Hamilton; He, Lilin; James, Michael; Thordarson, Pall; Boukhalfa, Sofiane

    2014-10-31

    The kinetics of aggregation of two pyromellitamide gelators; tetrabutyl- (C4) and tetrahexylpyromellitamide (C6), in deuterated cyclohexane has been investigated by small angle neutron scattering (SANS) for up to six days. The purpose of this study was to improve our understanding of how self-assembled gels are formed. Short-term (< 3 hour) time scales revealed multiple phases with the data for the tetrabutylpyromellitamide C4 indicating one dimensional stacking and aggregation corresponding to a multi-fiber braided cluster arrangement that is about 35 Å in diameter. The corresponding tetrahexylpyromellitamide C6 data suggests that the C6 also forms one-dimensional stacks but that these aggregate tomore » a thicker multi-fiber braided cluster that have a diameter of 61.8 Å. Over a longer period of time, the radius, persistence length and contour length all continue to increase in 6 days after cooling. This data suggests that structural changes in self-assembled gels occur over a period exceeding several days and that fairly subtle changes in the structure (e.g. tail-length) can influence the packing of molecules in self-assembled gels on the single-to-few fiber bundle stage.« less

  12. Small-angle neutron scattering studies of chlorophyll micelles: Models for bacterial antenna chlorophyll

    PubMed Central

    Worcester, D. L.; Michalski, T. J.; Katz, J. J.

    1986-01-01

    Micelles of hydrated chlorophyll a (P740), bacteriochlorophyll a (P865), bacteriochlorophyll c (P750), and pheophytin a prepared in organic media have been studied by small-angle neutron scattering to determine their shape, size, and mass per unit length. All of the micelles are hollow cylinders of well-defined size. The P740 and P750 cylinders are essentially monolayers of macrocycles crosslinked by water, probably in an arrangement similar to that of crystals of chlorophyll derivatives. The P865 micelle is more nearly a bilayer of macrocycles. We show that the curvature necessary to form cylinders probably results from intrinsic curvature of the five-coordinated chlorophyll macrocycle. Studies of P740 micelle formation and the disaggregating effects of another nucleophile (pyridine) are described. As the P750 micelles are nearly identical in size and optical spectra to the rod-shaped structures observed in chlorosomes, and the P865 micelles have optical properties very similar to the in vivo properties of the long-wavelength antenna of purple photosynthetic bacteria, we propose that features of the hydrated cylindrical micelles of these chlorophylls provide good models for antenna chlorophyll in photosynthetic bacteria. Images PMID:16593703

  13. Optical phase curves of exoplanets at small and large phase angles

    NASA Astrophysics Data System (ADS)

    García Muñoz, Antonio

    2016-10-01

    Phase curves and secondary eclipses provide key information on exoplanet atmospheres. Indeed, recent work on close-in giant planets observed by Kepler has shown that it is possible to constrain various reflecting, dynamical and thermal properties of their atmospheres from the analysis of the planets' phase curves. This presentation discusses new diagnostic possibilities for the characterization of exoplanet atmospheres with optical phase curves. These possibilities benefit from the fact that at optical wavelengths the signal from the planet is either partly or mostly determined by scattering of starlight within its atmosphere, which entails that the structure of the planet's phase curve mimics to some extent the optical properties of the atmospheric medium. In particular, we will show how cloud properties such as the particle size or the atmospheric scale height might be constrained through observations at small (i.e. near transit) and large (i.e. near occultation) phase angles. We will emphasize how the interpretation of optical phase curves differs from the interpretation of phase curves obtained at longer wavelengths. The conclusions are relevant to the study of Kepler planets, but also to the investigation of phase curves to be delivered by upcoming space missions such as CHEOPS, JWST, PLATO and TESS.

  14. Small-Angle Neutron Scattering and Fluorescence Studies of Mixed Surfactants with Dodecyl Tails.

    PubMed

    Griffiths; Whatton; Abbott; Kwan; Pitt; Howe; King; Heenan

    1999-07-01

    The mixed micelles formed in solutions of the anionic surfactant sodium dodecylsulfate (SDS) and the nonionic surfactant dodecylmalono-bis-N-methylglucamide (DBNMG) were studied by surface tension, fluorescence, and small-angle neutron scattering. Measurements of the critical micelle concentration (CMC) by surface tension and fluorescence show that these two surfactants mix nonideally. The experimental values of the CMCs for surfactant mixtures for all compositions are less than the ideal prediction proposed by Clint (J. Chem. Soc. 71, 1327 (1975)). Regular solution theory (for example, Penfold et al., Langmuir 11, 2498 (1995)) can be used to calculate the composition of the micelle at the CMC. The micellar composition thus calculated differs significantly from that at higher total surfactant concentrations, the latter being much closer to the stoichiometric composition. The polarity of the micellar environment, as perceived by a solubilized fluorescence probe, is identical for both the single-component and the mixed micelles. The scattering data show that the mixed micelles are comparable in size to the pure nonionic micelle and slightly larger than the anionic micelle. Parallel studies with deuterated SDS showed no evidence of segregation or local ordering within the mixed micelle. The effective charge on the mixed micelle is determined by the amount of ionic surfactant within the micelle. Addition of 0.1 M NaCl to these systems has no effect on the CMC, micelle ellipticity, and aggregation number-a behavior very different from that observed for simple SDS solutions. Copyright 1999 Academic Press.

  15. Structure of Nanoporous Biocarbon for Hydrogen Storage as Determined by Small Angle X-Ray Scattering

    NASA Astrophysics Data System (ADS)

    Wood, Mikael; Burress, J.; Pobst, J.; Carter, S.; Pfeifer, P.; Wexler, C.; Shah, P.; Suppes, G.

    2008-03-01

    As a member of the Alliance for Collaborative Research in Alternative Fuel Technology (ALL-CRAFT) our research group studies the properties of nanoporous biocarbon, produced from waste corn cob, with the goal of achieving the Department of Energy's gravimetric and volumetric standards for both hydrogen and methane gas storage. Small Angle X-Ray Scattering (SAXS) is a valuable tool in our investigation of the geometry of the pore space in our carbon samples. In this talk, we will compare the experimental SAXS data with theoretical results for various pore geometries to determine which pore models are consistent with experiment. Using data from nitrogen adsorption isotherms, along with SAXS, yields significant structural information about the pore space. This analysis should allow us to fully optimize our production process and to achieve the DOE's target storage capacities. This work supported by: 1. National Science Foundation (PFI-0438469) 2. U.S. Department of Education (P200A040038) 3. U.S. Department of Energy (DE-AC02-06CH11357) 4. University of Missouri (RB-06-040) 5. U.S. Department of Defense (N00164-07-P-1306) 6. U.S. Department of Energy (DE-FG02-07ER46411)

  16. Accurate assessment of mass, models and resolution by small-angle scattering

    PubMed Central

    Rambo, Robert P.; Tainer, John A.

    2013-01-01

    Modern small angle scattering (SAS) experiments with X-rays or neutrons provide a comprehensive, resolution-limited observation of the thermodynamic state. However, methods for evaluating mass and validating SAS based models and resolution have been inadequate. Here, we define the volume-of-correlation, Vc: a SAS invariant derived from the scattered intensities that is specific to the structural state of the particle, yet independent of concentration and the requirements of a compact, folded particle. We show Vc defines a ratio, Qr, that determines the molecular mass of proteins or RNA ranging from 10 to 1,000 kDa. Furthermore, we propose a statistically robust method for assessing model-data agreements (X2free) akin to cross-validation. Our approach prevents over-fitting of the SAS data and can be used with a newly defined metric, Rsas, for quantitative evaluation of resolution. Together, these metrics (Vc, Qr, X2free, and Rsas) provide analytical tools for unbiased and accurate macromolecular structural characterizations in solution. PMID:23619693

  17. Preserving the excitation profile of small flip angle RF pulses in the presence of rapid transverse relaxation.

    PubMed

    Shen, Jun

    2012-11-01

    Degradation of excitation profile of selective RF pulses by rapid transverse relaxation has been a long-standing concern. In this report we demonstrate that transverse relaxation can be incorporated into small flip angle RF pulse design based on the linear response theory. Small flip angle pulses that were designed without considering transverse relaxation effects can be transformed for a predefined pulse duration/T(2) ratio. The transformed pulses, within the realm of the linear response theory, produce the same transverse frequency response as if there were no relaxation.

  18. The yields of light meson resonances in neutrino-nucleus interactions at Left-Pointing-Angle-Bracket E{sub {nu}} Right-Pointing-Angle-Bracket Almost-Equal-To 10 GeV

    SciTech Connect

    Agababyan, N. M.; Ammosov, V. V.; Grigoryan, N.; Gulkanyan, H.; Ivanilov, A. A.; Karamyan, Zh.; Korotkov, V. A.

    2011-02-15

    The total yields of the all well established light meson resonances (up to the {phi}(1020) meson) are estimated in neutrino-nucleus charged current interactions at Left-Pointing-Angle-Bracket E{sub {nu}} Right-Pointing-Angle-Bracket Almost-Equal-To 10 GeV, using the data obtained with SKAT bubble chamber. The yield of {phi} meson in neutrino production is obtained for the first time. For some resonances, the yields in the forward and backward hemispheres in the hadronic c.m.s. are also extracted. From the comparison of the obtained and available higher-energy data, an indication is obtained that the resonance yields rise almost linearly as a function of the mass W of the neutrino produced hadronic system. The fractions of pions originating from the light resonance decays are inferred.

  19. A Small Surrogate for the Golden Angle in Time-Resolved Radial MRI Based on Generalized Fibonacci Sequences.

    PubMed

    Wundrak, Stefan; Paul, Jan; Ulrici, Johannes; Hell, Erich; Rasche, Volker

    2015-06-01

    In golden angle radial magnetic resonance imaging a constant azimuthal radial profile spacing of 111.246...(°) guarantees a nearly uniform azimuthal profile distribution in k-space for an arbitrary number of radial profiles. Even though this profile order is advantageous for various real-time imaging methods, in combination with balanced steady-state free precession (SSFP) sequences the large azimuthal angle increment may lead to strong image artifacts, due to the varying eddy currents introduced by the rapidly switching gradient scheme. Based on a generalized Fibonacci sequence, a new sequence of smaller irrational angles is introduced ( 49.750...(°), 32.039...(°), 27.198...(°), 23.628...(°), ... ). The subsequent profile orders guarantee the same sampling efficiency as the golden angle if at least a minimum number of radial profiles is used for reconstruction. The suggested angular increments are applied for dynamic imaging of the heart and the temporomandibular joint. It is shown that for balanced SSFP sequences, trajectories using the smaller golden angle surrogates strongly reduce the image artifacts, while the free retrospective choice of the reconstruction window width is maintained. PMID:25532172

  20. Comparison of four magnetic resonance methods for mapping small temperature changes.

    PubMed

    Wlodarczyk, W; Hentschel, M; Wust, P; Noeske, R; Hosten, N; Rinneberg, H; Felix, R

    1999-02-01

    Non-invasive detection of small temperature changes (< 1 degree C) is pivotal to the further advance of regional hyperthermia as a treatment modality for deep-seated tumours. Magnetic resonance (MR) thermography methods are considered to be a promising approach. Four methods exploiting temperature-dependent parameters were evaluated in phantom experiments. The investigated temperature indicators were spin-lattice relaxation time T1, diffusion coefficient D, shift of water proton resonance frequency (water PRF) and resonance frequency shift of the methoxy group of the praseodymium complex (Pr probe). The respective pulse sequences employed to detect temperature-dependent signal changes were the multiple readout single inversion recovery (T One by Multiple Read Out Pulses; TOMROP), the pulsed gradient spin echo (PGSE), the fast low-angle shot (FLASH) with phase difference reconstruction, and the classical chemical shift imaging (CSI). Applying these sequences, experiments were performed in two separate and consecutive steps. In the first step, calibration curves were recorded for all four methods. In the second step, applying these calibration data, maps of temperature changes were generated and verified. With the equal total acquisition time of approximately 4 min for all four methods, the uncertainties of temperature changes derived from the calibration curves were less than 1 degree C (Pr probe 0.11 degrees C, water PRF 0.22 degrees C, D 0.48 degrees C and T1 0.93 degrees C). The corresponding maps of temperature changes exhibited slightly higher errors but still in the range or less than 1 degree C (0.97 degrees C, 0.41 degrees C, 0.70 degrees C, 1.06 degrees C respectively). The calibration results indicate the Pr probe method to be most sensitive and accurate. However, this advantage could only be partially transferred to the thermographic maps because of the coarse 16 x 16 matrix of the classical CSI sequence. Therefore, at present the water PRF method appears

  1. Magic angle spinning nuclear magnetic resonance apparatus and process for high-resolution in situ investigations

    SciTech Connect

    Hu, Jian Zhi; Sears, Jr., Jesse A.; Hoyt, David W.; Mehta, Hardeep S.; Peden, Charles H. F.

    2015-11-24

    A continuous-flow (CF) magic angle sample spinning (CF-MAS) NMR rotor and probe are described for investigating reaction dynamics, stable intermediates/transition states, and mechanisms of catalytic reactions in situ. The rotor includes a sample chamber of a flow-through design with a large sample volume that delivers a flow of reactants through a catalyst bed contained within the sample cell allowing in-situ investigations of reactants and products. Flow through the sample chamber improves diffusion of reactants and products through the catalyst. The large volume of the sample chamber enhances sensitivity permitting in situ .sup.13C CF-MAS studies at natural abundance.

  2. Size And Shape of Detergent Micelles Determined By Small-Angle X-Ray Scattering

    SciTech Connect

    Lipfert, Jan; Columbus, Linda; Chu, Vincent B.; Lesley, Scott A.; Doniach, Sebastian; /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept. /SLAC, SSRL /Pasteur Inst., Paris /Scripps Res. Inst. /Novartis Res. Found.

    2009-04-29

    We present a systematic analysis of the aggregation number and shape of micelles formed by nine detergents commonly used in the study of membrane proteins. Small-angle X-ray scattering measurements are reported for glucosides with 8 and 9 alkyl carbons (OG/NG), maltosides and phosphocholines with 10 and 12 alkyl carbons (DM/DDM and FC-10/FC-12), 1,2-dihexanoyl-sn-glycero-phosphocholine (DHPC), 1-palmitoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] (LPPG), and 3-[(3-cholamidopropyl)dimethylammonio]-1-propane sulfonate (CHAPS). The SAXS intensities are well described by two-component ellipsoid models, with a dense outer shell corresponding to the detergent head groups and a less electron dense hydrophobic core. These models provide an intermediate resolution view of micelle size and shape. In addition, we show that Guinier analysis of the forward scattering intensity can be used to obtain an independent and model-free measurement of the micelle aggregation number and radius of gyration. This approach has the advantage of being easily generalizable to protein-detergent complexes, where simple geometric models are inapplicable. Furthermore, we have discovered that the position of the second maximum in the scattering intensity provides a direct measurement of the characteristic head group-head group spacing across the micelle core. Our results for the micellar aggregation numbers and dimensions agree favorably with literature values as far as they are available. We de novo determine the shape of FC-10, FC-12, DM, LPPG, and CHAPS micelles and the aggregation numbers of FC-10 and OG to be ca. 50 and 250, respectively. Combined, these data provide a comprehensive view of the determinants of micelle formation and serve as a starting point to correlate detergent properties with detergent-protein interactions.

  3. Structure and properties of aqueous methylcellulose gels by small-angle neutron scattering.

    PubMed

    Chatterjee, Tirtha; Nakatani, Alan I; Adden, Roland; Brackhagen, Meinolf; Redwine, David; Shen, Hongwei; Li, Yongfu; Wilson, Tricia; Sammler, Robert L

    2012-10-01

    Cold, semidilute, aqueous solutions of methylcellulose (MC) are known to undergo thermoreversible gelation when warmed. This study focuses on two MC materials with much different gelation performance (gel temperature and hot gel modulus) even though they have similar metrics of their coarse-grained chemical structure (degree-of-methylether substitution and molecular weight distribution). Small-angle neutron scattering (SANS) experiments were conducted to probe the structure of the aqueous MC materials at pre- and postgel temperatures. One material (MC1, higher gel temperature) exhibited a single almost temperature-insensitive gel characteristic length scale (ζ(c) = 1090 ± 50 Å) at postgelation temperatures. This length scale is thought to be the gel blob size between network junctions. It also coincides with the length scale between entanglement sites measured with rheology studies at pregel temperatures. The other material (MC2, lower gel temperature) exhibited two distinct length scales at all temperatures. The larger length scale decreased as temperature increased. Its value (ζ(c1) = 1046 ± 19 Å) at the lowest pregel temperature was indistinguishable from that measured for MC1, and reached a limiting value (ζ(c1) = 450 ± 19 Å) at high temperature. The smaller length scale (ζ(c2) = 120 to 240 Å) increased slightly as temperature increased, but remained on the order of the chain persistence length (130 Å) measured at pregel temperatures. The smaller blob size (ζ(c1)) of MC2 suggests a higher bond energy or a stiffer connectivity between network junctions. Moreover, the number density of these blobs, at the same reduced temperature with respect to the gel temperature, is orders of magnitude higher for the MC2 gels. Presumably, the smaller gel length scale and higher number density lead to higher hot gel modulus for the low gel temperature material.

  4. Strategies for Choosing Descent Flight-Path Angles for Small Jets

    NASA Technical Reports Server (NTRS)

    Wu, Minghong Gilbert; Green, Steven M.

    2012-01-01

    Three candidate strategies for choosing the descent flight path angle (FPA) for small jets are proposed, analyzed, and compared for fuel efficiency under arrival metering conditions. The strategies vary in operational complexity from a universally fixed FPA, or FPA function that varies with descent speed for improved fuel efficiency, to the minimum-fuel FPA computed for each flight based on winds, route, and speed profile. Methodologies for selecting the parameter for the first two strategies are described. The differences in fuel burn are analyzed over a year s worth of arrival traffic and atmospheric conditions recorded for the Dallas/Fort Worth (DFW) Airport during 2011. The results show that the universally fixed FPA strategy (same FPA for all flights, all year) burns on average 26 lbs more fuel per flight as compared to the minimum-fuel solution. This FPA is adapted to the arrival gate (direction of entry to the terminal) and various timespans (season, month and day) to improve fuel efficiency. Compared to a typical FPA of approximately 3 degrees the adapted FPAs vary significantly, up to 1.3 from one arrival gate to another or up to 1.4 from one day to another. Adapting the universally fixed FPA strategy to the arrival gate or to each day reduces the extra fuel burn relative to the minimum-fuel solution by 27% and 34%, respectively. The adaptations to gate and time combined shows up to 57% reduction of the extra fuel burn. The second strategy, an FPA function, contributes a 17% reduction in the 26 lbs of extra fuel burn over the universally fixed FPA strategy. Compared to the corresponding adaptations of the universally fixed FPA, adaptations of the FPA function reduce the extra fuel burn anywhere from 15-23% depending on the extent of adaptation. The combined effect of the FPA function strategy with both directional and temporal adaptation recovers 67% of the extra fuel relative to the minimum-fuel solution.

  5. Signal, noise, and resolution in correlated fluctuations from snapshot small-angle x-ray scattering

    SciTech Connect

    Kirian, Richard A.; Schmidt, Kevin E.; Wang Xiaoyu; Doak, R. Bruce; Spence, John C. H.

    2011-07-15

    It has been suggested that the three-dimensional structure of one particle may be reconstructed using the scattering from many identical, randomly oriented copies ab initio, without modeling or a priori information. This may be possible if these particles are frozen in either space or time, so that the conventional two-dimensional small-angle x-ray scattering (SAXS) distribution contains fluctuations and is no longer isotropic. We consider the magnitude of the correlated fluctuation SAXS (CFSAXS) signal for typical x-ray free-electron laser (XFEL) beam conditions and compare this against the errors derived with the inclusion of Poisson photon counting statistics. The resulting signal-to-noise ratio (SNR) is found to rapidly approach a limit independent of the number of particles contributing to each diffraction pattern, so that the addition of more particles to a ''single-particle-per-shot'' experiment may be of little value, apart from reducing solvent background. When the scattering power is significantly less than one photon per particle per Shannon pixel, the SNR grows in proportion to incident flux. We provide simulations for protein molecules in support of these analytical results, and discuss the effects of solvent background scatter. We consider the SNR dependence on resolution and particle size, and discuss the application of the method to glasses and liquids, and the implications of more powerful XFELs, smaller focused beams, and higher pulse repetition rates for this approach. We find that an accurate CFSAXS measurement may be acquired to subnanometer resolution for protein molecules if a 9-keV beam containing 10{sup 13} photons is focused to a {approx}100-nm spot diameter, provided that the effects of solvent background can be reduced sufficiently.

  6. Metastable ripple phase of fully hydrated dipalmitoylphosphatidylcholine as studied by small angle x-ray scattering

    PubMed Central

    Yao, Haruhiko; Matuoka, Sinzi; Tenchov, Boris; Hatta, Ichiro

    1991-01-01

    Fully hydrated dipalmitoylphosphatidylcholine (DPPC) undergoes liquid crystalline to metastable Pβ, phase transition in cooling. A small angle x-ray scattering study has been performed for obtaining further evidence about the structure of this phase. From a high-resolution observation of x-ray diffraction profiles, a distinct multipeak pattern has become obvious. Among them the (01) reflection in the secondary ripple structure is identified clearly. There are peaks assigned straightforwardly to (10) and (20) reflections in the primary ripple structure and peaks assigned to (10) and (20) reflections in the secondary ripple structure. Therefore the multipeak pattern is due to superposition of the reflections cause by the primary and secondary ripple structures. The lattice parameters are estimated as follows: for the primary ripple structure a = 7.09 nm, b = 13.64 nm, and γ = 95°, and for the secondary ripple structure a = 8.2 nm, b = 26.6 nm, and γ = 90°. The lattice parameters thus obtained for the secondary ripple structure are not conclusive, however. The hydrocarbon chains in the primary ripple structure have been reported as being tilted against the bilayer plane and, on the other hand, the hydrocarbon chains in the secondary ripple structure are likely to be perpendicular to the bilayer plane. This fact seems to be related to a sequential mechanism of phase transitions. On heating from the Lβ, phase where the hydrocarbon chains are tilted the primary ripple structure having tilted hydrocarbon chains takes place and on cooling from the Lα phase where the hydrocarbon chains are not tilted the secondary ripple structure with untilted chains tends to be stabilized. It appears that the truly metastable ripple phase is expressed by the second ripple structure although in the course of the actual cooling transition both the secondary and primary ripple structures form and coexist. PMID:19431787

  7. Characterization of Sol-gel Encapsulated Proteins using Small-angle Neutron Scattering

    SciTech Connect

    Luo, Guangming; Zhang, Qiu; Del Castillo, Alexis Rae; Urban, Volker S; O'Neill, Hugh Michael

    2009-01-01

    Entrapment of biomolecules in silica-derived sol-gels has grown into a vibrant area of research since it was originally demonstrated. However, accessing the consequences of entrapment on biomolecules and the gel structure remains a major challenge in characterizing these biohybrid materials. We present the first demonstration that it is possible with small-angle neutron scattering (SANS) to study the conformation of dilute proteins that are entrapped in transparent and dense sol-gels. Using deuterium-labeled green fluorescent protein (GFP) and SANS with contrast variation, we demonstrate that the scattering signatures of the sol-gel and the protein can be separated. Analysis of the scattering curves of the sol-gels using a mass-fractal model shows that the size of the colloidal silica particles and the fractal dimensions of the gels were similar in the absence and presence of protein, demonstrating that GFP did not influence the reaction pathway for the formation of the gel. The major structural difference in the gels was that the pore size was increased 2-fold in the presence of the protein. At the contrast match point for silica, the scattering signal from GFP inside the gel became distinguishable over a wide q range. Simulated scattering curves representing a monomer, end-to-end dimer, and parallel dimer of the protein were calculated and compared to the experimental data. Our results show that the most likely structure of GFP is that of an end-to-end dimer. This approach can be readily applied and holds great potential for the structural characterization of complex biohybrid and other materials.

  8. Recent improvements in small angle x-ray diffraction for the study of muscle physiology

    NASA Astrophysics Data System (ADS)

    Reconditi, Massimo

    2006-10-01

    The molecular mechanism of muscle contraction is one of the most important unresolved problems in biology and biophysics. Notwithstanding the great advances of recent years, it is not yet known in detail how the molecular motor in muscle, the class II myosin, converts the free energy of ATP hydrolysis into work by interacting with its track, the actin filament; neither is it understood how the high efficiency in energy conversion depends on the cooperative action of myosin motors working in parallel along the actin filament. Research in muscle contraction involves the combination of mechanical, biochemical and structural methods in studies that span from tissue to single molecule. Therefore, more than for any other research field, progress in the comprehension of muscle contraction at the molecular level is related to, and in turn contributes to, the advancement of methods in biophysics. This review will focus on the progress achieved by time-resolved small angle x-ray scattering (SAXS) from muscle, an approach made possible by the highly ordered arrangement of both the contractile proteins myosin and actin in the ca 2 µm long structural unit, the sarcomere, that repeats along the whole length of the muscle cell. Among time-resolved structural techniques, SAXS has proved to be the most powerful method of investigation, as it allows the molecular motor to be studied in situ, in intact single muscle cells, where it is possible to combine the structural study with fast mechanical methods that synchronize the action of the molecular motors. The latest development of this technique allows Angstrom-scale measurements of the axial movement of the motors that pull the actin filament towards the centre of the sarcomere, by exploiting the x-ray interference between the two arrays of myosin motors in the two halves of the sarcomere.

  9. Structural characterization of the human cerebral myelin sheath by small angle x-ray scattering.

    PubMed

    De Felici, M; Felici, R; Ferrero, C; Tartari, A; Gambaccini, M; Finet, S

    2008-10-21

    Myelin is a multi-lamellar membrane surrounding neuronal axons and increasing their conduction velocity. When investigated by small-angle x-ray scattering (SAXS), the lamellar quasi-periodical arrangement of the myelin sheath gives rise to distinct peaks, which allow the determination of its molecular organization and the dimensions of its substructures. In this study we report on the myelin sheath structural determination carried out on a set of human brain tissue samples coming from surgical biopsies of two patients: a man around 60 and a woman nearly 90 years old. The samples were extracted either from white or grey cerebral matter and did not undergo any manipulation or chemical-physical treatment, which could possibly have altered their structure, except dipping them into a formalin solution for their conservation. Analysis of the scattered intensity from white matter of intact human cerebral tissue allowed the evaluation not only of the myelin sheath periodicity but also of its electronic charge density profile. In particular, the thicknesses of the cytoplasm and extracellular regions were established, as well as those of the hydrophilic polar heads and hydrophobic tails of the lipid bilayer. SAXS patterns were measured at several locations on each sample in order to establish the statistical variations of the structural parameters within a single sample and among different samples. This work demonstrates that a detailed structural analysis of the myelin sheath can also be carried out in randomly oriented samples of intact human white matter, which is of importance for studying the aetiology and evolution of the central nervous system pathologies inducing myelin degeneration. PMID:18812651

  10. Structural characterization of the human cerebral myelin sheath by small angle x-ray scattering

    NASA Astrophysics Data System (ADS)

    DeFelici, M.; Felici, R.; Ferrero, C.; Tartari, A.; Gambaccini, M.; Finet, S.

    2008-10-01

    Myelin is a multi-lamellar membrane surrounding neuronal axons and increasing their conduction velocity. When investigated by small-angle x-ray scattering (SAXS), the lamellar quasi-periodical arrangement of the myelin sheath gives rise to distinct peaks, which allow the determination of its molecular organization and the dimensions of its substructures. In this study we report on the myelin sheath structural determination carried out on a set of human brain tissue samples coming from surgical biopsies of two patients: a man around 60 and a woman nearly 90 years old. The samples were extracted either from white or grey cerebral matter and did not undergo any manipulation or chemical-physical treatment, which could possibly have altered their structure, except dipping them into a formalin solution for their conservation. Analysis of the scattered intensity from white matter of intact human cerebral tissue allowed the evaluation not only of the myelin sheath periodicity but also of its electronic charge density profile. In particular, the thicknesses of the cytoplasm and extracellular regions were established, as well as those of the hydrophilic polar heads and hydrophobic tails of the lipid bilayer. SAXS patterns were measured at several locations on each sample in order to establish the statistical variations of the structural parameters within a single sample and among different samples. This work demonstrates that a detailed structural analysis of the myelin sheath can also be carried out in randomly oriented samples of intact human white matter, which is of importance for studying the aetiology and evolution of the central nervous system pathologies inducing myelin degeneration.

  11. Small-Angle X-ray Study of the Three-Dimensional Collagen/Mineral Superstructure in Intramuscular Fish Bone

    SciTech Connect

    Zhou,H.; Burger, C.; Sics, I.; Hsiao, B.; Chu, B.; Graham, L.; Glimcher, M.

    2007-01-01

    Synchrotron small-angle X-ray scattering (SAXS) was conducted on native intramuscular shad/herring bone samples. Two-dimensional SAXS patterns were quantitatively analyzed with special consideration for preferred orientation effects, leading to new insights into the three-dimensional superstructure of mineralized collagen fibrils in shad/herring bone.

  12. Studies of protein structure in solution and protein folding using synchrotron small-angle x-ray scattering

    SciTech Connect

    Chen, Lingling

    1996-04-01

    Synchrotron small angle x-ray scattering (SAXS) has been applied to the structural study of several biological systems, including the nitrogenase complex, the heat shock cognate protein (hsc70), and lysozyme folding. The structural information revealed from the SAXS experiments is complementary to information obtained by other physical and biochemical methods, and adds to our knowledge and understanding of these systems.

  13. Structural behaviour of mixed cationic surfactant micelles: a small-angle neutron scattering study.

    PubMed

    Bergström, L Magnus; Garamus, Vasil M

    2012-09-01

    Self-assembly in mixtures of two single-chain cationic surfactants, with different tail lengths (CTAB and DTAB) as well as of a single-chain (DTAB) and a double-chain (DDAB) cationic surfactant, with identical tail lengths, have been investigated with small-angle neutron scattering (SANS) and rationalised in terms of bending elasticity properties. The growth behaviour of micelles with respect to surfactant composition appears completely different in the two surfactant mixtures. DTAB form small oblate spheroidal micelles in presence of [NaBr]=0.1 M that transform into prolate spheroidal mixed CTAB/DTAB micelles upon adding moderate amounts of CTAB, so as to give a mole fraction y=0.20 in solution. Most unexpectedly, upon further addition of CTAB the mixed CTAB/DTAB micelles grow with an almost equal rate in both length and width directions to form tablets. In contrast to this behaviour, mixed DDAB/DTAB micelles grow virtually exclusively in the length direction, in presence of [NaBr]=0.1 M, to form elongated ellipsoidal (tablet-shaped) and subsequently long wormlike micelles as the fraction of DDAB in the micelles increases. Mixed DDAB/DTAB micelles grow to become as long as 2000Å before an abrupt transition to large bilayer structures occurs. This means that the micelles are much longer at the micelle-to-bilayer transition as compared to the same mixture in absence of added salt. It is found that the point of transition from micelles to bilayers is significantly shifted towards higher fractions of aggregated DTAB as an appreciable amount of salt is added to DDAB/DTAB mixtures, indicating a considerable reduction of the spontaneous curvature with an increasing [NaBr]. By means of deducing the various bending elasticity constants from our experimental results, according to a novel approach by ours, we are able to conclude that the different growth behaviours appear as a consequence of a considerably lower bending rigidity, as well as higher saddle-splay constant

  14. Magnetic resonance imaging of DNP enhancements in a rotor spinning at the magic angle.

    PubMed

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

    2016-03-01

    Simulations performed on model, static, samples have shown that the microwave power is non-uniformly distributed in the magic angle spinning (MAS) rotor when using conventional dynamic nuclear polarization (DNP) instrumentation. Here, we applied the stray-field magic angle spinning imaging (STRAFI-MAS) experiment to generate a spatial map of the DNP enhancements in a full rotor, which is spun at a low rate in a commercial DNP-MAS NMR system. Notably, we observed that the enhancement factors produced in the center of the rotor can be twice as large as those produced at the top of the rotor. Surprisingly, we observed that the largest enhancement factors are observed along the axis of the rotor as opposed to against its walls, which are most directly irradiated by the microwave beam. We lastly observed that the distribution of enhancement factors can be moderately improved by degassing the sample and increasing the microwave power. The inclusion of dielectric particles greatly amplifies the enhancement factors throughout the rotor. The STRAFI-MAS approach can provide useful guidance for optimizing the access of microwave power to the sample, and thereby lead to further increases in sensitivity of DNP-MAS NMR. PMID:26920838

  15. Magnetic resonance imaging of DNP enhancements in a rotor spinning at the magic angle.

    PubMed

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

    2016-03-01

    Simulations performed on model, static, samples have shown that the microwave power is non-uniformly distributed in the magic angle spinning (MAS) rotor when using conventional dynamic nuclear polarization (DNP) instrumentation. Here, we applied the stray-field magic angle spinning imaging (STRAFI-MAS) experiment to generate a spatial map of the DNP enhancements in a full rotor, which is spun at a low rate in a commercial DNP-MAS NMR system. Notably, we observed that the enhancement factors produced in the center of the rotor can be twice as large as those produced at the top of the rotor. Surprisingly, we observed that the largest enhancement factors are observed along the axis of the rotor as opposed to against its walls, which are most directly irradiated by the microwave beam. We lastly observed that the distribution of enhancement factors can be moderately improved by degassing the sample and increasing the microwave power. The inclusion of dielectric particles greatly amplifies the enhancement factors throughout the rotor. The STRAFI-MAS approach can provide useful guidance for optimizing the access of microwave power to the sample, and thereby lead to further increases in sensitivity of DNP-MAS NMR.

  16. Magnetic resonance imaging of DNP enhancements in a rotor spinning at the magic angle

    DOE PAGES

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

    2016-02-23

    Simulations performed on model, static, samples have shown that the microwave power is non-uniformly distributed in the magic angle spinning (MAS) rotor when using conventional dynamic nuclear polarization (DNP) instrumentation. Here, we applied the stray-field magic angle spinning imaging (STRAFI–MAS) experiment to generate a spatial map of the DNP enhancements in a full rotor, which is spun at a low rate in a commercial DNP–MAS NMR system. Notably, we observed that the enhancement factors produced in the center of the rotor can be twice as large as those produced at the top of the rotor. Surprisingly, we observed that themore » largest enhancement factors are observed along the axis of the rotor as opposed to against its walls, which are most directly irradiated by the microwave beam. We lastly observed that the distribution of enhancement factors can be moderately improved by degassing the sample and increasing the microwave power. The inclusion of dielectric particles greatly amplifies the enhancement factors throughout the rotor. Furthermore, the STRAFI–MAS approach can provide useful guidance for optimizing the access of microwave power to the sample, and thereby lead to further increases in sensitivity of DNP–MAS NMR.« less

  17. Experimental Resonance Enhanced Multiphoton Ionization (REMPI) studies of small molecules

    NASA Technical Reports Server (NTRS)

    Dehmer, J. L.; Dehmer, P. M.; Pratt, S. T.; Ohalloran, M. A.; Tomkins, F. S.

    1987-01-01

    Resonance enhanced multiphoton ionization (REMPI) utilizes tunable dye lasers to ionize an atom or molecule by first preparing an excited state by multiphoton absorption and then ionizing that state before it can decay. This process is highly selective with respect to both the initial and resonant intermediate states of the target, and it can be extremely sensitive. In addition, the products of the REMPI process can be detected as needed by analyzing the resulting electrons, ions, fluorescence, or by additional REMPI. This points to a number of exciting opportunities for both basic and applied science. On the applied side, REMPI has great potential as an ultrasensitive, highly selective detector for trace, reactive, or transient species. On the basic side, REMPI affords an unprecedented means of exploring excited state physics and chemistry at the quantum-state-specific level. An overview of current studies of excited molecular states is given to illustrate the principles and prospects of REMPI.

  18. Design and fabrication of an angle-scanning based platform for the construction of surface plasmon resonance biosensor

    NASA Astrophysics Data System (ADS)

    Hu, Jiandong; Cao, Baiqiong; Wang, Shun; Li, Jianwei; Wei, Wensong; Zhao, Yuanyuan; Hu, Xinran; Zhu, Juanhua; Jiang, Min; Sun, Xiaohui; Chen, Ruipeng; Ma, Liuzheng

    2016-03-01

    A sensing system for an angle-scanning optical surface-plasmon-resonance (SPR) based biosensor has been designed with a laser line generator in which a P polarizer is embedded to utilize as an excitation source for producing the surface plasmon wave. In this system, the emitting beam from the laser line generator is controlled to realize the angle-scanning using a variable speed direct current (DC) motor. The light beam reflected from the prism deposited with a 50 nm Au film is then captured using the area CCD array which was controlled by a personal computer (PC) via a universal serial bus (USB) interface. The photoelectric signals from the high speed digital camera (an area CCD array) were converted by a 16 bit A/D converter before it transferred to the PC. One of the advantages of this SPR biosensing platform is greatly demonstrated by the label-free and real-time bio-molecular analysis without moving the area CCD array by following the laser line generator. It also could provide a low-cost surface plasmon resonance platform to improve the detection range in the measurement of bioanalytes. The SPR curve displayed on the PC screen promptly is formed by the effective data from the image on the area CCD array and the sensing responses of the platform to bulk refractive indices were calibrated using various concentrations of ethanol solution. These ethanol concentrations indicated with volumetric fraction of 5%, 10%, 15%, 20%, and 25%, respectively, were experimented to validate the performance of the angle-scanning optic SPR biosensing platform. As a result, the SPR sensor was capable to detect a change in the refractive index of the ethanol solution with the relative high linearity at the correlation coefficient of 0.9842. This greatly enhanced detection range is obtained from the position relationship between the laser line generator and the right-angle prism to allow direct quantification of the samples over a wide range of concentrations.

  19. Application of advanced shearing techniques to the calibration of autocollimators with small angle generators and investigation of error sources.

    PubMed

    Yandayan, T; Geckeler, R D; Aksulu, M; Akgoz, S A; Ozgur, B

    2016-05-01

    The application of advanced error-separating shearing techniques to the precise calibration of autocollimators with Small Angle Generators (SAGs) was carried out for the first time. The experimental realization was achieved using the High Precision Small Angle Generator (HPSAG) of TUBITAK UME under classical dimensional metrology laboratory environmental conditions. The standard uncertainty value of 5 mas (24.2 nrad) reached by classical calibration method was improved to the level of 1.38 mas (6.7 nrad). Shearing techniques, which offer a unique opportunity to separate the errors of devices without recourse to any external standard, were first adapted by Physikalisch-Technische Bundesanstalt (PTB) to the calibration of autocollimators with angle encoders. It has been demonstrated experimentally in a clean room environment using the primary angle standard of PTB (WMT 220). The application of the technique to a different type of angle measurement system extends the range of the shearing technique further and reveals other advantages. For example, the angular scales of the SAGs are based on linear measurement systems (e.g., capacitive nanosensors for the HPSAG). Therefore, SAGs show different systematic errors when compared to angle encoders. In addition to the error-separation of HPSAG and the autocollimator, detailed investigations on error sources were carried out. Apart from determination of the systematic errors of the capacitive sensor used in the HPSAG, it was also demonstrated that the shearing method enables the unique opportunity to characterize other error sources such as errors due to temperature drift in long term measurements. This proves that the shearing technique is a very powerful method for investigating angle measuring systems, for their improvement, and for specifying precautions to be taken during the measurements.

  20. Ultrathin metal-semiconductor-metal resonator for angle invariant visible band transmission filters

    SciTech Connect

    Lee, Kyu-Tae; Seo, Sungyong; Yong Lee, Jae; Jay Guo, L.

    2014-06-09

    We present transmission visible wavelength filters based on strong interference behaviors in an ultrathin semiconductor material between two metal layers. The proposed devices were fabricated on 2 cm × 2 cm glass substrate, and the transmission characteristics show good agreement with the design. Due to a significantly reduced light propagation phase change associated with the ultrathin semiconductor layer and the compensation in phase shift of light reflecting from the metal surface, the filters show an angle insensitive performance up to ±70°, thus, addressing one of the key challenges facing the previously reported photonic and plasmonic color filters. This principle, described in this paper, can have potential for diverse applications ranging from color display devices to the image sensors.

  1. Human soleus muscle architecture at different ankle joint angles from magnetic resonance diffusion tensor imaging

    PubMed Central

    Sinha, Usha; Hodgson, John A.; Edgerton, Reggie V.

    2011-01-01

    The orientation of muscle fibers influences the physiological cross-sectional area, the relationship between fiber shortening and aponeurosis shear, and the total force produced by the muscle. Such architectural parameters are challenging to determine particularly in vivo in multicompartment structures such as the human soleus with a complex arrangement of muscle fibers. The objective of this study was to map the fiber architecture of the human soleus in vivo at rest in both neutral and plantarflexed ankle positions using an MRI-based method of diffusion tensor imaging (DTI). Six subjects were imaged at 3 Tesla with the foot at rest in the two ankle positions. Eigenvalues, fractional anisotropy (FA), and eigenvector orientations of fibers in the different soleus subcompartments were evaluated after denoising of the diffusion tensor. The fiber architecture from DTI was similar to earlier studies based on a 3D fiber model from cadavers. The three eigenvalues of the diffusion tensor increased by ∼14% on increasing the joint plantarflexion angle in all of the soleus subcompartments, whereas FA showed a trend to decrease in the posterior and marginal soleus and to increase in the anterior soleus. The angle change in the lead eigenvector between the two foot positions was significant: ∼41° for the posterior soleus and ∼48° for the anterior soleus. Fibers tracked from the subcompartments support these changes seen in the eigenvector orientations. DTI-derived, subject-specific, muscle morphological data could potentially be used to model a more complete description of muscle performance and changes from disease. PMID:21164150

  2. Origin of recombination activity at small angle grain boundaries in multicrystalline silicon using multi-seed casting growth method

    NASA Astrophysics Data System (ADS)

    Kojima, Takuto; Tachibana, Tomihisa; Ohshita, Yoshio; Prakash, Ronit R.; Sekiguchi, Takashi; Yamaguchi, Masafumi

    2015-08-01

    The effect of misorientation on the recombination activity of tilt small angle grain boundaries was studied by temperature-dependent electron beam induced current (EBIC) analyses of artificially induced grain boundaries in multicrystal grown by casting from multiple seeds. For small misorientation, there is no significant difference in the recombination of grain boundaries at the middle of a grown ingot, whereas moderate contamination on grain boundaries caused changes in the EBIC contrast, especially at room temperature. The EBIC contrast of moderately contaminated grain boundaries at room temperature has a peak at a misorientation of ∼3°, and for misorientation θ > 6°, the recombinative nature diminishes with increasing misorientation. The results indicate differences in the gettering ability of small angle grain boundaries.

  3. (1)H and (13)C magic-angle spinning nuclear magnetic resonance studies of the chicken eggshell.

    PubMed

    Pisklak, Dariusz Maciej; Szeleszczuk, Lukasz; Wawer, Iwona

    2012-12-19

    The chicken eggshell, a product of biomineralization, contains inorganic and organic substances whose content changes during the incubation process. Bloch-decay (BD) (1)H, (13)C, and cross-polarization (CP) (13)C nuclear magnetic resonance (NMR) spectra of chicken eggshells were acquired under magic-angle spinning (MAS). Variable contact time (13)C CP MAS NMR experiments revealed the signals of carbonyl groups from organic and inorganic compounds. In the (13)C BD NMR spectra, a single peak at 168.1 ppm was detected, whereas in the (1)H BD spectra, the signals from water and the bicarbonate ion were assigned. A simultaneous decrease of the water signal in the (1)H MAS NMR spectra and an increase of the carbonate ion signal in the (13)C CP MAS NMR spectra of eggshells collected during the incubation period indicate the substitution of calcium ions by hydrogen ions in the calcium carbonate crystalline phase during the incubation of an egg.

  4. Synergy between cellulolytic enzymes during the biodegradation of cellulose microfibrils measured using angle-scanning surface plasmon resonance (SPR) imaging

    NASA Astrophysics Data System (ADS)

    Raegen, Adam; Dion, Alexander; Reiter, Kyle; Clarke, Anthony; Lipkowski, Jacek; Dutcher, John

    2014-03-01

    The use of cellulosic ethanol, a promising emerging energy source, is limited by the energy intensive and costly step of first converting the cellulose fibers into their constituent glucose monomers. Industrial processes mimic those that occur in nature, using mixtures or ``cocktails'' of different classes of cellulolytic enzymes derived from fungi. Despite several decades of investigation, the molecular mechanisms for enzyme synergy remain poorly understood. To gain additional insight, we have used a custom angle-scanning surface plasmon resonance (SPR) imaging apparatus to obtain a sensitive measure of enzymatic degradation. By implementing a novel SPR data analysis procedure, we have been able to track the thickness and roughness of laterally heterogeneous cellulose microfibril-coated substrates as enzymatic degradation proceeds. This has allowed us to measure the synergistic actions of the different enzymes, providing data that are directly relevant to the cellulosic ethanol industry.

  5. Ultra small angle x-ray scattering in complex mixtures of triacylglycerols

    NASA Astrophysics Data System (ADS)

    Peyronel, Fernanda; Quinn, Bonnie; Marangoni, Alejandro G.; Pink, David A.

    2014-11-01

    Ultra-small angle x-ray scattering (USAXS) has been used to elucidate, in situ, the aggregation structure of unsheared model edible oils. Each system comprised one or two solid lipids and a combination of liquid lipids. The 3D nano- to micro-structures of each system were characterized. The length scale investigated, using the Bonse-Hart camera at beamline ID-15D at the Advanced Photon Source, ANL, ranged from 300 Å-10 µm. Using the Unified Fit model, level-1 analysis showed that the scatterers were 2D objects with either a smooth, a rough, or a diffuse surface. These 2D objects had an average radius of gyration Rg1 between 200-1500 Å. Level-2 analysis displayed a slope between -1 and -2. Use of the Guinier-Porod model gave s ≈ 1 thus showing that it was cylinders (TAGwoods) aggregating with fractal dimension 1 ≤ D2 ≤ 2. D2 = 1 is consistent with 1D structures formed from TAGwoods, while D2 = 2 implies that the TAGwoods had formed structures characteristic of diffusion or reaction limited cluster-cluster aggregation (DLCA/RLCA). These aggregates exhibited radii of gyration, Rg2, between 2500 and 6500 Å. Level-3 analyses showed diffuse surfaces, for most of the systems. These interpretations are in accord with theoretical models which studied crystalline nano-platelets (CNPs) coated with nano-scale layers arising from phase separation at the CNP surfaces. These layers could be due to either liquid-liquid phase separation with the CNPs coated, uniformly or non-uniformly, by a diffuse layer of TAGs, or solid-liquid phase separation with the CNPs coated by a rough layer of crystallites. A fundamental understanding of the self-organizing structures arising in these systems helps advance the characterization of fat crystal networks from nanometres to micrometres. This research can be used to design novel fat structures that use healthier fats via nano- and meso-scale structural engineering.

  6. Anomalous small angle x-ray scattering studies of amorphous metal-germanium alloys

    SciTech Connect

    Rice, M.

    1993-12-01

    This dissertation addresses the issue of composition modulation in sputtered amorphous metal-germanium thin films with the aim of understanding the intermediate range structure of these films as a function of composition. The investigative tool used in this work is anomalous small-angle X-ray scattering (ASAXS). The primary focus of this investigation is the amorphous iron-germanium (a-Fe{sub x}Ge{sub 100-x}) system with particular emphasis on the semiconductor-rich regime. Brief excursions are made into the amorphous tungsten-germanium (a-W{sub x}Ge{sub 100-x}) and the amorphous molybdenum-germanium (a-Mo{sub x}Ge{sub 100-x}) systems. All three systems exhibit an amorphous structure over a broad composition range extending from pure amorphous germanium to approximately 70 atomic percent metal when prepared as sputtered films. Across this composition range the structures change from the open, covalently bonded, tetrahedral network of pure a-Ge to densely packed metals. The structural changes are accompanied by a semiconductor-metal transition in all three systems as well as a ferromagnetic transition in the a-Fe{sub x}Ge{sub 100-x} system and a superconducting transition in the a-Mo{sub x}Ge{sub 100-x} system. A long standing question, particularly in the a-Fe{sub x}Ge{sub 100-x} and the a-Mo{sub x}Ge{sub 100-x} systems, has been whether the structural changes (and therefore the accompanying electrical and magnetic transitions) are accomplished by homogeneous alloy formation or phase separation. The application of ASAXS to this problem proves unambiguously that fine scale composition modulations, as distinct from the simple density fluctuations that arise from cracks and voids, are present in the a-Fe{sub x}Ge{sub 100-x}, a-W{sub x}Ge{sub 100-x}, and a-Mo{sub x}Ge{sub 100-x} systems in the semiconductor-metal transition region. Furthermore, ASAXS shows that germanium is distributed uniformly throughout each sample in the x<25 regime of all three systems.

  7. Initial characterization of mudstone nanoporosity with small angle neutron scattering using caprocks from carbon sequestration sites.

    SciTech Connect

    McCray, John; Navarre-Sitchler, Alexis; Mouzakis, Katherine; Heath, Jason E.; Dewers, Thomas A.; Rother, Gernot

    2010-11-01

    Geological carbon sequestration relies on the principle that CO{sub 2} injected deep into the subsurface is unable to leak to the atmosphere. Structural trapping by a relatively impermeable caprock (often mudstone such as a shale) is the main trapping mechanism that is currently relied on for the first hundreds of years. Many of the pores of the caprock are of micrometer to nanometer scale. However, the distribution, geometry and volume of porosity at these scales are poorly characterized. Differences in pore shape and size can cause variation in capillary properties and fluid transport resulting in fluid pathways with different capillary entry pressures in the same sample. Prediction of pore network properties for distinct geologic environments would result in significant advancement in our ability to model subsurface fluid flow. Specifically, prediction of fluid flow through caprocks of geologic CO{sub 2} sequestration reservoirs is a critical step in evaluating the risk of leakage to overlying aquifers. The micro- and nanoporosity was analyzed in four mudstones using small angle neutron scattering (SANS). These mudstones are caprocks of formations that are currently under study or being used for carbon sequestration projects and include the Marine Tuscaloosa Group, the Lower Tuscaloosa Group, the upper and lower shale members of the Kirtland Formation, and the Pennsylvanian Gothic shale. Total organic carbon varies from <0.3% to 4% by weight. Expandable clay contents range from 10% to {approx}40% in the Gothic shale and Kirtland Formation, respectively. Neutrons effectively scatter from interfaces between materials with differing scattering length density (i.e. minerals and pores). The intensity of scattered neutrons, I(Q), where Q is the scattering vector, gives information about the volume of pores and their arrangement in the sample. The slope of the scattering data when plotted as log I(Q) vs. log Q provides information about the fractality or geometry of

  8. Resonant tunneling in small current-biased Josephson Junctions

    SciTech Connect

    Schmidt, J.M.

    1994-05-01

    Effects of resonant tunneling between bound quantum states of a current-biased Josephson tunnel junction is studied both theoretically and experimentally. Several effects are predicted to arise from resonant tunneling, including a series of voltage peaks along the supercurrent branch of the current-voltage characteristic, and enhanced rate of escape from zero voltage state to voltage state at particular values of bias current. A model is developed to estimate magnitude and duration of voltage peaks, and to estimate enhancement of the escape rate, which appears as peaks in the rate as a function of bias current. An experimental investigation was carried out in an attempt to observe these predicted peaks in the escape rate distribution in a current-biased DC SQUID, which is shown to be dynamically equivalent to a Josephson junction with adjustable critical current. Electrical contact to each SQUID (fabricated from aluminium) was made through high resistance thin film leads located on the substrate. These resistors provided a high impedance at the plasma frequency which is for the isolation of the SQUID from its electromagnetic environment. Measurements were carried out on a dilution refrigerator at temperatures as low as 19 mK. No evidence was found for resonant tunneling; this is attributed to effective temperatures of hundreds of millikelvin. The behavior is well explained by a heating model where the high effective temperatures are generated by ohmic heating of the electron gas of the isolation resistors, which decouples from the phonon system (hot electron effect). The prospects for further theoretical and experimental research are discussed.

  9. The development of multi incident angles and multi points measurement phase image interrogation surface plasmon resonance system

    NASA Astrophysics Data System (ADS)

    Liao, Jyun; Lee, Shu-Sheng; Lin, Shih-Yuan

    2015-05-01

    Surface plasmon resonance (SPR) is one of the recent applied technologies in bio-medical detection, and it is gradually accepted by the researchers. However, it is still not adopted widely and needs more efforts to improve. In our research work, a previous developed phase interrogation SPR detection system is modified and the concept of multi-incident angles of detecting light is used for obtaining more data. Besides, using the focusing characteristic of a cylindrical elliptic reflective mirror to have more than one measuring areas, and this can provide a control reaction accompanied with the experimental reaction on the chip at the same time. The phase variation of the sample variation with different detecting incident angle can provide more data and can reduce the errors, increase the resolution, and raise the detection ability. To acquire the inference fringes images of the phase, the time-stepped quadrature phase shifting method has been introduced, which required fewer images to retrieve the phase than the five-stepped phase shifting method. The data processing time can be reduced and our system would have the potential to measure the reaction in real-time. Finally, sodium chloride-water solution and Ethanol-water solution in different concentration has been measured to verify our system is workable.

  10. Resonance Assignments and Secondary Structure Analysis of Dynein Light Chain 8 by Magic-angle Spinning NMR Spectroscopy

    SciTech Connect

    Sun, Shangjin; Butterworth, Andrew H.; Paramasivam, Sivakumar; Yan, Si; Lightcap, Christine M.; Williams, John C.; Polenova, Tatyana E.

    2011-08-04

    Dynein light chain LC8 is the smallest subunit of the dynein motor complex and has been shown to play important roles in both dynein-dependent and dynein-independent physiological functions via its interaction with a number of its binding partners. It has also been linked to pathogenesis including roles in viral infections and tumorigenesis. Structural information for LC8-target proteins is critical to understanding the underlying function of LC8 in these complexes. However, some LC8-target interactions are not amenable to structural characterization by conventional structural biology techniques owing to their large size, low solubility, and crystallization difficulties. Here, we report magic-angle spinning (MAS) NMR studies of the homodimeric apo-LC8 protein as a first effort in addressing more complex, multi-partner, LC8-based protein assemblies. We have established site-specific backbone and side-chain resonance assignments for the majority of the residues of LC8, and show TALOS+-predicted torsion angles ø and ψ in close agreement with most residues in the published LC8 crystal structure. Data obtained through these studies will provide the first step toward using MAS NMR to examine the LC8 structure, which will eventually be used to investigate protein–protein interactions in larger systems that cannot be determined by conventional structural studies.

  11. Resonance Assignments and Secondary Structure Analysis of Dynein Light Chain 8 by Magic Angle Spinning NMR Spectroscopy

    PubMed Central

    Sun, Shangjin; Butterworth, Andrew H.; Paramasivam, Sivakumar; Yan, Si; Lightcap, Christine M.; Williams, John C.; Polenova, Tatyana

    2012-01-01

    Dynein light chain LC8 is the smallest subunit of the dynein motor complex and has been shown to play important roles in both dynein dependent and dynein independent physiological functions via its interaction with a number of its binding partners. It has also been linked to pathogenesis including roles in viral infections and tumorigenesis. Structural information for LC8-target proteins is critical to understanding the underlying function of LC8 in these complexes. However, some LC8-target interactions are not amenable for structural characterization by conventional structural biology techniques due to their large size, low solubility and crystallization difficulties. Here, we report magic angle spinning (MAS) NMR studies of the homodimeric apo-LC8 protein as a first effort in addressing more complex, multi-partner LC8-based protein assemblies. We have established site-specific backbone and side chain resonance assignments for the majority of the residues of LC8, and show TALOS+ predicted torsion angles ϕ and ψ in close agreement with most residues in the published LC8 crystal structure. Data obtained through these studies will provide the first step toward using MAS NMR to examine the LC8 structure, which will eventually be used to investigate protein-protein interactions in larger systems, which cannot be determined by conventional structural studies. PMID:23243318

  12. Scalar resonance effects on the B{sub s}-B{sub s} mixing angle

    SciTech Connect

    Leitner, O.; Dedonder, J.-P.; Loiseau, B.; El-Bennich, B.

    2010-10-01

    The B{sub s}{sup 0{yields}}J/{psi}{phi} and B{sub s}{sup 0{yields}}J/{psi}f{sub 0}(980) decays are analyzed within generalized QCD factorization including all leading-order corrections in {alpha}{sub s}: We point out that the ratio of our calculated widths, {Gamma}(B{sub s}{sup 0{yields}}J/{psi}f{sub 0}(980), f{sub 0}(980){yields}{pi}{sup +{pi}-})/{Gamma}(B{sub s}{sup 0{yields}}J/{psi}{phi},{phi}{yields}K{sup +}K{sup -}), strongly indicates that S-wave effects in the f{sub 0}(980)'s daughter pions or kaons cannot be ignored in the extraction of the B{sub s}-B{sub s} mixing angle, -2{beta}{sub s}, from the B{sub s}{sup 0{yields}{phi}}J/{psi} decay amplitudes.

  13. Small-Angle and Ultrasmall-Angle Neutron Scattering (SANS/USANS) Study of New Albany Shale: A Treatise on Microporosity

    SciTech Connect

    Bahadur, Jitendra; Radlinski, Andrzej P.; Melnichenko, Yuri B.; Mastalerz, Maria; Schimmelmann, Arndt

    2014-12-17

    We applied small-angle neutron scattering (SANS) and ultrasmall-angle neutron scattering (USANS) techniques to study the microstructure of several New Albany shales of different maturity. It has been established that the total porosity decreases with maturity and increases somewhat for post-mature samples. A new method of SANS data analysis was developed, which allows the extraction of information about the size range and number density of micropores from the relatively flat scattering intensity observed in the limit of the large scattering vector Q. Macropores and significant number of mesopores are surface fractals, and their structure can be described in terms of the polydisperse spheres (PDSP) model. The model-independent Porod invariant method was employed to estimate total porosity, and the results were compared with the PDSP model results. It has been demonstrated that independent evaluation of incoherent background is crucial for accurate interpretation of the scattering data in the limit of large Q-values. Moreover, pore volumes estimated by the N2 and CO2 adsorption, as well as via the mercury intrusion technique, have been compared with those measured by SANS/USANS, and possible reasons for the observed discrepancies are discussed.

  14. Small-Angle and Ultrasmall-Angle Neutron Scattering (SANS/USANS) Study of New Albany Shale: A Treatise on Microporosity

    DOE PAGES

    Bahadur, Jitendra; Radlinski, Andrzej P.; Melnichenko, Yuri B.; Mastalerz, Maria; Schimmelmann, Arndt

    2014-12-17

    We applied small-angle neutron scattering (SANS) and ultrasmall-angle neutron scattering (USANS) techniques to study the microstructure of several New Albany shales of different maturity. It has been established that the total porosity decreases with maturity and increases somewhat for post-mature samples. A new method of SANS data analysis was developed, which allows the extraction of information about the size range and number density of micropores from the relatively flat scattering intensity observed in the limit of the large scattering vector Q. Macropores and significant number of mesopores are surface fractals, and their structure can be described in terms of themore » polydisperse spheres (PDSP) model. The model-independent Porod invariant method was employed to estimate total porosity, and the results were compared with the PDSP model results. It has been demonstrated that independent evaluation of incoherent background is crucial for accurate interpretation of the scattering data in the limit of large Q-values. Moreover, pore volumes estimated by the N2 and CO2 adsorption, as well as via the mercury intrusion technique, have been compared with those measured by SANS/USANS, and possible reasons for the observed discrepancies are discussed.« less

  15. Small-angle and wide-angle X-ray scattering study on the bilayer structure of synthetic and bovine heart cardiolipins

    NASA Astrophysics Data System (ADS)

    Takahashi, Hiroshi; Hayakawa, Tomohiro; Ito, Kazuki; Takata, Masaki; Kobayashi, Toshihide

    2010-10-01

    Cardiolipin (CL) is a membrane phospholipid containing four fatty acid chains. CL plays an important role in energy transformation in mitochondria. The disorder of CL biosynthesis is involved in a genetic disease, Barth syndrome. Alteration of fatty acid composition of CLs has been found in Barth syndrome patients, i.e., the decrease of unsaturated fatty acid chains. In this study, we investigated how the degree of saturation alters the structure of CL bilayers by using X-ray scattering. Bovine heart CL and two synthetic CLs were compared. Fatty acid compositions of these three CLs have different saturation. Small-angle X-ray scattering data showed that the decrease of the number of double bonds in the unsaturated fatty acid chains causes to thicken the CL bilayers. In addition, wide-angle X-ray scattering data suggested that the decrease reduces the degree of disorder of the hydrophobic region in a liquid crystalline phase. These results may be related to the dysfunction of mitochondria in Barth syndrome.

  16. Tunable angle-independent refractive index sensor based on Fano resonance in integrated metal and graphene nanoribbons

    PubMed Central

    Pan, Meiyan; Liang, Zhaoxing; Wang, Yu; Chen, Yihang

    2016-01-01

    We propose a novel mechanism to construct a tunable and ultracompact refractive index sensor by using the Fano resonance in metal-graphene hybrid nanostructure. Plasmon modes in graphene nanoribbons and waveguide resonance modes in the slits of metal strip array coexist in this system. Strong interference between the two different modes occurs when they are spectrally overlapped, resulting in a Fano-type asymmetrically spectral lineshape which can be used for detecting the variations of ambient refractive index. The proposed sensor has a relatively high figure of merit (FOM) over 20 and its sensing performance shows a good tolerance to roughness. In addition to the wide range measurement enabled by the electrical tuning of graphene plasmon modes, such ultracompact system also provides an angle-independent operation and therefore, it can efficiently work for the detection of gas, liquid, or solids. Such optical nanostructure may also be applied to diverse fields such as temperature/pressure metering, medical detection, and mechanical precision measurement. PMID:27439964

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

    PubMed Central

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

    2012-01-01

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

  18. Tunable angle-independent refractive index sensor based on Fano resonance in integrated metal and graphene nanoribbons.

    PubMed

    Pan, Meiyan; Liang, Zhaoxing; Wang, Yu; Chen, Yihang

    2016-07-21

    We propose a novel mechanism to construct a tunable and ultracompact refractive index sensor by using the Fano resonance in metal-graphene hybrid nanostructure. Plasmon modes in graphene nanoribbons and waveguide resonance modes in the slits of metal strip array coexist in this system. Strong interference between the two different modes occurs when they are spectrally overlapped, resulting in a Fano-type asymmetrically spectral lineshape which can be used for detecting the variations of ambient refractive index. The proposed sensor has a relatively high figure of merit (FOM) over 20 and its sensing performance shows a good tolerance to roughness. In addition to the wide range measurement enabled by the electrical tuning of graphene plasmon modes, such ultracompact system also provides an angle-independent operation and therefore, it can efficiently work for the detection of gas, liquid, or solids. Such optical nanostructure may also be applied to diverse fields such as temperature/pressure metering, medical detection, and mechanical precision measurement.

  19. Tunable angle-independent refractive index sensor based on Fano resonance in integrated metal and graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Pan, Meiyan; Liang, Zhaoxing; Wang, Yu; Chen, Yihang

    2016-07-01

    We propose a novel mechanism to construct a tunable and ultracompact refractive index sensor by using the Fano resonance in metal-graphene hybrid nanostructure. Plasmon modes in graphene nanoribbons and waveguide resonance modes in the slits of metal strip array coexist in this system. Strong interference between the two different modes occurs when they are spectrally overlapped, resulting in a Fano-type asymmetrically spectral lineshape which can be used for detecting the variations of ambient refractive index. The proposed sensor has a relatively high figure of merit (FOM) over 20 and its sensing performance shows a good tolerance to roughness. In addition to the wide range measurement enabled by the electrical tuning of graphene plasmon modes, such ultracompact system also provides an angle-independent operation and therefore, it can efficiently work for the detection of gas, liquid, or solids. Such optical nanostructure may also be applied to diverse fields such as temperature/pressure metering, medical detection, and mechanical precision measurement.

  20. Tunable angle-independent refractive index sensor based on Fano resonance in integrated metal and graphene nanoribbons.

    PubMed

    Pan, Meiyan; Liang, Zhaoxing; Wang, Yu; Chen, Yihang

    2016-01-01

    We propose a novel mechanism to construct a tunable and ultracompact refractive index sensor by using the Fano resonance in metal-graphene hybrid nanostructure. Plasmon modes in graphene nanoribbons and waveguide resonance modes in the slits of metal strip array coexist in this system. Strong interference between the two different modes occurs when they are spectrally overlapped, resulting in a Fano-type asymmetrically spectral lineshape which can be used for detecting the variations of ambient refractive index. The proposed sensor has a relatively high figure of merit (FOM) over 20 and its sensing performance shows a good tolerance to roughness. In addition to the wide range measurement enabled by the electrical tuning of graphene plasmon modes, such ultracompact system also provides an angle-independent operation and therefore, it can efficiently work for the detection of gas, liquid, or solids. Such optical nanostructure may also be applied to diverse fields such as temperature/pressure metering, medical detection, and mechanical precision measurement. PMID:27439964

  1. The new small-angle neutron scattering instrument SANS-1 at MLZ-characterization and first results

    NASA Astrophysics Data System (ADS)

    Mühlbauer, S.; Heinemann, A.; Wilhelm, A.; Karge, L.; Ostermann, A.; Defendi, I.; Schreyer, A.; Petry, W.; Gilles, R.

    2016-10-01

    A thorough characterization of the key features of the new small-angle neutron scattering instrument SANS-1 at MLZ, a joint project of Technische Universität München and Helmholtz Zentrum Geesthacht, is presented. Measurements of the neutron beam profile, divergency and flux are given for various positions along the instrument including the sample position, and agree well with Monte Carlo simulations of SANS-1 using the program McStas. Secondly, the polarization option of SANS-1 is characterized for a broad wavelength band. A key feature of SANS-1 is the large accessible Q-range facilitated by the sideways movement of the detector. Particular attention is hence paid to the effects that arise due to large scattering angles on the detector where a standard cos3 solid angle correction is no longer applicable. Finally the performance of the instrument is characterized by a set of standard samples.

  2. Small blaze angle gratings with various surface treatments for use in the extreme ultraviolet

    NASA Technical Reports Server (NTRS)

    Miller, Anne; Jelinsky, Patrick; Bowyer, Stuart; Welsh, Barry Y.

    1989-01-01

    Three replica gratings made from a single master, including two epoxy-overcoated gratings with different thicknesses of gold and one grating replicated directly in gold, were studied by measuring and comparing the performances of the gratings in EUV light at grazing incidence angles. The results show that, in situations which require a very low grazing angle, high-quality, mechanically ruled straight groove gratings provide good efficiency and uniform blaze independent of coating thickness up to 1000 A. However, the technique of direct replication in the surface material seems to result in substantially more light scattering and does not seem to have other obvious advantages.

  3. Development of a large-angle pinhole gamma camera with depth-of-interaction capability for small animal imaging

    NASA Astrophysics Data System (ADS)

    Baek, C.-H.; An, S. J.; Kim, H.-I.; Choi, Y.; Chung, Y. H.

    2012-01-01

    A large-angle gamma camera was developed for imaging small animal models used in medical and biological research. The simulation study shows that a large field of view (FOV) system provides higher sensitivity with respect to a typical pinhole gamma cameras by reducing the distance between the pinhole and the object. However, this gamma camera suffers from the degradation of the spatial resolution at the periphery region due to parallax error by obliquely incident photons. We propose a new method to measure the depth of interaction (DOI) using three layers of monolithic scintillators to reduce the parallax error. The detector module consists of three layers of monolithic CsI(Tl) crystals with dimensions of 50.0 × 50.0 × 2.0 mm3, a Hamamatsu H8500 PSPMT and a large-angle pinhole collimator with an acceptance angle of 120°. The 3-dimensional event positions were determined by the maximum-likelihood position-estimation (MLPE) algorithm and the pre-generated look up table (LUT). The spatial resolution (FWHM) of a Co-57 point-like source was measured at different source position with the conventional method (Anger logic) and with DOI information. We proved that high sensitivity can be achieved without degradation of spatial resolution using a large-angle pinhole gamma camera: this system can be used as a small animal imaging tool.

  4. MAGNETIC RESONANCE IMAGING FINDINGS IN SMALL RUMINANTS WITH BRAIN DISEASE.

    PubMed

    Ertelt, Katrin; Oevermann, Anna; Precht, Christina; Lauper, Josiane; Henke, Diana; Gorgas, Daniela

    2016-01-01

    Brain disease is an important cause of neurologic deficits in small ruminants, however few MRI features have been described. The aim of this retrospective, case series study was to describe MRI characteristics in a group of small ruminants with confirmed brain disease. A total of nine small ruminants (six sheep and three goats) met inclusion criteria. All had neurologic disorders localized to the brain and histopathologic confirmation. In animals with toxic-metabolic diseases, there were bilaterally symmetric MRI lesions affecting either the gray matter (one animal with polioencephalomalacia) or the white matter (two animals with enterotoxemia). In animals with suppurative inflammation, asymmetric focal brainstem lesions were present (two animals with listeric encephalitis), or lesions typical of an intra-axial (one animal) or dural abscess (one animal), respectively. No MRI lesions were detected in one animal with suspected viral cerebellitis and one animal with parasitic migration tracts. No neoplastic or vascular lesions were identified in this case series. Findings from the current study supported the use of MRI for diagnosing brain diseases in small ruminants.

  5. Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene

    NASA Astrophysics Data System (ADS)

    Eremin, R. A.; Kholmurodov, Kh. T.; Petrenko, V. I.; Rosta, L.; Avdeev, M. V.

    2014-01-01

    Data of small-angle neutron scattering by a diluted solution of stearic acid in deuterated benzene have been analyzed using the results of molecular dynamics simulation. The molecular dynamics simulation approach has been used to calculate the time-averaged distribution of the neutron scattering length density at the interface between the acid molecule and the solvent. It has been shown that the organization of the solvent at the interface with the acid molecule leads to a modulation of the neutron scattering length density and makes a significant contribution to the scattering. This contribution should be taken into account when interpreting the experimental small-angle neutron scattering curves for both the considered system and its analogues.

  6. Grazing-incidence small-angle X-ray scattering: application to the study of quantum dot lattices

    SciTech Connect

    Buljan, Maja Radić, Nikola; Bernstorff, Sigrid; Dražić, Goran; Bogdanović-Radović, Iva; Holý, Václav

    2012-01-01

    The modelling of grazing-incidence small-angle X-ray scattering (GISAXS) from three-dimensional quantum dot lattices is described. The ordering of quantum dots in three-dimensional quantum dot lattices is investigated by grazing-incidence small-angle X-ray scattering (GISAXS). Theoretical models describing GISAXS intensity distributions for three general classes of lattices of quantum dots are proposed. The classes differ in the type of disorder of the positions of the quantum dots. The models enable full structure determination, including lattice type, lattice parameters, the type and degree of disorder in the quantum dot positions and the distributions of the quantum dot sizes. Applications of the developed models are demonstrated using experimentally measured data from several types of quantum dot lattices formed by a self-assembly process.

  7. Small-Angle X-ray Scattering Study of Intramuscular Fish Bone: Collagen Fibril Superstructure Determined from Equidistant Meridional Reflections

    SciTech Connect

    Burger,C.; Zhou, H.; Sics, I.; Hsiao, B.; Chu, B.; Graham, L.; Glimcher, M.

    2008-01-01

    New insights into the bone collagen fibril superstructure have been obtained by novel small-angle X-ray scattering analysis. The analysis was carried out on the small-angle equidistant meridional reflections resulting from the periodic structure of collagen fibrils in their axial direction. Conventional two-dimensional analysis is difficult because of the large discrepancy of longitudinal and lateral length scales for individual fibrils, as well as their preferred orientation. The new approach represents an unapproximated analysis of the equidistant meridional reflections, which takes the exact separation of preferred orientation and fibril size effects into account. The analytical results (e.g. axial period, fibril diameter etc.) agree well with the parameters obtained from transmission electron microscopy.

  8. SU8 3D prisms with ultra small inclined angle for low-insertion-loss fiber/waveguide interconnection.

    PubMed

    Nguyen, Minh-Hang; Chang, Chia-Jung; Lee, Ming-Chang; Tseng, Fan-Gang

    2011-09-26

    This paper presents a simple method for fabricating SU8 three dimensional (3D) prisms with very small inclined-angles for optical-fiber/planar-waveguide interconnection with low insertion-loss by combining self-filling, molding and nano-lithography processes on plane surface. The prisms possess ultra low 3D inclined angle of 0.6° and a small surface roughness of 3.5 nm. It is demonstrated that the transmission efficiency of SOI waveguides improved about 4.6 times at the presence of SU8 prisms with a coupling loss of 11 dB per taper and radiation loss of 2.4 dB per taper.

  9. Small-Angle Neutron Scattering Studies of a-Si:H and a-Si:D

    SciTech Connect

    Williamson, D. L.; Marr, D. W. M.; Nelson, B. P.; Iwaniczko, E.; Yang, J.; Yan, B.; Guha, S.

    2000-01-01

    The heterogeneity of hydrogen and deuterium on the nanometer scale has been probed by samll-angle neutron scattering (SANS) from a-Si:H and a-Si:D films. Films were depsoited by two techniques, plasma-enhanced chemical vapor deposition (PECVD) and hot-wire chemical vapor deposition (HWCVD) using conditions that yield high quality films and devices.

  10. Zeeman Electromagnetically Induced Transparency with crossed pump and probe beams: Small angle dependence

    NASA Astrophysics Data System (ADS)

    Campbell, Kaleb; Madkhaly, Samaya; de Medeiros, Dillon; Bali, Samir; Macklin Quantum Information Sciences Collaboration

    2016-05-01

    Progress toward undergraduate oriented experiments on image storage in room-temperature atomic vapor using Electromagnetically Induced Transparency is described. Using a scanning longitudinal magnetic field technique we diagnose and suppress stray magnetic fields and polarization impurity. We consider the pump-probe angular dependence of the EIT signal but at much smaller angles of less than a milliradian.

  11. Relationship Between the Atomic Pair Distribution Function and Small-Angle Scattering: Implications for Modeling of Nanoparticles

    SciTech Connect

    Billinge, S.; Farrowa, C.L.

    2009-05-01

    The relationship between the equations used in the atomic pair distribution function (PDF) method and those commonly used in small-angle-scattering (SAS) analyses is explicitly shown. The origin of the sloping baseline, -4{pi}r{rho}{sub 0}, in PDFs of bulk materials is identified as originating from the SAS intensity that is neglected in PDF measurements. The nonlinear baseline in nanoparticles has the same origin, and contains information about the shape and size of the nanoparticles.

  12. Measurement of energy spectra of small-angle scattering and distribution of optical microinhomogeneities in laser ceramics

    SciTech Connect

    Tverdokhleb, P E; Shepetkin, Yu A; Steinberg, I Sh; Belikov, A Yu; Vatnik, S M; Vedin, I A; Kurbatov, P F

    2014-06-30

    The energy spectra of small-angle light scattering from the samples of Nd:YAG ceramics and the spatial distributions of optical microinhomogeneities in them are measured. The spatial profiles of microinhomogeneities are found using the collinear heterodyne microprobe technique. Based on the obtained data, the comparison of noise and lasing characteristics of foreign and domestic samples of laser ceramics is carried out. (extreme light fields and their applications)

  13. Monte-Carlo simulation of an ultra small-angle neutron scattering instrument based on Soller slits

    SciTech Connect

    Rieker, T.; Hubbard, P.

    1997-09-01

    Monte Carlo simulations are used to investigate an ultra small-angle neutron scattering instrument for use at a pulsed source based on a Soller slit collimator and analyzer. The simulations show that for a q{sub min} of {approximately}le-4 {angstrom}{sup -1} (15 {angstrom} neutrons) a few tenths of a percent of the incident flux is transmitted through both collimators at q=0.

  14. Small angle X-ray scattering and transmission electron microscopy study of the Lactobacillus brevis S-layer protein

    NASA Astrophysics Data System (ADS)

    Jääskeläinen, Pentti; Engelhardt, Peter; Hynönen, Ulla; Torkkeli, Mika; Palva, Airi; Serimaa, Ritva

    2010-10-01

    The structure of self-assembly domain containing recombinant truncation mutants of Lactobacillus brevis surface layer protein SlpA in aqueous solution was studied using small-angle X-ray scattering and transmission electron microscopy. The proteins were found out to interact with each other forming stable globular oligomers of about 10 monomers. The maximum diameter of the oligomers varied between 75 Å and 435 Å.

  15. The method of characteristics for the determination of supersonic flow over bodies of revolution at small angles of attack

    NASA Technical Reports Server (NTRS)

    Ferri, Antonio

    1951-01-01

    The method of characteristics has been applied for the determination of the supersonic-flow properties around bodies of revolution at a small angle of attack. The system developed considers the effect of the variation of entropy due to the curved shock and determines a flow that exactly satisfies the boundary conditions in the limits of the simplifications assumed. Two practical methods for numerical calculations are given. (author)

  16. Jointed magnetic skyrmion lattices at a small-angle grain boundary directly visualized by advanced electron microscopy

    PubMed Central

    Matsumoto, Takao; So, Yeong-Gi; Kohno, Yuji; Sawada, Hidetaka; Ishikawa, Ryo; Ikuhara, Yuichi; Shibata, Naoya

    2016-01-01

    The interactions between magnetic skyrmions and structural defects, such as edges, dislocations, and grain boundaries (GBs), which are all considered as topological defects, will be important issues when magnetic skyrmions are utilized for future memory device applications. To investigate such interactions, simultaneous visualization of magnetic skyrmions and structural defects at high spatial resolution, which is not feasible by conventional techniques, is essential. Here, taking advantages of aberration-corrected differential phase-contrast scanning transmission electron microscopy, we investigate the interaction of magnetic skyrmions with a small-angle GB in a thin film of FeGe1−xSix. We found that the magnetic skyrmions and the small-angle GB can coexist each other, but a domain boundary (DB) was formed in the skyrmion lattice along the small-angle GB. At the core of the DB, unexpectedly deformed magnetic skrymions, which appear to be created by joining two portions of magnetic skyrmions in the adjacent lattices, were formed to effectively compensate misorientations between the two adjacent magnetic skyrmion lattices. These observations strongly suggest the flexible nature of individual magnetic skyrmions, and also the significance of defect engineering for future device applications. PMID:27775056

  17. From nuclei to micro-structure in colloidal crystallization: Investigating intermediate length scales by small angle laser light scattering

    NASA Astrophysics Data System (ADS)

    Beyer, Richard; Franke, Markus; Schöpe, Hans Joachim; Bartsch, Eckhard; Palberg, Thomas

    2015-08-01

    Hard sphere suspensions are well recognized model systems of statistical physics and soft condensed matter. We here investigate the temporal evolution of the immediate environment of nucleating and growing crystals and/or their global scale distribution using time resolved Small Angle Light Scattering (SALS). Simultaneously performed Bragg scattering measurements provide an accurate temporal gauging of the sequence of events. We apply this approach to studies of re-crystallization in several different shear molten hard sphere and attractive hard sphere samples with the focus being on the diversity of observable signal shapes and their change in time. We demonstrate that depending on the preparation conditions different processes occur on length scales larger than the structural scale, which significantly influence both the crystallization kinetics and the final micro-structure. By careful analysis of the SALS signal evolution and by comparing different suggestions for small angle signal shapes to our data, we can for most cases identify the processes leading to the observed signals. These include form factor scattering from crystals surrounded by depletion zones and structure factor scattering from late stage inter-crystallite ordering. The large variety of different small angle signals thus in principle contains valuable information complementary to that gained from Bragg scattering or microscopy. Our comparison, however, also shows that further refinement and adaptation of the theoretical expressions to the sample specific boundary conditions is desired for a quantitative kinetic analysis of micro-structural evolution.

  18. Investigation of the structure of unilamellar dimyristoylphosphatidylcholine vesicles in aqueous sucrose solutions by small-angle neutron and X-ray scattering

    SciTech Connect

    Kiselev, M. A. Zemlyanaya, E. V.; Zhabitskaya, E. I.; Aksenov, V. L.

    2015-01-15

    The structure of a polydispersed population of unilamellar dimyristoylphosphatidylcholine (DMPC) vesicles in sucrose solutions has been investigated by small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS). Calculations within the model of separated form factors (SFF) show that the structure of the vesicle system depends strongly on the sucrose concentration.

  19. Operation of a U-shaped thermosiphon at small angles of inclination

    SciTech Connect

    Krivonos, V.A.

    1988-01-01

    The combined effects of the volume of heat transfer fluid and the angles of inclination of the branches of a thermosyphon on its internal thermal resistance are determined in a parametric analysis for the optimization of the configuration and fluid charge and the thermal efficiency of the thermosyphon. The dependence of the operating temperature gradient on the power input is investigated and the power input optimized on the basis of the results.

  20. Mineral crystal alignment in mineralized fracture callus determined by 3D small-angle X-ray scattering

    NASA Astrophysics Data System (ADS)

    Liu, Yifei; Manjubala, Inderchand; Roschger, Paul; Schell, Hanna; Duda, Georg N.; Fratzl, Peter

    2010-10-01

    Callus tissue formed during bone fracture healing is a mixture of different tissue types as revealed by histological analysis. But the structural characteristics of mineral crystals within the healing callus are not well known. Since two-dimensional (2D) scanning small-angle X-ray scattering (sSAXS) patterns showed that the size and orientation of callus crystals vary both spatially and temporally [1] and 2D electron microscopic analysis implies an anisotropic property of the callus morphology, the mineral crystals within the callus are also expected to vary in size and orientation in 3D. Three-dimensional small-angle X-ray scattering (3D SAXS), which combines 2D SAXS patterns collected at different angles of sample tilting, has been previously applied to investigate bone minerals in horse radius [2] and oim/oim mouse femur/tibia [3]. We implement a similar 3D SAXS method but with a different way of data analysis to gather information on the mineral alignment in fracture callus. With the proposed accurate yet fast assessment of 3D SAXS information, it was shown that the plate shaped mineral particles in the healing callus were aligned in groups with their predominant orientations occurring as a fiber texture.

  1. Small angle scattering polarization biopsy: a comparative analysis of various skin diseases

    NASA Astrophysics Data System (ADS)

    Zimnyakov, D. A.; Alonova, M. V.; Yermolenko, S. B.; Ivashko, P. V.; Reshetnikova, E. M.; Galkina, E. M.; Utz, S. R.

    2013-12-01

    An approach to differentiation of the morphological features of normal and pathological human epidermis on the base of statistical analysis of the local polarization states of laser light forward scattered by in-vitro tissue samples is discussed. The eccentricity and the azimuth angle of local polarization ellipses retrieved for various positions of the focused laser beam on the tissue surface, and the coefficient of collimated transmittance are considered as the diagnostic parameters for differentiation. The experimental data obtained with the psoriasis, discoid lupus erythematosus, alopecia, lichen planus, scabies, demodex, and normal skin samples are presented.

  2. Imaging method based on attenuation, refraction and ultra-small-angle-scattering of x-rays

    DOEpatents

    Wernick, Miles N.; Chapman, Leroy Dean; Oltulu, Oral; Zhong, Zhong

    2005-09-20

    A method for detecting an image of an object by measuring the intensity at a plurality of positions of a transmitted beam of x-ray radiation emitted from the object as a function of angle within the transmitted beam. The intensity measurements of the transmitted beam are obtained by a crystal analyzer positioned at a plurality of angular positions. The plurality of intensity measurements are used to determine the angular intensity spectrum of the transmitted beam. One or more parameters, such as an attenuation property, a refraction property and a scatter property, can be obtained from the angular intensity spectrum and used to display an image of the object.

  3. Metastatic Extrapulmonary Small Cell Carcinoma to the Cerebellopontine Angle: A Case Report and Review of the Literature

    PubMed Central

    Theodros, Debebe; Goodwin, C. Rory; Crane, Genevieve M.; Liauw, Jason; Kleinberg, Lawrence

    2015-01-01

    Extrapulmonary small cell carcinomas (EPSCC) are rare malignancies with poor patient prognoses. We present the case of a 63-year-old male who underwent surgical resection of a poorly differentiated small cell carcinoma, likely from a small intestinal primary tumor that metastasized to the cerebellopontine angle (CPA). A 63-year-old male presented with mild left facial paralysis, hearing loss, and balance instability. MRI revealed a 15 mm mass in the left CPA involving the internal auditory canal consistent with a vestibular schwannoma. Preoperative MRI eight weeks later demonstrated marked enlargement to 35 mm. The patient underwent a suboccipital craniectomy and the mass was grossly different visually and in consistency from a standard vestibular schwannoma. The final pathology revealed a poorly differentiated small cell carcinoma. Postoperative PET scan identified avid uptake in the small intestine suggestive of either a small intestinal primary tumor or additional metastatic disease. The patient underwent whole brain radiation therapy and chemotherapy and at last follow-up demonstrated improvement in his symptoms. Surgical resection and radiotherapy are potential treatment options to improve survival in patients diagnosed with NET brain metastases. We present the first documented case of skull base metastasis of a poorly differentiated small cell carcinoma involving the CPA. PMID:25810937

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

    PubMed

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

    2013-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-01-01

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

  6. Usefulness of PRESTO magnetic resonance imaging for the differentiation of schwannoma and meningioma in the cerebellopontine angle.

    PubMed

    Tomogane, Yusuke; Mori, Kanji; Izumoto, Shuichi; Kaba, Keizo; Ishikura, Reiichi; Ando, Kumiko; Wakata, Yuki; Fujita, Shigekazu; Shirakawa, Manabu; Arita, Norio

    2013-01-01

    The principles of echo-shifting with a train of observations (PRESTO) magnetic resonance (MR) imaging technique employs an MR sequence that sensitively detects susceptibility changes in the brain. The effectiveness of PRESTO MR imaging was examined for distinguishing between cerebellopontine angle (CPA) schwannomas and meningiomas in 24 patients with CPA tumors, 12 with vestibular schwannomas, and 12 with meningiomas. Histopathological study of surgical specimens showed that 11 of the 12 schwannomas contained hemosiderin deposits and all had microhemorrhages. One meningioma contained hemosiderin deposits and two involved microhemorrhages. Abnormal vessel proliferation, and dilated and thrombosed vessels were observed in all schwannomas and in 4 meningiomas. In addition to MR imaging with all basic sequences, PRESTO MR imaging and computed tomography were performed. PRESTO imaging showed significantly more schwannomas (n = 12) than meningiomas (n = 2) exhibited intratumoral spotty signal voids which were isointense to air in the mastoid air cells (p < 0.001). These spotty signal voids were significantly associated with histopathologically demonstrated hemosiderin deposits (p < 0.001), microhemorrhages (p < 0.01), and abnormal vessels (p < 0.04). The visualization of spotty signal voids on PRESTO images is useful to distinguish schwannomas from meningiomas.

  7. Evaluation of Cancer Metabolomics Using ex vivo High Resolution Magic Angle Spinning (HRMAS) Magnetic Resonance Spectroscopy (MRS).

    PubMed

    Fuss, Taylor L; Cheng, Leo L

    2016-03-22

    According to World Health Organization (WHO) estimates, cancer is responsible for more deaths than all coronary heart disease or stroke worldwide, serving as a major public health threat around the world. High resolution magic angle spinning (HRMAS) magnetic resonance spectroscopy (MRS) has demonstrated its usefulness in the identification of cancer metabolic markers with the potential to improve diagnosis and prognosis for the oncology clinic, due partially to its ability to preserve tissue architecture for subsequent histological and molecular pathology analysis. Capable of the quantification of individual metabolites, ratios of metabolites, and entire metabolomic profiles, HRMAS MRS is one of the major techniques now used in cancer metabolomic research. This article reviews and discusses literature reports of HRMAS MRS studies of cancer metabolomics published between 2010 and 2015 according to anatomical origins, including brain, breast, prostate, lung, gastrointestinal, and neuroendocrine cancers. These studies focused on improving diagnosis and understanding patient prognostication, monitoring treatment effects, as well as correlating with the use of in vivo MRS in cancer clinics.

  8. Evaluation of Cancer Metabolomics Using ex vivo High Resolution Magic Angle Spinning (HRMAS) Magnetic Resonance Spectroscopy (MRS)

    PubMed Central

    Fuss, Taylor L.; Cheng, Leo L.

    2016-01-01

    According to World Health Organization (WHO) estimates, cancer is responsible for more deaths than all coronary heart disease or stroke worldwide, serving as a major public health threat around the world. High resolution magic angle spinning (HRMAS) magnetic resonance spectroscopy (MRS) has demonstrated its usefulness in the identification of cancer metabolic markers with the potential to improve diagnosis and prognosis for the oncology clinic, due partially to its ability to preserve tissue architecture for subsequent histological and molecular pathology analysis. Capable of the quantification of individual metabolites, ratios of metabolites, and entire metabolomic profiles, HRMAS MRS is one of the major techniques now used in cancer metabolomic research. This article reviews and discusses literature reports of HRMAS MRS studies of cancer metabolomics published between 2010 and 2015 according to anatomical origins, including brain, breast, prostate, lung, gastrointestinal, and neuroendocrine cancers. These studies focused on improving diagnosis and understanding patient prognostication, monitoring treatment effects, as well as correlating with the use of in vivo MRS in cancer clinics. PMID:27011205

  9. The interaction of small molecules with phospholipid membranes studied by 1H NOESY NMR under magic-angle spinning.

    PubMed

    Scheidt, Holger A; Huster, Daniel

    2008-01-01

    The interaction of small molecules with lipid membranes and the exact knowledge of their binding site and bilayer distribution is of great pharmacological importance and represents an active field of current biophysical research. Over the last decade, a highly resolved 1H solid-state NMR method has been developed that allows measuring localization and distribution of small molecules in membranes. The classical solution 1H NMR NOESY technique is applied to lipid membrane samples under magic-angle spinning (MAS) and NOESY cross-relaxation rates are determined quantitatively. These rates are proportional to the contact probability between molecular segments and therefore an ideal tool to study intermolecular interactions in membranes. Here, we review recent 1H MAS NOESY applications that were carried out to study lateral lipid organization in mixed membranes and the interaction of membranes with water, ethanol, small aromatic compounds, peptides, fluorescence labels, and lipophilic nucleosides.

  10. Interaction between Metal Impurities and Small-Angle Grain Boundaries on Recombination Properties in Multicrystalline Silicon for Solar Cells

    NASA Astrophysics Data System (ADS)

    Sameshima, Takashi; Miyazaki, Naoto; Tsuchiya, Yuki; Hashiguchi, Hiroki; Tachibana, Tomihisa; Kojima, Takuto; Ohshita, Yoshio; Arafune, Koji; Ogura, Atsushi

    2012-04-01

    Recombination properties at small-angle grain boundaries (SA-GBs) in multicrystalline silicon were evaluated. After Fe contamination, the electron-beam-induced current (EBIC) contrast at most SA-GBs became stronger, especially at >1.5°. After Al gettering, EBIC contrast of most <1.5° SA-GBs became as weak as before contamination. Then, some EBIC contrast of >1.5° SA-GBs showed comparable contrast before gettering. In addition, there were SA-GBs which have different recombination properties even with the same misorientation angle. Between these SA-GBs, there were differences in the rotation axis, boundary direction, and existence of defects. The associativity of metals might be affected by the existence of defects caused by these differences.

  11. Modulated heterodyne light scattering set-up for measuring long relaxation time at small and wide angle

    SciTech Connect

    Leone, Nancy; Villari, Valentina; Micali, Norberto

    2012-08-15

    We present a simple, compact, and versatile experimental setup working in the heterodyne detection mode with modulation of the reference beam. The system is implemented with a collection optics based on a unimodal optical fiber coupler. This choice allows the heterodyne to be used in a wide range of scattering angles, even for very small ones, without losing the optical beating. The apparatus can be successfully used to study translational diffusive dynamics of dispersed particles at scattering angles smaller than 5 Degree-Sign and it is suitable for exploring slow relaxation processes in sub-Hertz frequency domain, for example, in glass-forming systems. It is also possible to measure the electrophoretic mobility by applying an electric field into a charged particles solution.

  12. Characterizing the Morphologies of Mechanically Manipulated Multiwall Carbon Nanotube Films by Small-Angle X-ray Scattering

    SciTech Connect

    Wang,B.; Bennett, R.; Verploegen, E.; Hart, A.; Cohen, R.

    2007-01-01

    We used small-angle X-ray scattering (SAXS) to quantitatively characterize the morphological characteristics of pristine and mechanically manipulated multiwall carbon nanotube (MWCNT) films. We determined that CNT diameters measured near the edges of a film were smaller compared to those measured in the interior. Uniaxially compressed MWCNT films exhibited a buckling deformation that was observable both in scanning electron microscopy (SEM) and SAXS. CNT films were also converted into cellular foams of CNTs through capillarity-induced densification. By examining spatially- and time-resolved SAXS data for the cellular foams, we identified low angle features in the scattering curves that correspond to the average spacing between CNTs, demonstrating that SAXS is a useful method for monitoring the packing density of CNTs in a film. For all of the morphologies that were examined (aligned, disordered, compressed, and densified), SAXS data showed good correspondence with SEM images.

  13. Development of a One-Dimensional Small-Angle Neutron Scattering Instrument at the University of Illinois TRIGA Reactor Laboratory

    NASA Astrophysics Data System (ADS)

    Monti, D. A.; Guillermo, N. R.; Hulin, M. J.; Heuser, B. J.; Toreja, A.; Moschetti, T. L.

    1996-03-01

    A small-angle neutron scattering instrument with slit-smeared geometry (1-D SANS) has been constructed at the University of Illinois 1.5 MWatt TRIGA reactor. This facility falls under the general heading of "low-flux research reactors" which typically are not used for neutron scattering research. Low-flux reactors can support neutron scattering research under certain conditions, however. 1-D SANS using elastically-bent crystal optics is one such example [Popovici, et al. (1995). J. Phys. Chem. Solids 56, 1425-1431]. Our instrument uses a pyrolytic graphite pre-monochromator and two elastically-bent Si wafers, all in a (+,+,-) configuration. Instrumental performance including low-angle resolution, on-sample intensity, resolution variability, and cross-section measurement capability will be presented.

  14. Performance of the micro-PIC gaseous area detector in small-angle X-ray scattering experiments.

    PubMed

    Hattori, Kaori; Tsuchiya, Ken'ichi; Ito, Kazuki; Okada, Yoko; Fujii, Kotaro; Kubo, Hidetoshi; Miuchi, Kentaro; Takata, Masaki; Tanimori, Toru; Uekusa, Hidehiro

    2009-03-01

    The application of a two-dimensional photon-counting detector based on a micro-pixel gas chamber (micro-PIC) to high-resolution small-angle X-ray scattering (SAXS), and its performance, are reported. The micro-PIC is a micro-pattern gaseous detector fabricated by printed circuit board technology. This article describes the performance of the micro-PIC in SAXS experiments at SPring-8. A dynamic range of >10(5) was obtained for X-ray scattering from a polystyrene sphere solution. A maximum counting rate of up to 5 MHz was observed with good linearity and without saturation. For a diffraction pattern of collagen, weak peaks were observed in the high-angle region in one accumulation of photons.

  15. A nuclear magnetic resonance spectrometer concept for hermetically sealed magic angle spinning investigations on highly toxic, radiotoxic, or air sensitive materials

    NASA Astrophysics Data System (ADS)

    Martel, L.; Somers, J.; Berkmann, C.; Koepp, F.; Rothermel, A.; Pauvert, O.; Selfslag, C.; Farnan, I.

    2013-05-01

    A concept to integrate a commercial high-resolution, magic angle spinning nuclear magnetic resonance (MAS-NMR) probe capable of very rapid rotation rates (70 kHz) in a hermetically sealed enclosure for the study of highly radiotoxic materials has been developed and successfully demonstrated. The concept centres on a conventional wide bore (89 mm) solid-state NMR magnet operating with industry standard 54 mm diameter probes designed for narrow bore magnets. Rotor insertion and probe tuning take place within a hermetically enclosed glovebox, which extends into the bore of the magnet, in the space between the probe and the magnet shim system. Oxygen-17 MAS-NMR measurements demonstrate the possibility of obtaining high quality spectra from small sample masses (˜10 mg) of highly radiotoxic material and the need for high spinning speeds to improve the spectral resolution when working with actinides. The large paramagnetic susceptibility arising from actinide paramagnetism in (Th1-xUx)O2 solid solutions gives rise to extensive spinning sidebands and poor resolution at 15 kHz, which is dramatically improved at 55 kHz. The first 17O MAS-NMR measurements on NpO2+x samples spinning at 55 kHz are also reported. The glovebox approach developed here for radiotoxic materials can be easily adapted to work with other hazardous or even air sensitive materials.

  16. A small-form-factor piezoelectric vibration energy harvester using a resonant frequency-down conversion

    SciTech Connect

    Sun, Kyung Ho; Kim, Young-Cheol; Kim, Jae Eun

    2014-10-15

    While environmental vibrations are usually in the range of a few hundred Hertz, small-form-factor piezoelectric vibration energy harvesters will have higher resonant frequencies due to the structural size effect. To address this issue, we propose a resonant frequency-down conversion based on the theory of dynamic vibration absorber for the design of a small-form-factor piezoelectric vibration energy harvester. The proposed energy harvester consists of two frequency-tuned elastic components for lowering the first resonant frequency of an integrated system but is so configured that an energy harvesting beam component is inverted with respect to the other supporting beam component for a small form factor. Furthermore, in order to change the unwanted modal characteristic of small separation of resonant frequencies, as is the case with an inverted configuration, a proof mass on the supporting beam component is slightly shifted toward a second proof mass on the tip of the energy harvesting beam component. The proposed small-form-factor design capability was experimentally verified using a fabricated prototype with an occupation volume of 20 × 39 × 6.9 mm{sup 3}, which was designed for a target frequency of as low as 100 Hz.

  17. Energy-dispersive small-angle X-ray scattering with cone collimation using X-ray capillary optics

    NASA Astrophysics Data System (ADS)

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi

    2016-09-01

    Energy-dispersive small-angle X-ray scattering (ED-SAXS) with an innovative design of cone collimation based on an ellipsoidal single-bounce capillary (ESBC) and a polycapillary parallel X-ray lens (PPXRL) had been explored. Using this new cone collimation system, scattering angle 2θ has a theoretical minimum angle related to the mean half-opening angle of the hollow cone beam of 1.42 mrad, and with the usable X-ray energy ranging from 4 to 30 keV, the resulting observable scattering vector q is down to a minimum value of about 0.003 Å-1 (or a Bragg spacing of about 2100 Å). However, the absorption of lower energies by X-ray capillary optics, sample transmission, and detector response function limits the application range to lower energy. Cone collimation ED-SAXS experiments carried out on pure water, Lupolen, and in situ temperature-dependent measurement of diacetylenic acid/melamine micelle solid were presented at three different scattering angles 2θ of 0.18°, 0.70° and 1.18° to illustrate the new opportunities offered by this technique as well as its limitations. Also, a comparison has been made by replacing the PPXRL with a pinhole, and the result shows that cone collimation ED-SAXS based on ESBC with PPXRL was helpful in improving the signal-to-noise ratio (i.e., reducing the parasitic background scattering) than ESBC with a pinhole. The cone collimation instrument based on X-ray capillary optics could be considered as a promising tool to perform SAXS experiments, especially cone collimation ED-SAXS has potential application for the in situ temperature-dependent studying on the kinetics of phase transitions.

  18. Small angle scattering study of the structure and organization of RNA and protein in Brome Mosaic Virus (BMV)

    NASA Astrophysics Data System (ADS)

    Das, Narayan C.; Warren, Garfield T.; Cheng, Si; Kao, C. Cheng; Ni, Peng; Dragnea, Bogdan; Sokol, Paul E.

    2012-02-01

    Brome mosaic virus (BMV) is a small icosahedral of the alpha virus-like superfamily of RNA with a segmented positive-strand RNA genome and a mean diameter ˜ 268å that offers high levels of RNA synthesis and virus production in plants. BMV also tightly regulates the packaging of its four RNAs (RNA1 through RNA4) into three separate particles; RNA1 and RNA2 are encapsidated separately while one copy each of RNA3 and RNA4 are normally packaged together. Small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS) were applied to study the size, shape and protein-RNA organization of BMV. D2O/H2O mixture was used to enhance contrast in SANS measurement. The radial distribution of BMV from the Fourier transform of scattering spectrum gives a clear indication of RNA packing, and distribution and their structure in the BMV. The result reveals that the virus is about 266 å in diameter and is composed of RNA inside the virion coated with a protein shell.

  19. New neutron small-angle diffraction instrument at the Brookhaven High Flux Beam Reactor

    SciTech Connect

    Schneider, D.K.; Schoenborn, B.P.

    1982-01-01

    The new instrument utilizes cold neutrons emerging from a series of straight neutron guides. A multilayered monochromator is used in combination with a short collimator to obtain a monochromatized beam with a wavelength between 4 and 10 A and a wavelength spread of about 10%. The flux at 5 A exceeds 10/sup 6/ ns/sup -1/ cm/sup -2/ in a typical beam of 6-mm diameter at the sample. The spectrometer itself incorporates provisions for computer-controlled positioning of samples and a two-dimensional detector. At a sample-detector distance between 50 and 200 cm the detector can be centered at scattering angles of up to 45/sup 0/. The beam-defining components, the monochromator, the collimator, and various slits, are easily accessible and exchangeable for alternative devices. These features make the instrument modular and give it flexibility approaching that of standard x-ray equipment.

  20. Measurement of the absolute differential cross section of proton–proton elastic scattering at small angles

    DOE PAGES

    Mchedlishvili, D.; Chiladze, D.; Dymov, S.; Bagdasarian, Z.; Barsov, S.; Gebel, R.; Gou, B.; Hartmann, M.; Kacharava, A.; Keshelashvili, I.; et al

    2016-02-03

    The differential cross section for proton-proton elastic scattering has been measured at a beam kinetic energy of 1.0 GeV and in 200 MeV steps from 1.6 to 2.8 GeV for centre-of-mass angles in the range from 12°-16° to 25°-30°, depending on the energy. A precision in the overall normalisation of typically 3% was achieved by studying the energy losses of the circulating beam of the COSY storage ring as it passed repeatedly through the windowless hydrogen target of the ANKE magnetic spectrometer. It is shown that the data have a significant impact upon the results of a partial wave analysis.more » Furthermore, after extrapolating the differential cross sections to the forward direction, the results are broadly compatible with the predictions of forward dispersion relations.« less

  1. Angled Cool-Tip Electrode for Radiofrequency Ablation of Small Superficial Subcapsular Tumors in the Liver: A Feasibility Study

    PubMed Central

    Kim, Il Jung; Lee, Shin Jae; Shin, Min Woo; Shin, Won Sun; Chung, Yong Eun; Kim, Gyoung Min; Kim, Man Deuk; Won, Jong Yun; Lee, Do Yun; Choi, Jin Sub; Han, Kwang-Hyub

    2016-01-01

    Objective To evaluate the feasibility of angled cool-tip electrode for radiofrequency ablation of small superficial subcapsular liver tumors abutting abdominal wall, in order to traverse normal liver parenchyma, and thereby, obtain favorable configuration of ablation margin. Materials and Methods In this study, we retrospectively analyzed 15 small superficial subcapsular liver tumors abutting abdominal wall in 15 patients, treated with radiofrequency ablation from March 2013 to June 2015 using a cool-tip electrode manually modified to create 25–35° angle at the junction between exposed and insulated segments. The tumors were hepatocellular carcinoma (n = 13) and metastases (n = 2: cholangiocellular carcinoma and rectosigmoid cancer), with maximum diameter of 10–26 mm (mean, 15.68 ± 5.29 mm). Under ultrasonographic guidance, the electrode tip was advanced to the depth of the tumors' epicenter about 1 cm from the margin. The tip was re-directed to penetrate the tumor for radiofrequency ablation. Minimal ablation margin was measured at immediate post-treatment CT. Radiological images and medical records were evaluated for success rate, length of minimal ablation margin and complications. Results Technical success rate of obtaining complete necrosis of the tumors was 100%, with no procedure-related complication. Minimal ablation margin ranged from 3–12 mm (mean, 7.07 ± 2.23 mm). CT/MRI follow-up at 21–1022 days (mean, 519.47 ± 304.51 days) revealed no local recurrence, but distant recurrence in 9 patients. Conclusion Using an angled cool-tip electrode for radiofrequency ablation of small superficial subcapsular tumors abutting abdominal wall may be a feasible technique for obtaining adequate ablation margin and lower complication rate. PMID:27587963

  2. Extracting magnetic cluster size and its distributions in advanced perpendicular recording media with shrinking grain size using small angle x-ray scattering

    SciTech Connect

    Mehta, Virat; Ikeda, Yoshihiro; Takano, Ken; Terris, Bruce D.; Hellwig, Olav; Wang, Tianhan; Wu, Benny; Graves, Catherine; Dürr, Hermann A.; Scherz, Andreas; Stöhr, Jo

    2015-05-18

    We analyze the magnetic cluster size (MCS) and magnetic cluster size distribution (MCSD) in a variety of perpendicular magnetic recording (PMR) media designs using resonant small angle x-ray scattering at the Co L{sub 3} absorption edge. The different PMR media flavors considered here vary in grain size between 7.5 and 9.5 nm as well as in lateral inter-granular exchange strength, which is controlled via the segregant amount. While for high inter-granular exchange, the MCS increases rapidly for grain sizes below 8.5 nm, we show that for increased amount of segregant with less exchange the MCS remains relatively small, even for grain sizes of 7.5 and 8 nm. However, the MCSD still increases sharply when shrinking grains from 8 to 7.5 nm. We show evidence that recording performance such as signal-to-noise-ratio on the spin stand correlates well with the product of magnetic cluster size and magnetic cluster size distribution.

  3. On the structure of concentrated detonation nanodiamond hydrosols with a positive ζ potential: Analysis of small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Avdeev, Mikhail V.; Tomchuk, Oleksandr V.; Ivankov, Oleksandr I.; Alexenskii, Alexander E.; Dideikin, Artur T.; Vul, Alexander Ya.

    2016-08-01

    Small-angle neutron scattering (SANS) was applied for the structure characterization of detonation nanodiamond (DND) aqueous suspensions with a positive ζ potential. The contrast variation technique (based on mixtures of light and heavy water) was used to study the structure of DND particles and their clusters in solutions. The results were compared with the data of the previous similar experiments for DND suspensions with a negative ζ potential. The experimental range of the neutron scattering contrast in the system was extended to maximally possible by starting with the initial concentrated suspensions separately prepared in light and heavy water.

  4. Synchrotron radiation small- and wide- angle scattering study of dispergation of Equoral, a novel drug delivery system with cyclosporine A.

    PubMed

    Uhríková, D; Andrýsek, T; Funari, S S; Balgavý, P

    2004-08-01

    Equoral oral solution is a novel drug delivery system for cyclosporine consisting mainly of non-ionic surfactants, polyglycerol esters and polyoxyethylated fatty acids aggregates, and gives microdispersions in the aqueous enviroment. To simulate dispergation, Equoral was mixed with varying amounts of water. Changes in the structure of the prepared aggregates were studied using synchrotron x-ray small- and wide-angle scattering. A lamellar phase is the most probable structure, arising spontaneously after dispergation of Equoral in the region of 30-70 wt% H2O.

  5. Small-angle neutron scattering study of recombinant yeast-derived human hepatitis B virus surface antigen vaccine particle

    NASA Astrophysics Data System (ADS)

    Sato, M.; Ito, Y.; Kameyama, K.; Imai, M.; Ishikawa, N.; Takagi, T.

    1995-02-01

    The overall and internal structure of recombinant yeast-derived human hepatitis B virus surface antigen vaccine particles was investigated by small-angle neutron scattering using the contrast variation method. The vaccine is a nearly spherical particle, and its contrast-matching point was determined to be at about 24% D 2O content, indicating that a large part of the vaccine particle is occupied by lipids and carbohydrates from the yeast. The Stuhrmann plot suggests that the surface antigens exist predominantly in the peripheral region of the particle, which is favorable to the induction of anti-virus antibodies.

  6. Single-crystal CVD diamonds as small-angle X-ray scattering windows for high-pressure research

    PubMed Central

    Wang, Suntao; Meng, Yu-fei; Ando, Nozomi; Tate, Mark; Krasnicki, Szczesny; Yan, Chih-shiue; Liang, Qi; Lai, Joseph; Mao, Ho-kwang; Gruner, Sol M.; Hemley, Russell J.

    2012-01-01

    Small-angle X-ray scattering (SAXS) was performed on single-crystal chemical vapor deposition (CVD) diamonds with low nitrogen concentrations, which were fabricated by microwave plasma-assisted chemical vapor deposition at high growth rates. High optical quality undoped 500 µm-thick single-crystal CVD diamonds grown without intentional nitrogen addition proved to be excellent as windows on SAXS cells, yielding parasitic scattering no more intense than a 7.5 µm-thick Kapton film. A single-crystal CVD diamond window was successfully used in a high-pressure SAXS cell. PMID:22675230

  7. Structure of spontaneously formed solid-electrolyte interphase on lithiated graphite determined using small-angle neutron scattering

    DOE PAGES

    Sacci, Robert L.; Banuelos, Jose Leobardo; Veith, Gabriel M.; Littrell, Ken C.; Cheng, Yongqiang Q.; Wildgruber, Christoph U.; Jones, Lacy L.; Ramirez-Cuesta, Anibal J.; Rother, Gernot; Dudney, Nancy J.

    2015-03-25

    We report the first small-angle neutron scattering of a chemically formed solid-electrolyte interphase from LixC6 reacting with ethylene carbonate/dimethyl carbon solvent. This provides a different and perhaps simpler view of SEI formation than the usual electrochemically-driven reaction. We show that an organic layer coats the graphite particles filling in micro-pores and is polymeric in nature being 1-3 nm thick. We used inelastic neutron scattering to probe the chemistry, and we found that the SEI showed similar inelastic scattering to polyethylene oxide.

  8. Structure of the magnetite-oleic acid-decalin magnetic fluid from small-angle neutron scattering data

    NASA Astrophysics Data System (ADS)

    Nagornyi, A. V.; Petrenko, V. I.; Bulavin, L. A.; Avdeev, M. V.; Almásy, L.; Rosta, L.; Aksenov, V. L.

    2014-01-01

    Structural parameters of the magnetite-oleic acid-decalin magnetic fluid at various excesses of oleic acid (up to 25 vol %) have been determined using small-angle neutron scattering. Based on the comparison of the behavior of oleic acid in the magnetic fluid and in the pure solvent (decalin), it has been concluded that the interaction between the molecules of free (unadsorbed) surfactant changes in the presence of magnetic nanoparticles. However, the system remains stable and does not form aggregates of magnetic particles or free oleic acid. These results are compared with the previously presented data for similar benzene-based magnetic fluids.

  9. Small-angle neutron scattering studies of the template-mediated crystallization of ZSM-5 type zeolite

    SciTech Connect

    Iton, L.E.; Brun, T.O.; Epperson, J.E. . Materials Science and Technology Div.); Trouw, F. . Intense Pulsed Neutron Source Program); White, J.W.; Henderson, S.J. )

    1988-03-01

    Small-angle neutron scattering is a useful new approach to the study of zeolite crystallization from aluminosilicate gels and the action of template molecules. It has been applied to gels for synthesis of zeolite ZSM-5 using tetrapropylammonium ions as templates where the scattering length densities of the gel particles and their texture were determined using contrast variation methods. Gels formulated from soluble silicate incorporate template molecules promptly into an amorphous embryonic'' structure and crystallization ensues via a solid hydrogel transformation mechanism. Gels formulated from colloidal silica show different scattering behavior, and a liquid phase transport mechanism is inferred. 8 refs., 4 figs., 2 tabs.

  10. Limiting cases of the small-angle scattering approximation solutions for the propagation of laser beams in anisotropic scattering media

    NASA Technical Reports Server (NTRS)

    Box, M. A.; Deepak, A.

    1981-01-01

    The propagation of photons in a medium with strongly anisotropic scattering is a problem with a considerable history. Like the propagation of electrons in metal foils, it may be solved in the small-angle scattering approximation by the use of Fourier-transform techniques. In certain limiting cases, one may even obtain analytic expressions. This paper presents some of these results in a model-independent form and also illustrates them by the use of four different phase-function models. Sample calculations are provided for comparison purposes

  11. Quaternary structure of alpha-crustacyanin from lobster as seen by small-angle X-ray scattering.

    PubMed

    Dellisanti, Cosma D; Spinelli, Silvia; Cambillau, Christian; Findlay, John B C; Zagalsky, Peter F; Finet, Stéphanie; Receveur-Bréchot, Véronique

    2003-06-01

    The structure of alpha-crustacyanin, the blue carotenoprotein of lobster (Homarus gammarus) carapace, has been investigated for the first time using small-angle X-ray scattering. In this paper, we have determined the dimensions of this protein composed of eight heterodimeric subunits of beta-crustacyanin. Analysis of the scattering spectra and estimation of the shape of alpha-crustacyanin show that the protein fits into a cylinder with an axial length of 238 A and a radius of 47.5 A, in which the eight beta-crustacyanin molecules are probably arranged in a helical manner. PMID:12782314

  12. Determination of some structural and dispersion characteristics of Perftoran emulsions by the small-angle X-ray scattering

    NASA Astrophysics Data System (ADS)

    Aul'chenko, V. M.; Vazina, A. A.; Galimov, P. V.; Korneev, V. N.; Maevskii, E. I.; Matyushin, A. M.; Tuzikov, F. V.; Tuzikova, N. A.

    2005-05-01

    By the method of small-angle X-ray scattering, it is shown that preparation Perftoran—the blood substitute with the function of carrying oxygen—contains a huge amount of spherical micellar particles in an abundance, essentially of smaller sizes, than a particle of an emulsion of perfluorochemicals. The distribution function of the form and the size of micellar particles of preparation Perftoran is determined. The assumption, that a number of clinical properties of a preparation is caused by these particles is put forward.

  13. Structural transitions of CTAB micelles in the presence of n-octylamine: A small angle neutron scattering study

    SciTech Connect

    Prasad, C.D.; Singh, H.N. ); Goyal, P.S.; Rao, K.S. )

    1993-02-01

    Small angle neutron scattering (SANS) was used to characterize the micelles of cetyltrimethylammonium bromide (CTAB) in D[sub 2]O solutions, with or without added n-octylamine. SANS data have been analyzed using various models. Micellar parameters, such as mean aggregation numbers, micelle dimensions, and fractional charge on the micelles, are reported from the analysis of SANS spectra for the CTAB/n-octylamine system as a function of octylamine concentration and temperature. Results are interpreted in terms of micellar sphere-to-rod transition prompted by amine concentration in CTAB micellar solution. The size of the micelle decreases as the temperature increases.

  14. Second-order Wagner theory for two-dimensional water-entry problems at small deadrise angles

    NASA Astrophysics Data System (ADS)

    Oliver, J. M.

    The theory of Wagner from 1932 for the normal symmetric impact of a two-dimensional body of small deadrise angle on a half-space of ideal and incompressible liquid is extended to derive the second-order corrections for the locations of the higher-pressure jet-root regions and for the upward force on the impactor using a systematic matched-asymptotic analysis. The second-order predictions for the upward force on an entering wedge and parabola are compared with numerical and experimental data, respectively, and it is concluded that a significant improvement in the predictive capability of Wagner's theory is afforded by proceeding to second order.

  15. Investigation of coercivity mechanism in hot deformed Nd-Fe-B permanent magnets by small-angle neutron scattering

    SciTech Connect

    Yano, M. Manabe, A.; Shoji, T.; Kato, A.; Ono, K.; Harada, M.; Kohlbrecher, J.

    2014-05-07

    The magnetic reversal behaviors of single domain sized Nd-Fe-B permanent magnets, with and without isolation between the Nd{sub 2}Fe{sub 14}B grains, was clarified using small-angle neutron scattering (SANS). The SANS patterns obtained arose from changes in the magnetic domains and were analyzed using the Teubner–Stray model, a phenomenological correlation length model, to quantify the periodicity and morphology of the magnetic domains. The results indicated that the magnetic reversal evolved with the magnetic domains that had similar sized grains. The grain isolation enabled us to realize the reversals of single domains.

  16. A Study of Cross-linked Regions of Poly(Vinyl Alcohol) Gels by Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Lawrence, Mathias B.; Desa, J. A. E.; Aswal, V. K.

    2011-07-01

    A poly(vinyl alcohol)-borax cross-linked hydrogel has been studied by Small Angle Neutron Scattering as a function of borax concentration in the wave-vector transfer (Q) range of 0.017 Å-1 to 0.36 Å-1. It is found that as the concentration of borax increases, so does the intensity of scattering in this range. Beyond a borax concentration of 2 mg/ml, the increase in cross-linked PVA chains leads to cross-linked units larger than 150 Å as evidenced by a reduction in intensity in the lower Q region.

  17. Determination of the Fermi velocity by angle-dependent periodic orbit resonance measurements in the organic conductor α-(BEDT-TTF)2KHg(SCN)4

    NASA Astrophysics Data System (ADS)

    Kovalev, A. E.; Hill, S.; Qualls, J. S.

    2002-10-01

    We report on detailed angle-dependent studies of the microwave (ν=50-90 GHz) interlayer magnetoelectrodynamics of a single crystal sample of the organic charge-density-wave (CDW) conductor α-(BEDT-TTF)2KHg(SCN)4. Recently developed instrumentation enables both magnetic-field (B) sweeps for a fixed sample orientation and angle sweeps at fixed ν/B. We observe series' of resonant absorptions, which we attribute to periodic orbit resonances (POR)-a phenomenon closely related to cyclotron resonance. The angle dependence of the POR indicates that they are associated with the low-temperature quasi-one-dimensional (Q1D) Fermi surface (FS) of the title compound; indeed, all of the resonance peaks collapse onto a single set of ν/B versus angle curves, generated using a semiclassical magnetotransport theory for a single Q1D FS. We show that Q1D POR measurements provide one of the most direct methods for determining the Fermi velocity, without any detailed assumptions concerning the band structure; our analysis yields an average value of vF=6.5×104 m/s. Quantitative analysis of the POR harmonic content indicates that the Q1D FS is strongly corrugated. This is consistent with the assumption that the low-temperature FS derives from a reconstruction of the high-temperature quasi-two-dimensional FS, caused by the CDW instability. Detailed analysis of the angle dependence of the POR yields parameters associated with the CDW superstructure, which are consistent with published results. Finally, we address the issue as to whether or not the interlayer electrodynamics are coherent in the title compound. We obtain a relaxation time from the POR linewidths, which is considerably longer than the interlayer hopping time, indicating that the transport in this direction is coherent.

  18. Measurement of yarn twist based on backward light scattering and small-angle far-field diffraction

    NASA Astrophysics Data System (ADS)

    Pei, Z. G.; Tao, X. M.

    2015-12-01

    This paper presents a non-destructive, non-contact method for measuring the twist of a yarn based on light scattering and diffraction. The surface twist angle is measured by determining the direction of the line with the highest intensity on the backward light scattering pattern which is perpendicular to the surface fibers, which is verified by both theoretical analysis based on Beckmann’s scattering model and experiments. The yarn diameter is measured with good accuracy by using the small-angle far-field diffraction pattern of the yarn body. Yarn twist is then derived from the measured surface twist angle and yarn diameter. Further studies reveal that the measured yarn twists by the proposed method are comparable to those measured based on microscopic images of the yarn. This method requires no high-magnification optics and is able to pick up short-term variations of twist with less labor intensity, indicating its potential application in the on-line measuring of yarn twist and its distribution.

  19. Experimental study of crossing angle collision

    SciTech Connect

    Chen, T.; Rice, D.; Rubin, D.; Sagan, D.; Tigner, M.

    1993-05-01

    The non-linear coupling due to the beam-beam interaction with crossing angle has been studied. The major effect of a small ({approximately}12mrad) crossing angle is to excite 5Q{sub x}{plus_minus}Q{sub s}=integer coupling resonance family on large amplitude particles, which results in bad lifetime. On the CESR, a small crossing angle ({approximately}2.4mr) was created at the IP and a reasonable beam-beam tune-shift was achieved. The decay rate of the beam is measured as a function of horizontal tune with and without crossing angle. The theoretical analysis, simulation and experimental measurements have a good agreement. The resonance strength as a function of crossing angle is also measured.

  20. Small-Angle Neutron Scattering Investigation of Growth Modifiers on Hydrate Crystal Surfaces

    NASA Astrophysics Data System (ADS)

    Sun, Thomas; Hutter, Jeffrey L.; Lin, M.; King, H. E., Jr.

    1998-03-01

    Hydrates are crystals consisting of small molecules enclathrated within an ice-like water cage. Suppression of their growth is important in the oil industry. The presence of small quantities of specific polymers during hydrate crystallization can induce a transition from an octahedral to planar growth habit. This symmetry breaking is surprising because of the suppression of two 111 planes relative to the other six crystallographically equivalent faces. To better understand the surface effects leading to this behavior, we have studied the surface adsorption of these growth-modifing polymers onto the hydrate crytals using SANS. The total hydrate surface area, as measured by Porod scattering, increases in the presence of the growth modifier, but, no significant increase in polymer concentration on the crystal surfaces is found. Implications for possible growth mechanisms will be discussed.

  1. Hypersonic phononic stopbands at small angles of wave incidence in porous silicon multilayers

    NASA Astrophysics Data System (ADS)

    Aliev, Gazi N.; Goller, Bernhard

    2015-08-01

    We report theoretical simulation and experimental observation of the mode conversion effect in a hypersonic distributed Bragg reflector of porous silicon. Acoustic transmission of longitudinal waves through the multilayered structure has been measured in the frequency range 0-3 GHz. It is found that the measured transmittance at the gap frequencies is always higher than that theoretically predicted for normal incidence. We attribute this to non-perpendicular wave propagation that was not deliberately sought, which subsequently increases the center gap transmittance due to the mode conversion effect. Oblique incidence with angles of about 1° results in truncated gap depth in acoustic transmission spectra from about  -80 dB, and deeper, to about  -40 dB and shallower. The spectra were simulated by employing the stiffness matrix method. Porosity-dependent acoustic viscous damping was included in the calculations. A way to optimize reflectors in the frequency range, where the forbidden gaps for longitudinal and shear waves overlap, is discussed.

  2. Freeform lens design for providing LED small angle illumination in underwater application

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaohui; Chen, Chen

    2015-08-01

    With high light efficiency and long aging life, LED solid-state light source has attracted much attention in underwater application, such as optical communication and imaging. But, the large divergence angle of LED illumination has been a big challenge in practical underwater application, such as the light attenuation in water and then the decreased signal-to-noise ratio. Source-target map is a vital method in illumination optics design, and the focus is to solve numerically differential equations and then construct the freeform surface. To achieve high accuracy freeform surface, an improved method is suggested and optimized through much more advanced and accuracy Runge-Kutta method, which is different from the original design one through Euler method. The designed lens is simulated by ray trace software TracePro, and the simulation results show that the uniformity of 0.8 and the efficacy of 0.6 is obtained. While as, the method is proven to be effective, and also the accuracy of the smooth freeform surface is strengthened. One designed illumination lens is fabricated by computer numeric control (CNC) machine to demonstrate the design experimentally.

  3. Resolving Individual Components in Protein-RNA Complexes Using Small-Angle X-ray Scattering Experiments.

    PubMed

    Rambo, Robert P

    2015-01-01

    Small-angle X-ray scattering (SAXS) of protein-RNA complexes has developed into an efficient and economical approach for determining low-resolution shapes of particles in solution. Here, we demonstrate a mutliphase volumetric modeling approach capable of resolving individual components within a low-resolution shape. Through three case studies, we describe the SAXS data collecting strategies, premodeling analysis, and computational methods required for deconstructing complexes into their respective components. This chapter presents an approach using the programs ScÅtter and MONSA and custom scripts for averaging and aligning of multiple independent modeling runs. The method can image small (7kDa) masses within the context of complex and is capable of visualizing ligand-induced conformational changes. Nevertheless, computational algorithms are not without error, and we describe specific considerations during SAXS data reduction and modeling to mitigate possible false positives.

  4. Small-angle X-ray scattering: a bridge between RNA secondary structures and three-dimensional topological structures

    SciTech Connect

    Fang, Xianyang; Stagno, Jason R.; Bhandari, Yuba R.; Zuo, Xiaobing; Wang, Yun-Xing

    2015-02-01

    Whereas the structures of small to medium-sized well folded RNA molecules often can be determined by either X-ray crystallography or NMR spectroscopy, obtaining structural information for large RNAs using experimental, computational, or combined approaches remains a major interest and challenge. RNA is very sensitive to small-angle X-ray scattering (SAXS) due to high electron density along phosphate-sugar backbones, whose scattering contribution dominates SAXS intensity. For this reason, SAXS is particularly useful in obtaining global RNA structural information that outlines backbone topologies and, therefore, molecular envelopes. Such information is extremely valuable in bridging the gap between the secondary structures and three-dimensional topological structures of RNAmolecules, particularly those that have proven difficult to study using other structuredetermination methods. Here we review published results of RNA topological structures derived from SAXS data or in combination with other experimental data, as well as details on RNA sample preparation for SAXS experiments.

  5. Accounting for Observed Small Angle X-ray Scattering Profile in the Protein-Protein Docking Server ClusPro

    PubMed Central

    Xia, Bing; Mamonov, Artem; Leysen, Seppe; Allen, Karen N; Strelkov, Sergei V.; Paschalidis, Ioannis Ch.; Vajda, Sandor; Kozakov, Dima

    2015-01-01

    The protein-protein docking server ClusPro is used by thousands of laboratories, and models built by the server have been reported in over 300 publications. Although the structures generated by the docking include near-native ones for many proteins, selecting the best model is difficult due to the uncertainty in scoring. Small Angle X-ray Scattering (SAXS) is an experimental technique for obtaining low resolution structural information in solution. While not sufficient on its own to uniquely predict complex structures, accounting for SAXS data improves the ranking of models and facilitates the identification of the most accurate structure. Although SAXS profiles are currently available only for a small number of complexes, due to its simplicity the method is becoming increasingly popular. Since combining SAXS experiments will provide a viable strategy for fairly high-throughput determination of protein complex structures, the option of using SAXS restraints is added to the ClusPro server. PMID:26095982

  6. Critical dimension small angle X-ray scattering measurements of FinFET and 3D memory structures

    NASA Astrophysics Data System (ADS)

    Settens, Charles; Bunday, Benjamin; Thiel, Brad; Kline, R. Joseph; Sunday, Daniel; Wang, Chengqing; Wu, Wen-li; Matyi, Richard

    2013-04-01

    We have demonstrated that transmission critical dimension small angle X-ray scattering (CD-SAXS) provides high accuracy and precision CD measurements on advanced 3D microelectronic architectures. The competitive advantage of CD-SAXS over current 3D metrology methods such as optical scatterometry is that CD-SAXS is able to decouple and fit cross-section parameters without any significant parameter cross-correlations. As the industry aggressively scales beyond the 22 nm node, CD-SAXS can be used to quantitatively measure nanoscale deviations in the average crosssections of FinFETs and high-aspect ratio (HAR) memory devices. Fitting the average cross-section of 18:1 isolated HAR contact holes with an effective trapezoid model yielded an average pitch of 796.9 +/- 0.4 nm, top diameter of 70.3 +/- 0.9 nm, height of 1088 +/- 4 nm, and sidewall angle below 0.1°. Simulations of dense 40:1 HAR contact holes and FinFET fin-gate crossbar structures have been analyzed using CD-SAXS to inquire the theoretical precision of the technique to measure important process parameters such as fin CD, height, and sidewall angle; BOX etch recess, thickness of hafnium oxide and titanium nitride layers; gate CD, height, and sidewall angle; and hafnium oxide and titanium nitride etch recess. The simulations of HAR and FinFET structures mimic the characteristics of experimental data collected at a synchrotron x-ray source. Using the CD-SAXS simulator, we estimate the measurement capabilities for smaller similar structures expected at future nodes to predict the applicability of this technique to fulfill important CD metrology needs.

  7. Small angle x-ray scattering studies of magnetically oriented lipid bilayers.

    PubMed Central

    Hare, B J; Prestegard, J H; Engelman, D M

    1995-01-01

    Magnetically oriented lipid/detergent bilayers are potentially useful for studies of membrane-associated molecules and complexes using x-ray scattering and nuclear magnetic resonance (NMR). To establish whether the system is a reasonable model of a phospholipid bilayer, we have studied the system using x-ray solution scattering to determine the bilayer thickness, interparticle spacing, and orientational parameters for magnetically oriented lipid bilayers. The magnetically orientable samples contain the phospholipid L-alpha-dilauroylphosphatidylcholine (DLPC) and the bile salt analog 3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO) in a 3:1 molar ratio in 70% water (w/v) and are similar to magnetically orientable samples used as NMR media for structural studies of membrane-associated molecules. A bilayer thickness of 30 A was determined for the DLPC/CHAPSO particles, which is the same as the bilayer thickness of pure DLPC vesicles, suggesting that the CHAPSO is not greatly perturbing the lipid bilayer. These data, as well as NMR data on molecules incorporated in the oriented lipid particles, are consistent with the sample consisting of reasonably homogeneous and well dispersed lipid particles. Finally, the orientational energy of the sample suggests that the size of the cooperatively orienting unit in the samples is 2 x 10(7) phospholipid molecules. Images FIGURE 1 PMID:8580332

  8. Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

    SciTech Connect

    Nguyen, Hung T.; Pabit, Suzette A.; Meisburger, Steve P.; Pollack, Lois; Case, David A.

    2014-12-14

    A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb{sup +} and Sr{sup 2+}) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein–Zernike equations, with results from the Kovalenko–Hirata closure being closest to experiment for the cases studied here.

  9. Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids.

    PubMed

    Nguyen, Hung T; Pabit, Suzette A; Meisburger, Steve P; Pollack, Lois; Case, David A

    2014-12-14

    A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb(+) and Sr(2+)) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein-Zernike equations, with results from the Kovalenko-Hirata closure being closest to experiment for the cases studied here.

  10. Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

    NASA Astrophysics Data System (ADS)

    Nguyen, Hung T.; Pabit, Suzette A.; Meisburger, Steve P.; Pollack, Lois; Case, David A.

    2014-12-01

    A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb+ and Sr2+) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein-Zernike equations, with results from the Kovalenko-Hirata closure being closest to experiment for the cases studied here.

  11. Method to study sample object size limit of small-angle x-ray scattering computed tomography

    NASA Astrophysics Data System (ADS)

    Choi, Mina; Ghammraoui, Bahaa; Badal, Andreu; Badano, Aldo

    2016-03-01

    Small-angle x-ray scattering (SAXS) imaging is an emerging medical tool that can be used for in vivo detailed tissue characterization and has the potential to provide added contrast to conventional x-ray projection and CT imaging. We used a publicly available MC-GPU code to simulate x-ray trajectories in a SAXS-CT geometry for a target material embedded in a water background material with varying sample sizes (1, 3, 5, and 10 mm). Our target materials were water solution of gold nanoparticle (GNP) spheres with a radius of 6 nm and a water solution with dissolved serum albumin (BSA) proteins due to their well-characterized scatter profiles at small angles and highly scattering properties. The background material was water. Our objective is to study how the reconstructed scatter profile degrades at larger target imaging depths and increasing sample sizes. We have found that scatter profiles of the GNP in water can still be reconstructed at depths up to 5 mm embedded at the center of a 10 mm sample. Scatter profiles of BSA in water were also reconstructed at depths up to 5 mm in a 10 mm sample but with noticeable signal degradation as compared to the GNP sample. This work presents a method to study the sample size limits for future SAXS-CT imaging systems.

  12. Asymmetric grazing incidence small angle x-ray scattering and anisotropic domain wall motion in obliquely grown nanocrystalline Co films.

    PubMed

    Quirós, C; Peverini, L; Díaz, J; Alija, A; Blanco, C; Vélez, M; Robach, O; Ziegler, E; Alameda, J M

    2014-08-22

    Strong asymmetries have been observed in grazing incidence small angle x-ray scattering (GISAXS) in situ patterns obtained from 30 nm-thick nanocrystalline Co films prepared by oblique sputtering (15°-75° off-sample normal). These asymmetries have been qualitatively simulated by a simple model consisting of an ensemble of 8 nm-wide inclined Co nanocolumns. It is found that narrow inclined features appear in the diffuse background resembling those characteristic of faceted systems, which can be used to obtain straightforward non-destructive estimations of buried nanocolumnar grains inclination, even for oblique angles below 45°, when the stronger and broader asymmetric features of the pattern are not yet fully formed. Furthermore, using magneto-optical microscopy, a marked change in the magnetic domain's nucleation and growth process has been observed in the sample prepared at 75°, with the stronger GISAXS asymmetries. Easy axis magnetization reversal starts by a random and homogeneous nucleation of small (∼μm) elongated domains aligned with the nanocolumn's long axis and proceeds through the preferred propagation of head-to-head domain walls (DWs) along the applied field direction. This peculiar magnetic behavior indicates that the strongly anisotropic nanostructuring created by the oblique growth process is equivalent, from a magnetic point of view, to an array of self-assembled buried nanowires. These results show how GISAXS and magneto-optical microscopy can be combined as a powerful tool for correlating the morphology and magnetism of thin nanostructured systems.

  13. A Combined Small-Angle X-ray and Neutron Scattering Study of the Structure of Purified Soluble Gastrointestinal Mucins

    PubMed Central

    Georgiades, Pantelis; di Cola, Emanuela; Heenan, Richard K; Pudney, Paul D A; Thornton, David J; Waigh, Thomas A

    2014-01-01

    The structures of purified soluble porcine gastric (Muc5ac) and duodenal (Muc2) mucin solutions at neutral and acidic pH were examined using small-angle X-ray scattering and small-angle neutron scattering experiments. We provide evidence for the morphology of the network above the semidilute overlap concentration and above the entanglement concentration. Furthermore, we investigated the gelation of both types of mucin solutions in response to a reduction in pH, where we observed the formation of large-scale heterogeneities within the polymer solutions, typical of microphase-separated gels. The concentration dependence of the inhomogeneity length scale (Ξ) and the amplitude of the excess scattering intensity [Iex(0)] are consistent with previously studied gelled synthetic polymeric systems. The persistence lengths of the chains were found to be similar for both Muc5ac and Muc2 from Kratky plots of the neutron data (8 ± 2 nm). © 2014 Wiley Periodicals, Inc. Biopolymers 101: 1154–1164, 2014. PMID:25041765

  14. X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase

    SciTech Connect

    Yennawar, Hemant; Møller, Magda; Gillilan, Richard; Yennawar, Neela

    2011-05-01

    The X-ray crystal structure and a small-angle X-ray scattering solution structure of sheep liver sorbitol dehydrogenase have been determined. The details of the interactions that enable the tetramer scaffold to be the functional biological unit have been analyzed. The X-ray crystal structure of sheep liver sorbitol dehydrogenase (slSDH) has been determined using the crystal structure of human sorbitol dehydrogenase (hSDH) as a molecular-replacement model. slSDH crystallized in space group I222 with one monomer in the asymmetric unit. A conserved tetramer that superposes well with that seen in hSDH (despite belonging to a different space group) and obeying the 222 crystal symmetry is seen in slSDH. An acetate molecule is bound in the active site, coordinating to the active-site zinc through a water molecule. Glycerol, a substrate of slSDH, also occupies the substrate-binding pocket together with the acetate designed by nature to fit large polyol substrates. The substrate-binding pocket is seen to be in close proximity to the tetramer interface, which explains the need for the structural integrity of the tetramer for enzyme activity. Small-angle X-ray scattering was also used to identify the quaternary structure of the tetramer of slSDH in solution.

  15. Design of Ultra Small Angle Neutron Scattering (KIST-USANS) at HANARO Cold Neutron Guide, CG4B

    NASA Astrophysics Data System (ADS)

    Kim, Man-Ho

    2013-03-01

    The ultra small angle neutron scattering instrument can measure the lower limit of scattering vector to near Q ~ 2.0x10-5 Å-1 while the upper limit can reach to an intermediate scattering vector Q ~ 10-2 Å-1 of a typical small angle neutron scattering (SANS) depending on the contrast of sample. USANS is useful when measuring objects that are micron to submicron in size while SANS is useful when measuring objects that are micron to nano in size. When both USANS and SANS were used together, we could measure sizes from micron to nano scale, which is useful when studying the hierarchical structures in the wide scale of Q and total cross-section, d Σ/d Ω(Q). Recently, KIST has developed the USANS (so called KIST-USANS) at HANARO cold neutron guide hall of KAERI. We will present the instrument design, performance, future plan, and some examples of measurements that cover approximately 11 orders of magnitude in the d Σ/d Ω(Q) and 4 orders in the Q. This work was partially supported by the KIST (2v02632) and the National Research Foundation of Korea(NRF) grant funded by the Korea government(MEST) (No. 2012M2B2A4030220)

  16. New method for analyzing the periodic structure of multilayer by differential anomalous small-angle x-ray scattering

    NASA Astrophysics Data System (ADS)

    Kato, K.; Matsubara, E.; Saito, M.; Kosaka, T.; Waseda, Y.; Inomata, K.

    1995-03-01

    A new method has been proposed for analyzing the periodic structure of a multilayered sample by the differential anomalous small-angle X-ray scattering method in the reflection geometry. The scattering peaks due to the periodically layered structure in the small angle region are often observed with a large background intensity. These peak intensities strongly depend upon the anomalous dispersion terms of the constituent element near its absorption edge. Thus, by taking a difference of these peak intensities observed at two energies near the edge, the scattering intensity attributed to various causes can be accurately eliminated except the periodically layered structure. Namely, only the intrinsic peak intensities are precisely determined by this method. Furthermore, this method is the most effective for analyzing the periodic structures of multilayers composed of the next neighboring elements in the periodic table. The experimental details and the usefulness of the present new method have been presented by obtaining the concentration profile of a Cu/Co multilayer using the peak intensity variation arising from the anomalous dispersion terms of Cu and Co near their K absorption edges.

  17. A posteriori determination of the useful data range for small-angle scattering experiments on dilute monodisperse systems.

    PubMed

    Konarev, Petr V; Svergun, Dmitri I

    2015-05-01

    Small-angle X-ray and neutron scattering (SAXS and SANS) experiments on solutions provide rapidly decaying scattering curves, often with a poor signal-to-noise ratio, especially at higher angles. On modern instruments, the noise is partially compensated for by oversampling, thanks to the fact that the angular increment in the data is small compared with that needed to describe adequately the local behaviour and features of the scattering curve. Given a (noisy) experimental data set, an important question arises as to which part of the data still contains useful information and should be taken into account for the interpretation and model building. Here, it is demonstrated that, for monodisperse systems, the useful experimental data range is defined by the number of meaningful Shannon channels that can be determined from the data set. An algorithm to determine this number and thus the data range is developed, and it is tested on a number of simulated data sets with various noise levels and with different degrees of oversampling, corresponding to typical SAXS/SANS experiments. The method is implemented in a computer program and examples of its application to analyse the experimental data recorded under various conditions are presented. The program can be employed to discard experimental data containing no useful information in automated pipelines, in modelling procedures, and for data deposition or publication. The software is freely accessible to academic users. PMID:25995844

  18. Visualization of small GTPase activity with fluorescence resonance energy transfer-based biosensors.

    PubMed

    Aoki, Kazuhiro; Matsuda, Michiyuki

    2009-01-01

    Small GTPases act as molecular switches that regulate a variety of cellular functions, such as proliferation, cell movement and vesicle trafficking. Genetically encoded biosensors based on the principle of fluorescence resonance energy transfer (FRET) can visualize a spatio-temporal activity of small GTPases in living cells, thereby helping us to understand the role of small GTPases intuitively and vividly. Here we describe protocols of live cell imaging with the FRET biosensors. There are several types of FRET biosensors; this protocol focuses on intramolecular or unimolecular FRET biosensors of small GTPases that are made up of donor and acceptor fluorescence proteins, a small GTPase, its binding partner, and, if necessary, a subcellular localization signal. These FRET biosensors uncover the spatio-temporal activity of the small GTPases in living cells, which could not be obtained by conventional biochemical methods. Preparation of FRET biosensors and cell culture takes 6 d. Imaging and processing take 3-4 d to complete.

  19. Synchronization and stochastic resonance of the small-world neural network based on the CPG.

    PubMed

    Lu, Qiang; Tian, Juan

    2014-06-01

    According to biological knowledge, the central nervous system controls the central pattern generator (CPG) to drive the locomotion. The brain is a complex system consisting of different functions and different interconnections. The topological properties of the brain display features of small-world network. The synchronization and stochastic resonance have important roles in neural information transmission and processing. In order to study the synchronization and stochastic resonance of the brain based on the CPG, we establish the model which shows the relationship between the small-world neural network (SWNN) and the CPG. We analyze the synchronization of the SWNN when the amplitude and frequency of the CPG are changed and the effects on the CPG when the SWNN's parameters are changed. And we also study the stochastic resonance on the SWNN. The main findings include: (1) When the CPG is added into the SWNN, there exists parameters space of the CPG and the SWNN, which can make the synchronization of the SWNN optimum. (2) There exists an optimal noise level at which the resonance factor Q gets its peak value. And the correlation between the pacemaker frequency and the dynamical response of the network is resonantly dependent on the noise intensity. The results could have important implications for biological processes which are about interaction between the neural network and the CPG.

  20. Reproducibility and variability of quantitative magnetic resonance imaging markers in cerebral small vessel disease.

    PubMed

    De Guio, François; Jouvent, Eric; Biessels, Geert Jan; Black, Sandra E; Brayne, Carol; Chen, Christopher; Cordonnier, Charlotte; De Leeuw, Frank-Eric; Dichgans, Martin; Doubal, Fergus; Duering, Marco; Dufouil, Carole; Duzel, Emrah; Fazekas, Franz; Hachinski, Vladimir; Ikram, M Arfan; Linn, Jennifer; Matthews, Paul M; Mazoyer, Bernard; Mok, Vincent; Norrving, Bo; O'Brien, John T; Pantoni, Leonardo; Ropele, Stefan; Sachdev, Perminder; Schmidt, Reinhold; Seshadri, Sudha; Smith, Eric E; Sposato, Luciano A; Stephan, Blossom; Swartz, Richard H; Tzourio, Christophe; van Buchem, Mark; van der Lugt, Aad; van Oostenbrugge, Robert; Vernooij, Meike W; Viswanathan, Anand; Werring, David; Wollenweber, Frank; Wardlaw, Joanna M; Chabriat, Hugues

    2016-08-01

    Brain imaging is essential for the diagnosis and characterization of cerebral small vessel disease. Several magnetic resonance imaging markers have therefore emerged, providing new information on the diagnosis, progression, and mechanisms of small vessel disease. Yet, the reproducibility of these small vessel disease markers has received little attention despite being widely used in cross-sectional and longitudinal studies. This review focuses on the main small vessel disease-related markers on magnetic resonance imaging including: white matter hyperintensities, lacunes, dilated perivascular spaces, microbleeds, and brain volume. The aim is to summarize, for each marker, what is currently known about: (1) its reproducibility in studies with a scan-rescan procedure either in single or multicenter settings; (2) the acquisition-related sources of variability; and, (3) the techniques used to minimize this variability. Based on the results, we discuss technical and other challenges that need to be overcome in order for these markers to be reliably used as outcome measures in future clinical trials. We also highlight the key points that need to be considered when designing multicenter magnetic resonance imaging studies of small vessel disease. PMID:27170700

  1. ORNL_SAS: Versatile software for calculation of small-angle x-ray and neutron scattering intensity profiles from arbitrary structures

    SciTech Connect

    Heller, William T; Tjioe, Elina

    2007-01-01

    ORNL{_}SAS is software for calculating solution small-angle scattering intensity profiles from any structure provided in the Protein Data Bank format and can also compare the results with experimental data.

  2. The quaternary structure of the ribosome from E. coli. A neutron small-angle scattering study

    NASA Astrophysics Data System (ADS)

    Nowotny, V.; Nowotny, P.; Voß, H.; Nierhaus, K. H.; May, R. P.

    1989-01-01

    Ribosomes synthesize proteins in living cells. The E. coli ribosome is composed of a small (30S) and a large subunit (50S). They consist of different proteins (21 or 34, respectively) and of ribosomal RNAs (16S or 23S and 5S). The inter-protein distances within the ribosomal subunits can be measured from scattering experiments with selectively labeled protein pairs from which the quaternary distribution of the proteins is reconstructed. We have developed the strategy of the “glassy ribosome”: the rRNAs and the proteins are deuterated such that they reach the same scattering density and are “invisible” in a corresponding buffer solution. A preliminary quaternary map of the 50S subunit which is the result of our new method for the extraction of the distances from the scattering data as well as shape parameters of proteins in situ will be presented.

  3. Altered Spontaneous Brain Activity in Primary Open Angle Glaucoma: A Resting-State Functional Magnetic Resonance Imaging Study

    PubMed Central

    Lin, Fuchun; Chen, Zhiqi; Yan, Xiaoqin; Hao, Yonghong; Zhu, Wenzhen; Zhang, Hong

    2014-01-01

    Background Previous studies demonstrated that primary open angle glaucoma (POAG) is associated with abnormal brain structure; however, little is known about the changes in the local synchronization of spontaneous activity. The main objective of this study was to investigate spontaneous brain activity in patients with POAG using regional homogeneity (ReHo) analysis based on resting state functional magnetic resonance imaging (rs-fMRI). Methodology/Principal Findings Thirty-nine POAG patients and forty-one age- and gender- matched healthy controls were finally included in the study. ReHo values were used to evaluate spontaneous brain activity and whole brain voxel-wise analysis of ReHo was carried out to detect differences by region in spontaneous brain activity between groups. Compared to controls, POAG patients showed increased ReHo in the right dorsal anterior cingulated cortex, the bilateral medial frontal gyrus and the right cerebellar anterior lobe, and decreased ReHo in the bilateral calcarine, bilateral precuneus gryus, bilateral pre/postcentral gyrus, left inferior parietal lobule and left cerebellum posterior lobe. A multiple linear regression analysis was performed to explore the relationships between clinical measures and ReHo by region showed significant group differences in the POAG group. Negative correlations were found between age and the ReHo values of the superior frontal gyrus (r = −0.323, p = 0.045), left calcarine (r = −0.357, p = 0.026) and inferior parietal lobule (r = −0.362, p = 0.024). A negative correlation was found between the ReHo values of the left precuneus and the cumulative mean defect (r = −0.400, p = 0.012). Conclusions POAG was associated with abnormal brain spontaneous activity in some brain regions and such changed regional activity may be associated with clinical parameters. Spontaneous brain activity may play a role in POAG initiation and progression. PMID:24586822

  4. Small-Angle X-ray Scattering and Single-Molecule FRET Spectroscopy Produce Highly Divergent Views of the Low-Denaturant Unfolded State

    SciTech Connect

    Yoo, Tae Yeon; Meisburger, Steve P.; Hinshaw, James; Pollack, Lois; Haran, Gilad; Sosnick, Tobin R.; Plaxco, Kevin

    2012-10-10

    The results of more than a dozen single-molecule Foerster resonance energy transfer (smFRET) experiments suggest that chemically unfolded polypeptides invariably collapse from an expanded random coil to more compact dimensions as the denaturant concentration is reduced. In sharp contrast, small-angle X-ray scattering (SAXS) studies suggest that, at least for single-domain proteins at non-zero denaturant concentrations, such compaction may be rare. Here, we explore this discrepancy by studying protein L, a protein previously studied by SAXS (at 5 C), which suggested fixed unfolded-state dimensions from 1.4 to 5 M guanidine hydrochloride (GuHCl), and by smFRET (at 25 C), which suggested that, in contrast, the chain contracts by 15-30% over this same denaturant range. Repeating the earlier SAXS study under the same conditions employed in the smFRET studies, we observe little, if any, evidence that the unfolded state of protein L contracts as the concentration of GuHCl is reduced. For example, scattering profiles (and thus the shape and dimensions) collected within {approx} 4 ms after dilution to as low as 0.67 M GuHCl are effectively indistinguishable from those observed at equilibrium at higher denaturant. Our results thus argue that the disagreement between SAXS and smFRET is statistically significant and that the experimental evidence in favor of obligate polypeptide collapse at low denaturant cannot be considered conclusive yet.

  5. Auger-electron angular distributions calculated without the two-step approximation: Calculation of angle-resolved resonant Auger spectra of C2 H2

    NASA Astrophysics Data System (ADS)

    Colle, Renato; Embriaco, Davide; Massini, Michol; Simonucci, Stefano; Taioli, Simone

    2004-10-01

    Analytic expressions for the direct, resonant, and interference contributions to the differential cross section of a resonant Auger process, produced by the inner-shell photoionization of a linear molecule either “fixed in space” or belonging to a gas of randomly oriented molecules, have been derived following Dill’s procedures [ Dill , Phys. Rev. Lett. 45, 1393 (1980) ], but going beyond the two-step approximation. Angle-resolved Auger spectra of the C2H2 molecule measured on top of the C1s→π* resonance [ Kivimäki , J. Phys. B 30, 4279 (1997) ] have been calculated together with asymmetry parameters, analyzing also the different contributions to the electron angular distributions.

  6. Structural characterization of AlON by {sup 27}Al MAS NMR and quantum chemistry method[Magic-Angle Spinning Nuclear Magnetic Resonance

    SciTech Connect

    Dai, Y.; Min, X.M.; Nan, C.W.; Pei, X.M.; Ren, H.L.

    1999-07-01

    Aluminum oxynitride (AlON) is a nitrogen-stabilized defective spinel phase of alumina ({gamma}-Al{sub 2}{sub 3}). Its structure has not been well understood so far. Solid-state {sup 27}Al magic-angle spinning nuclear magnetic resonance and quantum chemistry calculation are used to characterize {gamma}-Al{sub 2}O{sub 3} and AlON ceramics in the present study. The resonance spectra clearly show different units (e.g., [AlN{sub 4}], [AlO{sub 4}] and [AlO{sub 6}]) and vary with composition. The calculation shows that the vacancy located at octahedral site is more stable than that located at the tetrahedral site, and nitrogen atoms preferentially replace oxygen atoms in the tetrahedral site, which is in agreement with the experimental analysis by nuclear magnetic resonance.

  7. The stability of high internal phase emulsions at low surfactant concentration studied by small angle neutron scattering.

    PubMed

    Reynolds, Philip A; McGillivray, Duncan J; Mata, Jitendra P; Yaron, Peter N; White, John W

    2010-09-15

    The changes in structure of high internal phase emulsions at low concentrations and at elevated temperature are reported for comparison with the same emulsions under conditions well away from instability. Small angle neutron scattering measurements on aqueous ammonium nitrate droplets dispersed in hexadecane and stabilized by very small quantities of a polyisobutylene-based surfactant (PIBSA) as well as related inverse micellar solutions in hexadecane, have been made as a function of temperature and surfactant concentration. Experimental conditions here favour larger and more deformable droplets than in previous studies. Besides the expected micelles and adsorbed surfactant, planar bilayers of micron lateral extent between touching droplets cover 20% of the droplet surface. Another difference from previous experiments is that the oil phase in the emulsions, and corresponding inverse micellar solutions are different in micellar radii and composition. The differences, and changes with surfactant concentration and temperature, are attributed to fractionation of the polydisperse PIBSA in the emulsions, but not the inverse micellar solutions. At low PIBSA concentration and high temperature the SANS shows emulsion decomposing into separate oil and aqueous phases. This occurs when the micelle concentration reaches a very small but measurable value. The inverse micelles may suppress by steric action long wavelength unstable capillary waves in the bilayers. Depletion repulsion forces here have a minor role in the emulsion stabilization.

  8. Imaging the nanostructure of bone and dentin through small- and wide-angle X-ray scattering.

    PubMed

    Pabisch, Silvia; Wagermaier, Wolfgang; Zander, Thomas; Li, Chenghao; Fratzl, Peter

    2013-01-01

    X-ray scattering is a powerful nondestructive experimental method that is well suited to study biomineralized tissues such as bone. Small-angle X-ray scattering (SAXS) gives information about the size, shape, and predominant orientation of the nanometer-sized mineral particles in the bone. Wide-angle X-ray diffraction (WAXD) allows the characterization of structural parameters, describing size and orientation of the hydroxyapatite crystals. Furthermore, scanning an area with nano- or micrometer-sized X-ray beams allows one to extend this local information to map large bone or dentin sections. Therefore, this method contributes to obtaining information on several length scales simultaneously. Combining results from scanning SAXS and WAXD with those from other position-sensitive methods such as backscattered electron imaging or X-ray fluorescence spectroscopy of the same bone sections allows the exploration of complex biological processes. The method is described and illustrated by a few examples, including the mapping of a complete tooth and the effect of osteoporosis treatment on the bone mineral.

  9. ``Ordered'' structure in dilute solutions of biopolymers as studied by small-angle x-ray scattering

    NASA Astrophysics Data System (ADS)

    Matsuoka, Hideki; Ise, Norio; Okubo, Tsuneo; Kunugi, Shigeru; Tomiyama, Hiroshi; Yoshikawa, Yukihiro

    1985-07-01

    Dilute aqueous solutions of bovine serum albumin, lysozyme, chondroitin sulfate, and tRNA were measured by small-angle x-ray scattering. The scattering curves showed a single, broad peak as was observed for synthetic polyelectrolytes, indicating the presence of an ordered distribution of charged solutes. The intermolecular distance evaluated from the peak position (2Dexpt) increased with decreasing polymer concentration and with increasing salt concentration. Except for chondroitin sulfate, 2Dexpt values were nearly equal to the interparticle distance (2D0) calculated based on the assumption of a uniform distribution. The observed relationship between 2Dexpt and 2D0 was in agreement with the proposal that intermacroion attraction is weak for low-charge density particles under discussion. This attraction and repulsive interparticle interaction create a ``secondary'' minimum in the potential curve enabling ordering to take place. For tRNA, the scattering peak became lower with rising temperature. The fact that only a single, broad peak could be observed was rationalized by invoking the concept of distortions of ordering particles such as the paracrystallinity, and the thermal motion and the crystalline size effect. The correlation hole theory based on repulsive interaction is critically discussed, particularly in light of the experimental fact that the peak position of albumin shifts toward wider angles with increasing number of charges.

  10. Quantitative angle-resolved small-spot reflectance measurements on plasmonic perfect absorbers: impedance matching and disorder effects.

    PubMed

    Tittl, Andreas; Harats, Moshe G; Walter, Ramon; Yin, Xinghui; Schäferling, Martin; Liu, Na; Rapaport, Ronen; Giessen, Harald

    2014-10-28

    Plasmonic devices with absorbance close to unity have emerged as essential building blocks for a multitude of technological applications ranging from trace gas detection to infrared imaging. A crucial requirement for such elements is the angle independence of the absorptive performance. In this work, we develop theoretically and verify experimentally a quantitative model for the angular behavior of plasmonic perfect absorber structures based on an optical impedance matching picture. To achieve this, we utilize a simple and elegant k-space measurement technique to record quantitative angle-resolved reflectance measurements on various perfect absorber structures. Particularly, this method allows quantitative reflectance measurements on samples where only small areas have been nanostructured, for example, by electron-beam lithography. Combining these results with extensive numerical modeling, we find that matching of both the real and imaginary parts of the optical impedance is crucial to obtain perfect absorption over a large angular range. Furthermore, we successfully apply our model to the angular dispersion of perfect absorber geometries with disordered plasmonic elements as a favorable alternative to current array-based designs. PMID:25251075

  11. Beam splitting target reflector based compensation for angular drift of laser beam in laser autocollimation of measuring small angle deviations

    NASA Astrophysics Data System (ADS)

    Zhu, Fan; Tan, Jiubin; Cui, Jiwen

    2013-06-01

    Beam splitting target reflector based compensation for the angular drift of laser beam in laser autocollimation is proposed in this article to improve the measurement accuracy and stability of small angle deviations. A beam splitting target reflector is used to replace the plane mirror in laser autocollimation to generate a reference beam when returning the measurement beam. The reference beam and measurement beam have the same angular drift, but have different sensitivities to the rotation angle of the reflector due to the unique characteristics of the reflector. Thus, the angular drift of laser beam in laser autocollimation can be compensated in real time by using the drift of reference beam. Experimental results indicate that an output stability of 0.085 arc sec in 2 h can be achieved after compensation. And a measurement accuracy of ±0.032 arc sec can be obtained over the range of ±1190 arc sec with an effective resolution of 0.006 arc sec. It is confirmed that the compensation method for the angular drift of laser beam is necessary for improving the measurement accuracy and stability in laser autocollimation.

  12. Theoretical studies on particle shape classification based on simultaneous small forward angle light scattering and aerodynamic sizing

    NASA Astrophysics Data System (ADS)

    Jin-Bi, Zhang; Lei, Ding; Ying-Ping, Wang; Li, Zhang; Jin-Lei, Wu; Hai-Yang, Zheng; Li, Fang

    2016-03-01

    Particle shape contributes to understanding the physical and chemical processes of the atmosphere and better ascertaining the origins and chemical compositions of the particles. The particle shape can be classified by the aspect ratio, which can be estimated through the asymmetry factor measured with angularly resolved light scattering. An experimental method of obtaining the asymmetry factor based on simultaneous small forward angle light scattering and aerodynamic size measurements is described briefly. The near forward scattering intensity signals of three detectors in the azimuthal angles at 120° offset are calculated using the methods of T-matrix and discrete dipole approximation. Prolate spheroid particles with different aspect ratios are used as the shape models with the assumption that the symmetry axis is parallel to the flow axis and perpendicular to the incident light. The relations between the asymmetry factor and the optical size and aerodynamic size at various equivalent sizes, refractive indices, and mass densities are discussed in this paper. The numerically calculated results indicate that an elongated particle may be classified at diameter larger than 1.0 μm, and may not be distinguished from a sphere at diameter less than 0.5 μm. It is estimated that the lowest detected aspect ratio is around 1.5:1 in consideration of the experimental errors. Project supported by the National Natural Science Foundation of China (Grant No. 41275132).

  13. Rod Packing in Chiral Nematic Cellulose Nanocrystal Dispersions Studied by Small-Angle X-ray Scattering and Laser Diffraction.

    PubMed

    Schütz, Christina; Agthe, Michael; Fall, Andreas B; Gordeyeva, Korneliya; Guccini, Valentina; Salajková, Michaela; Plivelic, Tomás S; Lagerwall, Jan P F; Salazar-Alvarez, German; Bergström, Lennart

    2015-06-16

    The packing of cellulose nanocrystals (CNC) in the anisotropic chiral nematic phase has been investigated over a wide concentration range by small-angle X-ray scattering (SAXS) and laser diffraction. The average separation distance between the CNCs and the average pitch of the chiral nematic phase have been determined over the entire isotropic-anisotropic biphasic region. The average separation distances range from 51 nm, at the onset of the anisotropic phase formation, to 25 nm above 6 vol % (fully liquid crystalline phase) whereas the average pitch varies from ≈15 μm down to ≈2 μm as ϕ increases from 2.5 up to 6.5 vol %. Using the cholesteric order, we determine that the twist angle between neighboring CNCs increases from about 1° up to 4° as ϕ increases from 2.5 up to 6.5 vol %. The dependence of the twisting on the volume fraction was related to the increase in the magnitude of the repulsive interactions between the charged rods as the average separation distance decreases.

  14. Beam splitting target reflector based compensation for angular drift of laser beam in laser autocollimation of measuring small angle deviations

    SciTech Connect

    Zhu Fan; Tan Jiubin; Cui Jiwen

    2013-06-15

    Beam splitting target reflector based compensation for the angular drift of laser beam in laser autocollimation is proposed in this article to improve the measurement accuracy and stability of small angle deviations. A beam splitting target reflector is used to replace the plane mirror in laser autocollimation to generate a reference beam when returning the measurement beam. The reference beam and measurement beam have the same angular drift, but have different sensitivities to the rotation angle of the reflector due to the unique characteristics of the reflector. Thus, the angular drift of laser beam in laser autocollimation can be compensated in real time by using the drift of reference beam. Experimental results indicate that an output stability of 0.085 arc sec in 2 h can be achieved after compensation. And a measurement accuracy of {+-}0.032 arc sec can be obtained over the range of {+-}1190 arc sec with an effective resolution of 0.006 arc sec. It is confirmed that the compensation method for the angular drift of laser beam is necessary for improving the measurement accuracy and stability in laser autocollimation.

  15. From Non-equilibrium to Equilibrium: Micellar Kinetics seen by Time-resolved Small-angle Scattering

    NASA Astrophysics Data System (ADS)

    Lund, Reidar

    The kinetic pathways of self-assembled nanostructures are not fully understood. Time-resolved small-angle X-ray/neutron scattering (TR-SAXS/SANS) is powerful technique1 that allows kinetics processes such as nucleation processes2,3 and morphological transitions4,5 to be followed with structural resolution over time scales starting from milliseconds. Neutrons offer the additional advantage of facile contrast variation through H/D substitution schemes, which also allow equilibrium processes such as molecular exchange and diffusion to be studied1 , 6 , 7. Here we will highlight the current capabilities of TR-SAS and show results on the kinetics of polymeric micelles. We will address how the understanding of kinetic pathways can be used control the nanostructure.

  16. In situ probing calcium carbonate formation by combining fast controlled precipitation method and small-angle X-ray scattering.

    PubMed

    Chao, Yanjia; Horner, Olivier; Vallée, Philippe; Meneau, Florian; Alos-Ramos, Olga; Hui, Franck; Turmine, Mireille; Perrot, Hubert; Lédion, Jean

    2014-04-01

    The initial stage of calcium carbonate nucleation and growth, found usually in "natural" precipitation conditions, is still not well understood. The calcium carbonate formation for moderate supersaturation level could be achieved by an original method called the fast controlled precipitation (FCP) method. FCP was coupled with SAXS (small-angle X-ray scattering) measurements to get insight into the nucleation and growth mechanisms of calcium carbonate particles in Ca(HCO3)2 aqueous solutions. Two size distributions of particles were observed. The particle size evolutions of these two distributions were obtained by analyzing the SAXS data. A nice agreement was obtained between the total volume fractions of CaCO3 obtained by SAXS analysis and by pH-resistivity curve modeling (from FCP tests).

  17. Structural investigations of E. Coli dihydrolipoamide dehydrogenase in solution: Small-angle X-ray scattering and molecular docking

    NASA Astrophysics Data System (ADS)

    Dadinova, L. A.; Rodina, E. V.; Vorobyeva, N. N.; Kurilova, S. A.; Nazarova, T. I.; Shtykova, E. V.

    2016-05-01

    Dihydrolipoamide dehydrogenase from Escherichia coli (LpD) is a bacterial enzyme that is involved in the central metabolism and shared in common between the pyruvate dehydrogenase and 2-oxoglutarate dehydrogenase complexes. In the crystal structure, E. coli LpD is known to exist as a dimer. The present work is focused on analyzing the solution structure of LpD by small-angle X-ray scattering, molecular docking, and analytical ultracentrifugation. It was shown that in solution LpD exists as an equilibrium mixture of a dimer and a tetramer. The presence of oligomeric forms is determined by the multifunctionality of LpD in the cell, in particular, the required stoichiometry in the complexes.

  18. Saturation magnetostriction dependence on torsion in amorphous wire as measured by modified small angle magnetization rotation method

    NASA Astrophysics Data System (ADS)

    Chubykalo, O. A.; González, J.; Aragoneses, P.; Blanco, J. M.; Domínguez, L.; González, J. M.

    1997-05-01

    The small angle magnetization rotation (SAMR) method has been applied to the measurement of the torsional dependence of the saturation magnetostriction in a low-magnetostrictive amorphous Co-rich wire. The behaviour of the electric signal picked up from the sense coil has been investigated using experimental and numerical methods. The torsion introduces the first harmonic into the signal but the general formula for the measurement of the saturation magnetostriction remains valid. The conditions for the application of the method are discussed. The measurements of the saturation magnetostriction in the presence of an applied torsion have been carried out for as-quenched and annealed samples using different intensities of the annealing current. The magnetostriction coefficient, λs, depends linearly on the applied stress σ: λs = λs(0) + Aσ. The experimental dependence of the parameters λs(0) and A on the applied torsion and for different thermal treatments of the samples are also presented.

  19. A small-angle X-ray scattering study of alpha-synuclein from human red blood cells

    PubMed Central

    Araki, Katsuya; Yagi, Naoto; Nakatani, Rie; Sekiguchi, Hiroshi; So, Masatomo; Yagi, Hisashi; Ohta, Noboru; Nagai, Yoshitaka; Goto, Yuji; Mochizuki, Hideki

    2016-01-01

    α-synuclein (α-syn) is the main component of Lewy bodies, which are neuropathological hallmarks of patients with Parkinson’s disease. As it has been controversial whether human α-syn from erythrocytes exists as a tetramer under physiological conditions, we tried solving this issue by the small-angle X-ray solution scattering method. Under two different conditions (high ionic strength with a Tris buffer and low ionic strength with an ammonium acetate buffer), no evidence was found for the presence of tetramer. When comparing erythrocyte and recombinant α-syn molecules, we found no significant difference of the molecular weight and the secondary structure although the buffer conditions strongly affect the radius of gyration of the protein. The results indicate that, even though a stable tetramer may not be formed, conformation of α-syn depends much on its environment, which may be the reason for its tendency to aggregate in cells. PMID:27469540

  20. Early nucleation events in the polymerization of actin, probed by time-resolved small-angle x-ray scattering

    PubMed Central

    Oda, Toshiro; Aihara, Tomoki; Wakabayashi, Katsuzo

    2016-01-01

    Nucleators generating new F-actin filaments play important roles in cell activities. Detailed information concerning the events involved in nucleation of actin alone in vitro is fundamental to understanding these processes, but such information has been hard to come by. We addressed the early process of salt-induced polymerization of actin using the time-resolved synchrotron small-angle X-ray scattering (SAXS). Actin molecules in low salt solution maintain a monomeric state by an electrostatic repulsive force between molecules. On mixing with salts, the repulsive force was rapidly screened, causing an immediate formation of many of non-polymerizable dimers. SAXS kinetic analysis revealed that tetramerization gives the highest energetic barrier to further polymerization, and the major nucleation is the formation of helical tetramers. Filaments start to grow rapidly with the formation of pentamers. These findings suggest an acceleration mechanism of actin assembly by a variety of nucleators in cells. PMID:27775032