WorldWideScience

Sample records for angle x-ray scattering

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

    Science.gov (United States)

    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.

  2. Small angle X-ray scattering from hydrating tricalcium silicate

    International Nuclear Information System (INIS)

    The small-angle X-ray scattering technique was used to study the structural evolution of hydrated tricalcium silicate at room temperature. The changes in specific area of the associated porosity and the evolution of density fluctuations in the solid hydrated phase were deduced from the scattering data. A correlation of these variations with the hydration mechanism is tried. (Author)

  3. Small-angle X-ray scattering of solutions

    International Nuclear Information System (INIS)

    The use of synchrotron radiation in small-angle X-ray scattering (SAXS) techniques in biological structural studies is described. The main features of the monochromatic radiation systems and the white radiation systems are considered. The detectors, data acquisition and experimental procedures are briefly described. Experimental results are presented for 1) measurements on dilute solutions and weak scatterers, 2) measurement of conformational transitions, 3) contrast variation experiments, 4) time-resolved measurements and 5) complex contrast variation. (U.K.)

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

    Science.gov (United States)

    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.

  5. Low-angle X-ray scattering from spices

    Energy Technology Data Exchange (ETDEWEB)

    Desouky, O.S. E-mail: omardesouky@yahoo.com; Ashour, Ahmed H.; Abdullah, Mohamed I.; Elshemey, Wael M

    2002-07-01

    Low-angle scattering of X-rays is characterized by the presence of one or more peaks in the forward direction of scattering. These peaks are due to the interference of photons coherently scattered from the molecules of the medium. Thus these patterns are closely linked to the molecular structure of the investigated medium. In this work, low-angle X-ray scattering (LAXS) profiles of five spices; pimpinella anisum (anise), coriandrum sativum (coriander), cuminum cyminum (cumin), foenculum vulgare (fennel) and nigella sativa (nigella or black cumin) are presented after extensive measurements. It is found that all spices exhibit one characteristic peak at a scattering angle around 10 deg. This is equivalent to a value x=0.0565 A{sup -1}, where x=sin({theta}/2)/{lambda}. The full width at half maximum (FWHM) of this peak is found to be characteristic for each type of the investigated spices. The possibility to detect the irradiation of these spices from their LAXS profiles is also examined after 10, 20, 30 and 40 kGy doses of gamma radiation. Except for anise, coriander and cumin at 40 kGy, there are no detectable deviations from the control samples in the scattering profiles of irradiated samples. These results comply with the recommendations of the FDA (US Food and Drug Administration) which defines 30 kGy as the maximum dose for irradiation of spices. The present technique could be used to detect over-irradiation, which causes damage to the molecular structure of some spices.

  6. Magnetic nanoparticles studied by small angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Cristiano Luis Pinto [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica. Grupo de Fluidos Complexos; Antonel, Soledad; Negri, Martin [Universidad de Buenos Aires (UBA) (Argentina). Facultad de Ciencias Exactas y Naturales. Dept. de Quimica Inorganica, Analitica y Quimica Fisica

    2011-07-01

    nanoparticles are very interesting because they exhibit magnetic (ferromagnetic) and electrical properties in the same material. Then, the nickel nanoparticles could be used for the development of electroelastic materials. In this case, the electrical conductivity of the material can be strongly dependent on the applied magnetic field, for example the case of nickel metal nanoparticles dispersed in a polymer, resulting in an anisotropic material with combined piezomagnetic and piezoelectric properties. In order to investigate the structural characteristics of cobalt-iron oxides and nickel nanoparticles, powder samples of those magnetic materials were studied by Small-Angle X-Ray Scattering. As will be shown, from the analysis and modeling of the scattering data, structural information could be obtained, enabling a detailed description of the structural properties of the studied samples which could be directly correlated to the magnetic properties. (author)

  7. Energy-dispersive small-angle X-ray scattering with cone collimation using X-ray capillary optics

    Science.gov (United States)

    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.

  8. X-ray imaging based on small-angle X-ray scattering using spatial coherence of parametric X-ray radiation

    International Nuclear Information System (INIS)

    X-ray imaging based on small-angle X-ray scattering (SAXS) was carried out using the parametric X-ray radiation (PXR) source at the Laboratory for Electron Beam Research and Application (LEBRA) of Nihon University. The experimental setup employed in this novel imaging approach is the same as that employed in diffraction-enhanced imaging (DEI), a kind of X-ray phase-contrast imaging method. In SAXS-based imaging, the image contrast is correlated with the broadening of the rocking curve peak due to the scattering from micron- or sub-micron-sized grains in the sample material. An experiment using the 25.5-keV PXR beam demonstrated that SAXS-based imaging with PXR provides a substantially strong contrast for granular materials despite the extremely low density of the material.

  9. Small-Angle X-ray Scattering Screening Complements Conventional Biophysical Analysis

    DEFF Research Database (Denmark)

    Tian, Xinsheng; Langkilde, Annette Eva; Thorolfsson, Matthias;

    2014-01-01

    introduce small-angle X-ray scattering (SAXS) to characterize antibody solution behavior, which strongly complements conventional biophysical analysis. First, we apply a variety of conventional biophysical techniques for the evaluation of structural, conformational, and colloidal stability and report...

  10. In situ microfluidic dialysis for biological small-angle X-ray scattering

    DEFF Research Database (Denmark)

    Skou, Magda; Skou, Soren; Jensen, Thomas Glasdam;

    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 sim...

  11. X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase

    Energy Technology Data Exchange (ETDEWEB)

    Yennawar, Hemant [Pennsylvania State University, 8 Althouse Laboratory, University Park, PA 16802 (United States); Møller, Magda [Cornell High Energy Synchrotron Source, Ithaca, NY 14853 (United States); University of Copenhagen, DK-2100 Copenhagen (Denmark); Gillilan, Richard [Cornell High Energy Synchrotron Source, Ithaca, NY 14853 (United States); Yennawar, Neela, E-mail: nhy1@psu.edu [Pennsylvania State University, 8 Althouse Laboratory, University Park, PA 16802 (United States)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Round, A R [Daresbury Laboratories, Warrington, WA4 4AD (United Kingdom); Wilkinson, S J [Daresbury Laboratories, Warrington, WA4 4AD (United Kingdom); Hall, C J [Daresbury Laboratories, Warrington, WA4 4AD (United Kingdom); Rogers, K D [Department of Materials and Medical Sciences, Cranfield University, Swindon, SN6 8LA (United Kingdom); Glatter, O [Department of Chemistry, University of Graz (Austria); Wess, T [School of Optometry and Vision Sciences, Cardiff University, Cardiff CF10 3NB, Wales (United Kingdom); Ellis, I O [Nottingham City Hospital, Nottingham (United Kingdom)

    2005-09-07

    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.

  13. Database for rapid protein classification based on small-angle X-ray scattering data

    International Nuclear Information System (INIS)

    A method was developed for rapid protein classification based on comparison of the experimental small-angle X-ray scattering data with scattering curves calculated for proteins with known structures. For this purpose, a database was compiled from about 1500 theoretical scattering curves for proteins with known structures. The potential of this method was illustrated by its application to analysis of the experimental scattering data from sperm whale myoglobin

  14. Application of small-angle X-ray scattering for differentiation among breast tumors

    Directory of Open Access Journals (Sweden)

    Changizi V

    2008-01-01

    Full Text Available Small-angle X-ray scattering (SAXS is an X-ray diffraction-based technique where a narrow collimated beam of X-rays is focused onto a sample and the scattered X-rays recorded by a detector. The pattern of the scattered X-rays carries information on the molecular structure of the material. As breast cancer is the most widespread cancer in women and differentiation among its tumors is important, this project compared the results of coherent X-ray scattering measurements obtained from benign and malignant breast tissues. The energy-dispersive method with a setup including X-ray tube, primary collimator, sample holder, secondary collimator and high-purity germanium (HpGe detector was used. One hundred thirty-one breast-tissue samples, including normal, fibrocystic changes and carcinoma, were studied at the 6° scattering angle. Diffraction profiles (corrected scattered intensity versus momentum transfer of normal, fibrocystic changes and carcinoma were obtained. These profiles showed a few peak positions for adipose (1.15 ± 0.06 nm -1 , mixed normal (1.15 ± 0.06 nm -1 and 1.4 ± 0.04 nm -1 , fibrocystic changes (1.46 ± 0.05 nm -1 and 1.74 ± 0.04 nm -1 and carcinoma (1.55 ± 0.04 nm -1 , 1.73 ± 0.06 nm -1 , 1.85 ± 0.05 nm -1 . We were able to differentiate between normal, fibrocystic changes (benign and carcinoma (malignant breast tissues by SAXS. However, we were unable to differentiate between different types of carcinoma.

  15. Small angle neutron scattering and small angle X-ray scattering studies of platinum-loaded carbon foams

    Indian Academy of Sciences (India)

    P U Sastry; V K Aswal; A G Wagh

    2008-11-01

    The morphology of carbon nanofoam samples comprising platinum nanoparticles dispersed in the matrix was characterized by small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS) techniques. Results show that the structure of pores of carbon matrix exhibits a mass (pore) fractal nature and the average radius of the platinum particles is about 2.5 nm. The fractal dimension as well as the size distribution parameters of platinum particles varies markedly with the platinum content and annealing temperature. Transmission electron micrographs of the samples corroborate the SANS and SAXS results.

  16. Ultrasmall-angle X-ray scattering analysis of photonic crystal structure

    NARCIS (Netherlands)

    Abramova, V.V.; Sinitskii, A.S.; Grigoryeva, N.A.; Grigoriev, S.V.; Belov, D.V.; Petukhov, A.V.; Mistonov, A.A.; Vasilieva, A.V.; Tretyakov, Y.D.

    2009-01-01

    The results of an ultrasmall angle X ray scattering study of iron(III) oxide inverse opal thin films are presented. The photonic crystals examined are shown to have fcc structure with amount of stacking faults varying among the samples. The method used in this study makes it possible to easily disti

  17. Small angle X-ray scattering study of calreticulin reveals conformational plasticity

    DEFF Research Database (Denmark)

    Toft, Katrine Nørgaard; Larsen, Nanna; Jørgensen, Flemming Steen;

    2008-01-01

    Calreticulin plays a central role in vital cell processes such as protein folding, Ca(2+) homeostasis and immunogenicity. Even so, only limited three-dimensional structural information is presently available. We present a series of Small-Angle X-ray Scattering data on human placenta calreticulin...... the functional consequences of the conformational plasticity of the calreticulin P-domain....

  18. Investigation of nanoscale structures by small-angle X-ray scattering in a radiochromic dosimeter

    DEFF Research Database (Denmark)

    Skyt, Peter Sandegaard; Jensen, Grethe Vestergaard; Wahlstedt, Isak Hannes;

    2014-01-01

    This study examines the nanoscale structures in a radiochromic dosimeter that was based on leuco-malachite-green dye and the surfactant sodium dodecyl sulfate (SDS) suspended in a gelatin matrix. Small-angle X-ray scattering was used to investigate the structures of a range of compositions of the...

  19. Determination of hydrodynamic properties of biopolymers from small-angle X-ray scattering data

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, J.J.; Damaschun, H.; Damaschun, G.; Gast, K.; Plietz, P.; Zirwer, D. (Akademie der Wissenschaften der DDR, Berlin. Zentralinstitut fuer Molekularbiologie)

    1984-10-17

    Sedimentation coefficients and translational diffusion coefficients can be determined semi-empirically from small angle X-ray scattering data. In general, the deviations of these coefficients from the experimental ones are less than 10% for proteins and small anisometrical RNA molecules within the range of molar masses from 1.7 x 10/sup 4/ to 3.5 x 10/sup 5/ g mol/sup -1/. The method can be used, furthermore, to test the consistency of experimental hydrodynamic and X-ray scattering data.

  20. X-ray lithography and small-angle X-ray scattering: a combination of techniques merging biology and materials science.

    Science.gov (United States)

    Marmiroli, B; Amenitsch, H

    2012-10-01

    The advent of micro/nanotechnology has blurred the border between biology and materials science. Miniaturization of chemical and biological assays, performed by use of micro/nanofluidics, requires both careful selection of the methods of fabrication and the development of materials designed for specific applications. This, in turn, increases the need for interdisciplinary combination of suitable microfabrication and characterisation techniques. In this review, the advantages of combining X-ray lithography, as fabrication technique, with small-angle X-ray scattering measurements will be discussed. X-ray lithography enables the limitations of small-angle X-ray scattering, specifically time resolution and sample environment, to be overcome. Small-angle X-ray scattering, on the other hand, enables investigation and, consequently, adjustment of the nanostructural morphology of microstructures and materials fabricated by X-ray lithography. Moreover, the effect of X-ray irradiation on novel materials can be determined by use of small-angle X-ray scattering. The combination of top-down and bottom-up methods to develop new functional materials and structures with potential in biology will be reported.

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

    Science.gov (United States)

    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. X-ray spectral determination by detection of radiation scattered at different angles

    International Nuclear Information System (INIS)

    A precise knowledge of the spectral content of an X-ray beam is of fundamental importance in areas such as X-ray fluorescence analysis by absolute methods, radiodiagnosis, radiotherapy, computed tomography, etc. A simple practical method was developed to determine X-ray spectra emitted by X-ray tubes. It is based on the scattering of the beam on a solid target and detection of this radiation at different angles. This methodology can easily be adapted to the successive attenuation of the beam procedure. Numerical parameter values of a proposed analytical function for the energy spectrum are found measuring the radiation intensity with a suitable detector (ionization chamber or plastic scintillation detector) and equating it with the convolution integral of the proposed spectrum with the incoherent scattering function. This procedure of spectra determination is enclosed in the same group of those generically referred as successive modifications of the irradiation set up used in absolute methods of X-ray fluorescence analysis. (Author)

  3. Large-angle x-ray scatter in Talbot–Lau interferometry for breast imaging

    International Nuclear Information System (INIS)

    Monte Carlo simulations were used to investigate large-angle x-ray scatter at design energy of 25 keV during small field of view (9.6 cm × 5 cm) differential phase contrast imaging of the breast using Talbot–Lau interferometry. Homogenous, adipose and fibroglandular breasts of uniform thickness ranging from 2 to 8 cm encompassing the field of view were modeled. Theoretically determined transmission efficiencies of the gratings were used to validate the Monte Carlo simulations, followed by simulations to determine the x-ray scatter reaching the detector. The recorded x-ray scatter was classified into x-ray photons that underwent at least one Compton interaction (incoherent scatter) and Rayleigh interaction alone (coherent scatter) for further analysis. Monte Carlo based estimates of transmission efficiencies showed good correspondence (r2>0.99) with theoretical estimates. Scatter-to-primary ratio increased with increasing breast thickness, ranging from 0.11 to 0.22 for 2–8 cm thick adipose breasts and from 0.12 to 0.28 for 2–8 cm thick fibroglandular breasts. The analyzer grating reduced incoherent scatter by ∼18% for 2 cm thick adipose breast and by ∼35% for 8 cm thick fibroglandular breast. Coherent scatter was the dominant contributor to the total scatter. Coherent-to-incoherent scatter ratio ranged from 2.2 to 3.1 for 2–8 cm thick adipose breasts and from 2.7 to 3.4 for 2–8 cm thick fibroglandular breasts. (paper)

  4. Small-Angle X-Ray Scattering Study on Nanostructures of Polyimide Films

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-Xu; YIN Jing-Hua; SUN Dao-Bin; BU Wen-Bin; CHENG Wei-Dong; WU Zhong-Hua

    2010-01-01

    @@ Inorganic nanohybrid polyimide(PI)is widely applied in electrical and electronic devices for its outstanding insulating properties.Samples 100CR and 100NH are made in Dupont.Among them,100NH is a kind of pure PI films; however,100CR is a kind of inorganic nanohybrid PI/films with excellent corona-resistance.The nanostructure of PI films is investigated with small-angle x-ray scattering technique and transmission electron microscopy(TEM).

  5. Hybrid - block copolymer nanocomposites. characterization of nanostructure by small-angle X-ray scattering (SAXS)

    OpenAIRE

    A. Romo-Uribe

    2007-01-01

    The nanoscopic order of a series of block copolymer-inorganic nanocomposites was characterized using small-angle X-ray scattering (SAXS). The nanostructures were obtained via a diblock copolymer directed sol-gel synthesis. The copolymer consists of blocks of poly(isoprene) -PI- and blocks of poly(ethylene oxide) -PEO. The inorganic material consists of a crosslinked sol of 3-glycidoxypropyltrimethoxysilane and aluminum-tri-sec-butoxide in a 4:1 mole ratio, to generate an aluminosilicate ceram...

  6. Upgrade of the small angle X-ray scattering beamlines at the Photon Factory

    International Nuclear Information System (INIS)

    BL-10C and BL-15A at the Photon Factory, which became operational in 1982, are some of the oldest small angle X-ray scattering beamlines in the world. Recently, both beamlines were upgraded for two-dimensional (2D) SAXS-WAXS experiments. A wide-area imaging plate (IP) detector and a fast-readout flat panel (FP) detector were installed at BL-10C and BL-15A, respectively. Preliminary experiments of both systems showed promising results.

  7. Synchrotron Small-Angle X-ray Scattering Study of Cross-Linked Polymeric Micelles.

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

  9. Radiation embrittlement studies using anomalous small-angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Alexander, D. E.; Kestel, B. J.; Seifert, S.; Jemian, P. R.; Odette, G. R.; Klingensmith, D.; Gragg, D.

    1999-12-06

    Anomalous small angle x-ray scattering (ASAXS) was performed on an Fe-O.9 wt.% Cu-1.0 wt.% Mn alloy subjected to annealing or electron irradiation. ASAXS takes advantage of natural variations in the atomic scattering factor which exist at energies very near an element's x-ray absorption edge. By performing systematic SAXS experiments at energies near these absorption edges of the constituent alloy elements it is possible to vary the contrast of scattering centers containing the elements and in doing so quantify scatterer composition. The results of such an analysis for the samples in this work indicate the presence of Cu-rich, Cu{sub 85}Mn{sub 15} precipitates in the alloy. By applying the maximum entropy technique to the scattering data, it was possible to extract size distributions of scattering centers fog the different treatments. The results demonstrate the ability to detect and characterize small (11 {angstrom} radius) scatterers at quite low irradiation damage levels (5x10{sup {minus} 4} displacements per atom).

  10. Radiation embrittlement studies using anomalous small-angle X-ray scattering

    International Nuclear Information System (INIS)

    Anomalous small angle x-ray scattering (ASAXS) was performed on an Fe-O.9 wt.% Cu-1.0 wt.% Mn alloy subjected to annealing or electron irradiation. ASAXS takes advantage of natural variations in the atomic scattering factor which exist at energies very near an element's x-ray absorption edge. By performing systematic SAXS experiments at energies near these absorption edges of the constituent alloy elements it is possible to vary the contrast of scattering centers containing the elements and in doing so quantify scatterer composition. The results of such an analysis for the samples in this work indicate the presence of Cu-rich, Cu85Mn15 precipitates in the alloy. By applying the maximum entropy technique to the scattering data, it was possible to extract size distributions of scattering centers fog the different treatments. The results demonstrate the ability to detect and characterize small (11 A radius) scatterers at quite low irradiation damage levels (5x10-4 displacements per atom)

  11. Light-Induced Structural Flexibility of Thylakoid Membranes - Investigated using Small-Angle X-ray and Neutron Scattering

    OpenAIRE

    Aagaard, Thomas Helverskov

    2005-01-01

    Using small-angle x-ray and neutron scattering the light-induced structural changes in pea thylakoids have been investigated. It is shown that light-induced shinkage in the thylakoids is connected to photosynthetic electron transduction.

  12. A Microbeam Small-Angle X-ray Scattering Study on Enamel Crystallites in Subsurface Lesion

    Energy Technology Data Exchange (ETDEWEB)

    Yagi, N; Ohta, N; Matsuo, T [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Tanaka, T; Terada, Y; Kamasaka, H; Kometani, T, E-mail: yagi@spring8.or.j [Ezaki Glico Co. Ltd., 4-6-5 Utajima, Nishiyodogawa-ku, Osaka 555-8502 (Japan)

    2010-10-01

    The early caries lesion in bovine tooth enamel was studied by two different X-ray diffraction systems at the SPring-8 third generation synchrotron radiation facility. Both allowed us simultaneous measurement of the small and large angle regions. The beam size was 6{mu}m at BL40XU and 50{mu}m at BL45XU. The small-angle scattering from voids in the hydroxyapatite crystallites and the wide-angle diffraction from the hydroxyapatite crystals were observed simultaneously. At BL40XU an X-ray image intensifier was used for the small-angle and a CMOS flatpanel detector for the large-angle region. At BL45XU, a large-area CCD detector was used to cover both regions. A linear microbeam scan at BL40XU showed a detailed distribution of voids and crystals and made it possible to examine the structural details in the lesion. The two-dimensional scan at BL45XU showed distribution of voids and crystals in a wider region in the enamel. The simultaneous small- and wide-angle measurement with a microbeam is a powerful tool to elucidate the mechanisms of demineralization and remineralization in the early caries lesion.

  13. ORNL 10-m small-angle X-ray scattering camera

    International Nuclear Information System (INIS)

    A new small-angle x-ray scattering camera utilizing a rotating anode x-ray source, crystal monochromatization of the incident beam, pinhole collimation, and a two-dimensional position-sensitive proportional counter was developed. The sample, and the resolution element of the detector are each approximately 1 x 1 mm2, the camera was designed so that the focal spot-to-sample and sample-to-detector distances may each be varied in 0.5-m increments up to 5 m to provide a system resolution in the range 0.5 to 4.0 mrad. A large, general-purpose specimen chamber has been provided into which a wide variety of special-purpose specimen holders can be mounted. The detector has an active area of 200 x 200 mm and has up to 200 x 200 resolution elements. The data are recorded in the memory of a minicomputer by a high-speed interface which uses a microprocessor to map the position of an incident photon into an absolute minicomputer memory address. The data recorded in the computer memory can be processed on-line by a variety of programs designed to enhance the user's interaction with the experiment. At the highest angular resolution (0.4 mrad), the flux incident on the specimen is 1.0 x 106 photons/s with the x-ray source operating at 45 kV and 100 mA. SAX and its associated programs OVF and MOT are high-priority, pre-queued, nonresident foreground tasks which run under the ModComp II MAX III operating system to provide complete user control of the ORNL 10-m small-angle x-ray scattering camera

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

    Energy Technology Data Exchange (ETDEWEB)

    Justice, Ryan S.; Schaefer, Dale W. (UCIN); (AFRL)

    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.

  15. Integrative structural modeling with small angle X-ray scattering profiles

    Directory of Open Access Journals (Sweden)

    Schneidman-Duhovny Dina

    2012-07-01

    Full Text Available Abstract Recent technological advances enabled high-throughput collection of Small Angle X-ray Scattering (SAXS profiles of biological macromolecules. Thus, computational methods for integrating SAXS profiles into structural modeling are needed more than ever. Here, we review specifically the use of SAXS profiles for the structural modeling of proteins, nucleic acids, and their complexes. First, the approaches for computing theoretical SAXS profiles from structures are presented. Second, computational methods for predicting protein structures, dynamics of proteins in solution, and assembly structures are covered. Third, we discuss the use of SAXS profiles in integrative structure modeling approaches that depend simultaneously on several data types.

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

    Science.gov (United States)

    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.

  17. A double area detector system for simultaneous small and wide-angle X-ray scattering

    CERN Document Server

    Pokric, B; Ryan, A J; Fairclough, P; Dobson, B R; Derbyshire, G E; Helsby, W; Long, G; Moon, K

    2002-01-01

    A novel area detector has been designed for material science SR studies, capable of simultaneously collecting the diffraction data in two angular regimes. The detector for collecting wide-angle X-ray scattering (WAXS) data consists of four taper-coupled CCDs arranged as a 2x2 mosaic with a central aperture about 40 mm in diameter, so permitting the inclusion of a distant on-axis CCD detector for small-angle X-ray scattering (SAXS). The distance of the SAXS detector from the sample can be varied over the range 0.27 m to about 2 m. The overall aperture of WAXS detector is approximately 200x200 mm sup 2 allowing the measurement of the diffraction patterns from 5 deg. to 45 deg. with an average angular resolution of 0.05 deg. The parallax error for large angles is substantially reduced as the individual WAXS CCDs are tilted towards the specimen location. Both WAXS and SAXS diffraction data are simultaneously collected at 30 MB/s data rate, which is equivalent to 6 complete frames per second. Each pixel value is d...

  18. Small-angle x-ray scattering measurements of hydrogen evolution from an epitaxial Nb film

    International Nuclear Information System (INIS)

    Small-angle x-ray scattering (SAXS) measurements have been performed to investigate particle morphology during in situ hydrogen evolution from a 1000-A epitaxial Nb film on (112-bar0) sapphire initially loaded to saturation with hydrogen. The SAXS intensity follows the plate or disk single-particle form factor (Q-2, where Q is the wave-vector transfer) during hydrogen evolution. A fit to this power-law behavior yields a plate thickness of ≅7 A. A second power-law behavior (Q-3) was observed after complete hydrogen evolution. This power law corresponds to the small-angle scattering response from edge dislocations and is consistent with the broadening of the lattice mosaic induced by hydride decomposition

  19. Effect of Cobalt Fillers on Polyurethane Segmentations Investigated by Synchrotron Small Angle X-Ray Scattering

    Directory of Open Access Journals (Sweden)

    Krit Koyvanich

    2013-01-01

    Full Text Available The segmentation between rigid and rubbery chains in polyurethanes (PUs influences polymeric properties and implementations. Several models have successfully been proposed to visualize the configuration between the hard segment (HS and soft segment (SS. For particulate PU composites, the arrangement of HS and SS is more complicated because the fillers tend to disrupt the chain formation and segmentation. In this work, the effect of ferromagnetic cobalt (Co powders (average diameter 2 μm on PU synthesized from a reaction between polyether polyol (soft segment and diphenylmethane-4,4′-diisocyanate (hard segment was studied with varying loadings (0, 20, 40, and 60 wt.%. The 300 μm thick PU/Co samples were tape-casted and then received heat treatment at 80°C for 180 min. From synchrotron small angle X-ray scattering (SAXS, the plot of the X-ray scattering intensity (I against the scattering vector (q exhibited a typical single peak of PU whose intensity was reduced by the increase in the Co loading. Characteristic SAXS peaks in the case of 0-20 wt.% Co agreed well with the scattering by globular hard segment domains according to Zernike-Prins and Percus-Yevick models. The higher Co loadings led to larger deviations from all theoretical models.

  20. Structure Factor of Dimyristoylphosphatidylcholine Unilamellar Vesicles Small-Angle X-Ray Scattering Study

    CERN Document Server

    Kiselev, M A; Kisselev, A M; Lesieur, P; Aksenov, V L

    2003-01-01

    Small-angle X-ray scattering (SAXS) experiments have been performed on dimyristoylphosphatidylcholine (DMPC) unilamellar vesicles in 40 % aqueous sucrose solution. Model of separated form factors was applied for the evaluation of SAXS curves from large unilamellar vesicles. For the first time vesicle structure factor, polydispersity, average radius and membrane thickness were calculated simultaneously from the SAXS curves at T=306{\\circ}C for DMPC concentrations in the range from 15 to 75 mM (1-5 % w/w). Structure factor correction to the scattering curve was shown to be negligibly small for the lipid concentration of 15 mM (1 % w/w). It was proved to be necessary to introduce structure factor correction to the scattering curves for lipid concentrations {\\ge}30 mM (2 % w/w).

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

    Energy Technology Data Exchange (ETDEWEB)

    Grant, Thomas D. [Hauptman–Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203 (United States); Luft, Joseph R. [Hauptman–Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203 (United States); SUNY Buffalo, 700 Ellicott Street, Buffalo, NY 14203 (United States); Carter, Lester G.; Matsui, Tsutomu; Weiss, Thomas M.; Martel, Anne [Stanford Synchrotron Radiation Lightsource, 2575 Sand Hill Road, MS69, Menlo Park, CA 94025 (United States); Snell, Edward H., E-mail: esnell@hwi.buffalo.edu [Hauptman–Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203 (United States); SUNY Buffalo, 700 Ellicott Street, Buffalo, NY 14203 (United States)

    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.

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

    International Nuclear Information System (INIS)

    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

  3. Small-angle x-ray scattering study on the structure of microcrystalline and nanofibrillated cellulose

    Energy Technology Data Exchange (ETDEWEB)

    Leppaenen, Kirsi; Pirkkalainen, Kari; Penttilae, Paavo; Serimaa, Ritva [Division of Materials Physics, Department of Physics, P.O.B. 64, FI-00014 University of Helsinki (Finland); Sievaenen, Jenni [VTT, Espoo (Finland); Kotelnikova, Nina, E-mail: kirsi.leppanen@helsinki.f [Institute of Macromolecular Compounds, Russian Academy of Sciences, Bolshoy pr. 31, St. Petersburg 199004 (Russian Federation)

    2010-10-01

    The effects of different solvents on the structure of microcrystalline and nanofibrillated cellulose (MCC, NFC) were studied using small-angle x-ray scattering (SAXS). MCC was immersed in water, ethanol, and acetone, and NFC was immersed only in water and ethanol, but studied also in the form of foam-like water-NFC-gel in wet, air-dried and re-wet states. The solvent affected the average chord length, which reveals the typical length scale of the structure of the sample: 2.4 {+-} 0.1 nm was obtained for MCC-water, 2.5 {+-} 0.1 nm for re-wet NFC-gel, 1.6 {+-} 0.1 nm for MCC-ethanol, 1.2 {+-} 0.1 nm for NFC-ethanol, and 1.3 {+-} 0.1 nm for MCC-acetone. The specific surface of cellulose increased strongly when MCC and NFC were immersed in the solvents compared to dry cellulose. The specific surface of cellulose was determined to be larger for NFC-water than MCC-water, and slightly larger for dry NFC powder than for dry MCC, which can be explained by the fact that the width of cellulose crystallites perpendicular to the cellulose chain direction was slightly larger in MCC than in NFC on the basis of wide-angle x-ray scattering results.

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

    Science.gov (United States)

    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.

  5. Density of hydrophobically confined deeply cooled water investigated by small angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Kao-Hsiang, E-mail: codeliu@gmail.com [Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan (China); Joint Institute for Neutron Science, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Zhang, Yang [Department of Nuclear, Plasma, and Radiological Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Jeng, U-Ser [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China); Mou, Chung-Yuan [Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan (China)

    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.

  6. Density of hydrophobically confined deeply cooled water investigated by small angle X-ray scattering.

    Science.gov (United States)

    Liu, Kao-Hsiang; Zhang, Yang; Jeng, U-Ser; Mou, Chung-Yuan

    2015-09-01

    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 (αp) 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 αp 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. PMID:26342380

  7. Study of human blood and hemocomponents irradiated by low angle x ray scattering (LAXS)

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Nivia G. Villela; Barroso, Regina C. [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Inst. de Fisica. Dept. de Fisica Aplicada e Termodinamica], e-mail: nitatag@gmail.com; Mota, Carla L.S.; Almeida, Andre P.; Azeredo, Soraia R.; Braz, Delson [Coordenacao dos Programas de Pos-graduacao em Engenharia (COPPE/UFRJ), RJ (Brazil). Lab. de Instrumentacao Nuclear], e-mail: delson@lin.ufrj.br

    2009-07-01

    Irradiation of blood and blood components is currently practiced in developed and in a few developing countries. The main purpose of this process is the prevention of graft versus host disease in immunodeficient patients. The Food and Drug Administration recommends a dose range of 15 Gy to 25 Gy for these blood components. When x-ray photons are scattered from biological samples, their angular distribution shows one or more peaks in the forward direction of scattering. These peaks are characteristic for the investigated samples. Due to its wide range of biological and medical applications, low-angle x-ray scattering has attracted the attention of many authors. Thus in this present work was studied the possible variations in scattering profiles due to the irradiation when the gender of patients was considered. Fresh blood specimens were obtained from volunteers using vacutainer tubes containing EDTA, at the Dr. Eliel Figueiredo Laboratory, Rio de Janeiro. All the samples were lyophilized for 48 hours in a freeze drier in order to remove the water. The scattering measurements were carried out in e-2e reflection geometry using a powder diffractometer Shimadzu XRD- 6000. The measured characterization parameters for LAXS were associated with epidemiological data (gender). The mean values of the different parameters were compared using the Students's t-test for each characterization parameters. The scattering profiles from plasma and formed elements are characterized by the presence of two peaks in the forward direction of scattering. For epidemiological data (gender) analyzed was not found significant changes in the mostly of characterization parameters (p>0.05). (author)

  8. X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase

    DEFF Research Database (Denmark)

    Yennawar, Hemant; Møller, Magda; Gillilan, Richard;

    2011-01-01

    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...... 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...

  9. Application of X-ray absorption spectroscopy and anomalous small angle scattering to RNA polymerase

    International Nuclear Information System (INIS)

    X-ray absorption spectroscopy is ideally suited for the investigation of the electronic structure and the local environment (≤∝5 A) of specific atoms in biomolecules. While the edge region provides information about the valence state of the absorbing atom, the chemical identity of neighboring atoms, and the coordination geometry, the EXAFS region contains information about the number and average distance of neighboring atoms and their relative disorder. The development of sensitive detection methods has allowed studies using near-physiological concentrations (as low as ∝100 μM). With careful choice of model compounds, judicious use of fitting procedures, and consideration of the results of biochemical and other spectrOScopic results, this data has provided pivotal information about the structures of these active sites which store energy in their conformation changes or ligand exchanges. Although the application of anomalous small angle scattering to biomolecules has occurred more recently, it clearly provides a method of determining distances between active sites that are outside the range of X-ray absorption spectroscopy. The wavelength dependence of the X-ray scattering power varies rapidly near the edge of the absorbing atom in both amplitude and phase. This behavior selectively alters the contribution of the absorbing atom to the scattering pattern. The structure-function relationship of the intermediate states provide the key to understanding the mechanisms of these complex molecules. It is this precise structural information about the active sites that is not obtainable by other spectroscopic techniques. Combination of these techniques offers a unique approach to the determination of the organization of active sites in biomolecules, especially metalloenzymes. Application of these methods to the substrate and template binding sites of RNA polymerase which contain zinc atoms demonstrates the versatility of this approach. (orig.)

  10. Particle-scale structure in frozen colloidal suspensions from small-angle x-ray scattering

    KAUST Repository

    Spannuth, Melissa

    2011-02-01

    During directional solidification of the solvent in a colloidal suspension, the colloidal particles segregate from the growing solid, forming high-particle-density regions with structure on a hierarchy of length scales ranging from that of the particle-scale packing to the large-scale spacing between these regions. Previous work has concentrated mostly on the medium- to large-length scale structure, as it is the most accessible and thought to be more technologically relevant. However, the packing of the colloids at the particle scale is an important component not only in theoretical descriptions of the segregation process, but also to the utility of freeze-cast materials for new applications. Here we present the results of experiments in which we investigated this structure across a wide range of length scales using a combination of small-angle x-ray scattering and direct optical imaging. As expected, during freezing the particles were concentrated into regions between ice dendrites forming a microscopic pattern of high- and low-particle-density regions. X-ray scattering indicates that the particles in the high-density regions were so closely packed as to be touching. However, the arrangement of the particles does not conform to that predicted by standard interparticle pair potentials, suggesting that the particle packing induced by freezing differs from that formed during equilibrium densification processes. © 2011 American Physical Society.

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

    Science.gov (United States)

    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.

  12. High-resolution soft-X-ray beamline ADRESS at Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

    OpenAIRE

    Strocov, V. N.; Schmitt, T; U. Flechsig; Schmidt, T.; Imhof, A; Q. Chen; J. Raabe; Betemps, R.; Zimoch, D.; Krempasky, J.; A. Piazzalunga; X Wang; Grioni, M.; Patthey, L.

    2009-01-01

    We describe the concepts and technical realization of the high-resolution soft-X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for Resonant Inelastic X-ray Scattering (RIXS) and Angle-Resolved Photoelectron Spectroscopy (ARPES). The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0-180 deg rotatable linear polarizations) but als...

  13. High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

    OpenAIRE

    Strocov, V. N.; Schmitt, T; U. Flechsig; Schmidt, T.; Imhof, A; Q. Chen; J. Raabe; Betemps, R.; Zimoch, D.; Krempasky, J.; X Wang; Grioni, M.; A. Piazzalunga; Patthey, L.

    2010-01-01

    The concepts and technical realisation of the high-resolution soft X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for resonant inelastic X-ray scattering (RIXS) and angle-resolved photoelectron spectroscopy (ARPES) are described. The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0–180° rotatable linear polarizations) but also...

  14. Low-angle X-ray scattering properties of irradiated spices

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, A.P.G. [Nuclear Instrumentation Laboratory (LIN/COPPE), P. O. Box 68509, 21945-970, Rio de Janeiro RJ (Brazil)], E-mail: delson@lin.ufrj.br; Braz, D. [Nuclear Instrumentation Laboratory (LIN/COPPE), P. O. Box 68509, 21945-970, Rio de Janeiro RJ (Brazil); Barroso, R.C. [Physics Institute (IF/UERJ), University of Rio de Janeiro State, 20550-900 Rio de Janeiro RJ (Brazil); Lopes, R.T. [Nuclear Instrumentation Laboratory (LIN/COPPE), P. O. Box 68509, 21945-970, Rio de Janeiro RJ (Brazil)

    2007-09-21

    The scattering of X-rays at low angles (LAXS) is a technique dominated by the coherent scattering process. One characteristic observation of low-angle coherent scattering is the so-called molecular interference effect, being characterized by the presence of one or more peaks in the forward direction of scattering. In the present study, LAXS profiles from five different spices are carefully measured in order to establish characteristic scattering signatures. Samples of Ceylon cinnamon, cumin, nutmeg, paprika and black pepper were bought in local market in Rio de Janeiro, Brazil. The LAXS patterns were obtained using a Shimadzu DRX 6000 diffractometer in reflection geometry. Coherent scattering patterns are measured for the samples for {theta}=5-35{sup o}. The data were collected in 0.05{sup o} increments every 3 s. In order to evaluate the possible molecular structure changes caused to the irradiation procedure, the signatures obtained for control (non-irradiated) spices were compared with spice samples irradiated with different doses varying from 3 to 40 kGy. The LAXS patterns of all samples were obtained after 30, 60, 90, 120 days to evaluate the effect of storage period. Scattering profiles from spices irradiated with different irradiation doses were obtained and the results compared. For each spice, there is no considerable deviation in shape in function of the irradiation dose. It indicates that the molecular structure of each analyzed spices is preserved considering the dose range chosen. The results show that the molecular structure was found to be stable during storage at the ambient temperature for up to 4 months.

  15. Low-angle X-ray scattering properties of irradiated spices

    Science.gov (United States)

    Almeida, A. P. G.; Braz, D.; Barroso, R. C.; Lopes, R. T.

    2007-09-01

    The scattering of X-rays at low angles (LAXS) is a technique dominated by the coherent scattering process. One characteristic observation of low-angle coherent scattering is the so-called molecular interference effect, being characterized by the presence of one or more peaks in the forward direction of scattering. In the present study, LAXS profiles from five different spices are carefully measured in order to establish characteristic scattering signatures. Samples of Ceylon cinnamon, cumin, nutmeg, paprika and black pepper were bought in local market in Rio de Janeiro, Brazil. The LAXS patterns were obtained using a Shimadzu DRX 6000 diffractometer in reflection geometry. Coherent scattering patterns are measured for the samples for θ=5-35°. The data were collected in 0.05° increments every 3 s. In order to evaluate the possible molecular structure changes caused to the irradiation procedure, the signatures obtained for control (non-irradiated) spices were compared with spice samples irradiated with different doses varying from 3 to 40 kGy. The LAXS patterns of all samples were obtained after 30, 60, 90, 120 days to evaluate the effect of storage period. Scattering profiles from spices irradiated with different irradiation doses were obtained and the results compared. For each spice, there is no considerable deviation in shape in function of the irradiation dose. It indicates that the molecular structure of each analyzed spices is preserved considering the dose range chosen. The results show that the molecular structure was found to be stable during storage at the ambient temperature for up to 4 months.

  16. Small angle x-ray scattering and electron microscopy of nanoparticles formed in an electrical arc

    Directory of Open Access Journals (Sweden)

    E. Carvou

    2013-03-01

    Full Text Available Small Angle X-ray Scattering has been used to characterize nanoparticles generated by electrical arcing between metallic (AgSnO2 electrodes. The particles are found to have diameters between 30 and 40 nm and display smooth surfaces suggesting that they are either in liquid form or have solidified from the liquid state. Particles collected around the electrodes were analyzed by Transmission Electron Microscopy and were seen to be much larger than those seen in the SAXS measurement, to be spherical in form and composed of silver metal with irregular tin oxide particles deposited on their surface. Mixed metal nanoparticles can have important practical applications and the use of mixed sintered electrodes may be a direct method for their production.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  18. Application of small angle X-ray scattering synchrotron technology for measuring ovine meat quality.

    Science.gov (United States)

    Hoban, J M; Hopkins, D L; Kirby, N; Collins, D; Dunshea, F R; Kerr, M G; Bailes, K; Cottrell, J J; Holman, B W B; Brown, W; Ponnampalam, E N

    2016-07-01

    A small angle X-ray scattering (SAXS) synchrotron was used to evaluate 100 ovine m. longissimus lumborum, representing lamb (n=50) and sheep (n=50). The diffraction of X-rays gives information on muscle myofibril structure and fat content. The linear relationships between SAXS measures with measures such as, shear force, intramuscular fat content (IMF) and collagen content/solubility, were investigated. A relationship was found between the d-spacing of the actin/myosin fibril spacing (SAX1 and SAX2) and the cross sectional area of the rhombohedral unit cell (Cell area) and shear force after 1 and 5day ageing. There was a positive relationship between IMF and a SAXS Fat area measure. There was a muscle site effect on SAX1, SAX2 and Cell area, with the cranial site having a larger distance between myofibrils. The potential of SAXS as a powerful research tool to determine not only the structural components of ovine tenderness, but also the fat content related to IMF is evident. PMID:26971308

  19. Alzheimer's disease imaging biomarkers using small-angle x-ray scattering

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  2. Nano-scale morphology of melanosomes revealed by small-angle X-ray scattering.

    Directory of Open Access Journals (Sweden)

    Thomas Gorniak

    Full Text Available 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.

  3. Scanning of Adsorption Hysteresis In Situ with Small Angle X-Ray Scattering

    Science.gov (United States)

    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

  4. Counterion Distribution Around Protein-SNAs probed by Small-angle X-ray scattering

    Science.gov (United States)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    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.

  6. Studies of protein structure in solution and protein folding using synchrotron small-angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    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.

  7. Parallel GPGPU Evaluation of Small Angle X-ray Scattering Profiles in a Markov Chain Monte Carlo Framework

    DEFF Research Database (Denmark)

    Antonov, Lubomir Dimitrov; Andreetta, Christian; Hamelryck, Thomas Wim

    2013-01-01

    Inference of protein structure from experimental data is of crucial interest in science, medicine and biotechnology. Low-resolution methods, such as small angle X-ray scattering (SAXS), play a major role in investigating important biological questions regarding the structure of proteins in soluti...

  8. Studying nanostructure gradients in injection-molded polypropylene/montmorillonite composites by microbeam small-angle x-ray scattering

    DEFF Research Database (Denmark)

    Stribeck, Norbert; Schneider, Konrad; Zeinolebadi, Ahmad;

    2014-01-01

    The core–shell structure in oriented cylindrical rods of polypropylene (PP) and nanoclay composites (NCs) from PP and montmorillonite (MMT) is studied by microbeam small-angle x-ray scattering (SAXS). The structure of neat PP is almost homogeneous across the rod showing regular semicrystalline st...

  9. Monitoring the recrystallisation of amorphous xylitol using Raman spectroscopy and wide-angle X-ray scattering.

    Science.gov (United States)

    Palomäki, Emmi; Ahvenainen, Patrik; Ehlers, Henrik; Svedström, Kirsi; Huotari, Simo; Yliruusi, Jouko

    2016-07-11

    In this paper we present a fast model system for monitoring the recrystallization of quench-cooled amorphous xylitol using Raman spectroscopy and wide-angle X-ray scattering. The use of these two methods enables comparison between surface and bulk crystallization. Non-ordered mesoporous silica micro-particles were added to the system in order to alter the rate of crystallization of the amorphous xylitol. Raman measurements showed that adding silica to the system increased the rate of surface crystallization, while X-ray measurements showed that the rate of bulk crystallization decreased. Using this model system it is possible to measure fast changes, which occur in minutes or within a few hours. Raman-spectroscopy and wide-angle X-ray scattering were found to be complementary techniques when assessing surface and bulk crystallization of amorphous xylitol. PMID:27163527

  10. Simbol-X Mirror Module Thermal Shields: II-Small Angle X-Ray Scattering Measurements

    International Nuclear Information System (INIS)

    The formation flight configuration of the Simbol-X mission implies that the X-ray mirror module will be open to Space on both ends. In order to reduce the power required to maintain the thermal stability and, therefore, the high angular resolution of the shell optics, a thin foil thermal shield will cover the mirror module. Different options are presently being studied for the foil material of these shields. We report results of an experimental investigation conducted to verify that the scattering of X-rays, by interaction with the thin foil material of the thermal shield, will not significantly affect the performances of the telescope.

  11. Introducing a standard method for experimental determination of the solvent response in laser pump, x-ray probe time-resolved wide-angle x-ray scattering experiments on systems in solution

    DEFF Research Database (Denmark)

    Kjær, Kasper Skov; Brandt van Driel, Tim; Kehres, Jan;

    2013-01-01

    In time-resolved laser pump, X-ray probe wide-angle X-ray scattering experiments on systems in solution the structural response of the system is accompanied by a solvent response. The solvent response is caused by reorganization of the bulk solvent following the laser pump event, and in order...... response-the solvent term-experimentally when applying laser pump, X-ray probe time-resolved wide-angle X-ray scattering. The solvent term describes difference scattering arising from the structural response of the solvent to changes in the hydrodynamic parameters: pressure, temperature and density. We...... is demonstrated to exhibit first order behaviour with respect to the amount of energy deposited in the solution. We introduce a standardized method for recording solvent responses in laser pump, X-ray probe time-resolved X-ray wide-angle scattering experiments by using dye mediated solvent heating. Furthermore...

  12. Lysozyme crystal growth, as observed by small angle X-ray scattering, proceeds without crystallization intermediates

    International Nuclear Information System (INIS)

    A combination of small angle X-ray scattering and gel techniques was used to follow the kinetics of protein crystal growth as a function of time. Hen egg white lysozyme, at different protein concentrations, was used as a model system. A new sample holder was designed, in which supersaturation is induced in the presence of salt by decreasing the temperature. It had been shown previously that a decrease in temperature and/or an increase in crystallizing agent induces an increase in the attractive interactions present in the lysozyme solutions, the lysozyme remaining monomeric. In the present paper we show that similar behaviour is observed in NaCl when agarose gels are used. During crystal growth, special attention was paid to determine whether oligomers were formed as the protein in solution was incorporated in the newly formed crystals. From these first series of experiments, we did not find any indication of oligomer formation between monomer in solution and crystal. The results obtained are in agreement with the hypothesis that lysozyme crystals in NaCl grow by addition of monomeric particles. (orig.)

  13. Crystal Growth through Progressive Densification Identified by Synchrotron Small-Angle X-ray Scattering

    International Nuclear Information System (INIS)

    For the first time, evolution of the interfacial structure of aluminum hydroxide nuclei forming within concentrated caustic solutions has been examined in situ in real time. In both dilute and concentrated caustic aluminate solutions (NaOH = 1.0 and 3.0 M, respectively, (NaOH)/(Al) = 1.22), the measured synchrotron small-angle X-ray scattering data indicate distinctly different surface structures throughout the maturation process. In the dilute solution, the data are consistent with a thin layer of less dense, recently accreted material on the surface of large fully dense particles -- consistent with the familiar model process of species attachment to well-faceted surfaces. In contrast to this, the data for the concentrated solution are consistent with large diffuse particles growing with a mass fractal dimension of approximately 2.5 which densify to form rough surface fractal particles on maturation. This unusual densification crystallization mechanism may occur in analogous concentrated systems where the fractal structures may be entropically stablized.

  14. Automated acquisition and analysis of small angle X-ray scattering data

    International Nuclear Information System (INIS)

    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.

  15. Topological investigation of electronic silicon nanoparticulate aggregates using ultra-small-angle X-ray scattering

    International Nuclear Information System (INIS)

    The network topology of two types of silicon nanoparticles, produced by high energy milling and pyrolysis of silane, in layers deposited from inks on permeable and impermeable substrates has been quantitatively characterized using ultra-small-angle X-ray scattering, supported by scanning electron microscopy observations. The milled particles with a highly polydisperse size distribution form agglomerates, which in turn cluster to form larger aggregates with a very high degree of aggregation. Smaller nanoparticles with less polydisperse size distribution synthesized by thermal catalytic pyrolysis of silane form small open clusters. The Sauter mean diameters of the primary particles of the two types of nanoparticles were obtained from USAXS particle volume to surface ratio, with values of ∼41 and ∼21 nm obtained for the high energy milled and pyrolysis samples, respectively. Assuming a log-normal distribution of the particles, the geometric standard deviation of the particles was calculated to be ∼1.48 for all the samples, using parameters derived from the unified fit to the USAXS data. The flow properties of the inks and substrate combination lead to quantitative changes in the mean particle separation, with slowly curing systems with good capillary flow resulting in denser networks with smaller aggregates and better contact between particles.

  16. Structural characterization of the human cerebral myelin sheath by small angle x-ray scattering

    Science.gov (United States)

    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.

  17. An Assessment of Critical Dimension Small Angle X-ray Scattering Metrology for Advanced Semiconductor Manufacturing

    Science.gov (United States)

    Settens, Charles M.

    Simultaneous migration of planar transistors to FinFET architectures, the introduction of a plurality of materials to ensure suitable electrical characteristics, and the establishment of reliable multiple patterning lithography schemes to pattern sub-10 nm feature sizes imposes formidable challenges to current in-line dimensional metrologies. Because the shape of a FinFET channel cross-section immediately influences the electrical characteristics, the evaluation of 3D device structures requires measurement of parameters beyond traditional critical dimension (CD), including their sidewall angles, top corner rounding and footing, roughness, recesses and undercuts at single nanometer dimensions; thus, metrologies require sub-nm and approaching atomic level measurement uncertainty. Synchrotron critical dimension small angle X-ray scattering (CD-SAXS) has unique capabilities to non-destructively monitor the cross-section shape of surface structures with single nanometer uncertainty and can perform overlay metrology to sub-nm uncertainty. In this dissertation, we perform a systematic experimental investigation using CD-SAXS metrology on a hierarchy of semiconductor 3D device architectures including, high-aspect-ratio contact holes, H 2 annealed Si fins, and a series of grating type samples at multiple points along a FinFET fabrication process increasing in structural intricacy and ending with fully fabricated FinFET. Comparative studies between CD-SAXS metrology and other relevant semiconductor dimensional metrologies, particularly CD-SEM, CD-AFM and TEM are used to determine physical limits of CD-SAXS approach for advanced semiconductor samples. CD-SAXS experimental tradeoffs, advice for model-dependent analysis and thoughts on the compatibility with a semiconductor manufacturing environment are discussed.

  18. Small angle X-ray and neutron scattering from solutions of biological macromolecules

    CERN Document Server

    Svergun, Dmitri I; May, Roland P; Timmins, Peter A

    2013-01-01

    In this book, following the presentation of the basics of scattering from isotropic macromolecular solutions, modern instrumentation, experimental practice and advanced analysis techniques are explained. Advantages of X-rays (rapid data collection, small sample volumes) and of neutrons (contrast variation by hydrogen/deuterium exchange) are specifically highlighted. Examples of applications of the technique to different macromolecular systems are considered with specific emphasis on the synergistic use of SAXS/SANS with other structural, biophysical and computational techniques.

  19. Simultaneous measurement of X-ray small angle scattering, absorption and reactivity: A continuous flow catalysis reactor

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sungsik; Lee, Byeongdu; Seifert, Soenke [X-ray Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Vajda, Stefan [Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Department of Chemical Engineering, Yale University, 9 Hillhouse Avenue, New Haven, CT 06520 (United States); Winans, Randall E., E-mail: rewinans@anl.gov [X-ray Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States)

    2011-09-01

    A fixed-bed, continuous flow catalysis reactor is described, in which GISAXS (grazing incidence small angle X-ray scattering)/GIXAS (grazing incidence X-ray absorption spectroscopy) and TPR (temperature-programmed reaction) can be measured simultaneously on samples with low metal coverage. The capabilities offered by this setup are illustrated in the example of the dehydrogenation of cyclohexene, where the size, oxidation state and reactivity of supported cobalt clusters were investigated under ambient pressure conditions. The GIXAS data reveal an evolution of the oxidation state of the catalytic particles with temperature. Simultaneously recorded GISAXS data show stable clusters, without any indication of sintering under employed reaction conditions.

  20. Application of Small Angle X-ray Scattering (SAXS for Differentiation between Normal and Cancerous Breast Tissue

    Directory of Open Access Journals (Sweden)

    2005-07-01

    Full Text Available Introduction: Small angle, between 3° and 10°, X ray scattering is predominantly coherent giving rise to diffraction effects that can be observed as constructive and destructive interferences. These interferences carry information about the molecular structure of the tissue and hence can be used to identify changes that occur due to cancer. Method: In this study an energy dispersive X-ray diffraction method was used. The optimum scattering angle, determined from a series of measurements on adipose breast tissue at several angles from 4 to 7.3 degrees, was found to be 6.5°. Once optimized the system was used to measure the diffraction profiles (corrected scattered intensity versus momentum transfer of a total of 99 breast tissue samples. The samples were both normal and tumour samples. Results: Adipose tissue showed a sharp, high intensity peak at low momentum transfer values of approximately 1.1nm-1. Adipose tissue, mixed tissue (adipose & fibroglandular and tumor have peaks at different values of momentum transfer that can be used to identify the tissue. Benign and malignant breast tissues can also be differentiated by both peak positions and peak heights. It was also observed that the results were reproducible even after the tissue had been preserved at liquid nitrogen temperatures. Conclusion: We were able to differentiate between normal, benign and malignant breast tissues by using energy dispersive small angle x-ray scattering.

  1. Method to study sample object size limit of small-angle x-ray scattering computed tomography

    Science.gov (United States)

    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.

  2. Microfocus wide-angle X-ray scattering of polymers crystallized in a fast scanning chip calorimeter

    Energy Technology Data Exchange (ETDEWEB)

    Drongelen, Martin van [Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands); Meijer-Vissers, Tamara [Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands); Dutch Polymer Institute (DPI), P.O. Box 902, 5600 AX Eindhoven (Netherlands); Cavallo, Dario, E-mail: d.cavallo1@tue.nl [Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands); Portale, Giuseppe [ESRF, Dubble CRG, Netherlands Organization of Scientific Research (NWO), 38043 Grenoble (France); Poel, Geert Vanden [DSM Resolve, Urmonderbaan 22, 6167 RD Geleen (Netherlands); Androsch, René, E-mail: rene.androsch@iw.uni-halle.de [Martin-Luther-University Halle-Wittenberg, Center of Engineering Sciences, 06099 Halle/Saale (Germany)

    2013-07-10

    Graphical abstract: - Highlights: • Micro-focused synchrotron radiation was used for WAXS analysis of FSC samples. • FSC polymer crystallization experiments were completed by in situ X-ray structure analysis. • The supercooling-controlled polymorphism of iPP and PA 6 has been confirmed. - Abstract: Microfocus wide-angle X-ray scattering (WAXS) has been applied for analysis of the polymorphism of isotactic polypropylene and polyamide 6 prepared in a fast scanning chip calorimeter (FSC). Samples with a typical mass of few hundred nanograms, and lateral dimension and thickness of about 100 μm and 20 μm, respectively, were exposed to a defined thermal history in the FSC and subsequently analyzed regarding the X-ray structure at ambient temperature using an intense synchrotron microfocused X-ray beam. The relaxed melt of isotactic polypropylene was cooled at rates of 40 K s{sup −1} and 200 K s{sup −1} which allowed formation of α-crystals or mesophase, respectively. Polyamide 6 was isothermally crystallized at 95 °C and 180 °C which led to formation of γ-mesophase and α-crystals, respectively. This study demonstrated, for the first time, that FSC polymer crystallization experiments could be completed and expanded by subsequent in situ structure analysis by X-ray scattering.

  3. Analysis of the Data from Compton X-ray Polarimeters which Measure the Azimuthal and Polar Scattering Angles

    CERN Document Server

    ,

    2011-01-01

    X-ray polarimetry has the potential to make key-contributions to our understanding of galactic compact objects like binary black hole systems and neutron stars, and extragalactic objects like active galactic nuclei, blazars, and neutron stars. Furthermore, several particle astrophysics topics can be addressed including uniquely sensitive tests of Lorentz invariance. In the energy range from 10-20 keV to several MeV, Compton polarimeters achieve the best performance. In this paper we evaluate the benefit that comes from using the azimuthal and polar angles of the Compton scattered photons in the analysis, rather than using the azimuthal scattering angles alone. We study the case of an ideal Compton polarimeter and show that a Maximum Likelihood analysis which uses the two scattering angles lowers the Minimum Detectable Polarization (MDP) by ~20% compared to a standard analysis based on the azimuthal scattering angles alone. The accuracies with which the polarization fraction and the polarization direction can ...

  4. Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering

    Directory of Open Access Journals (Sweden)

    Norbert Kučerka

    2015-09-01

    Full Text Available We review recent developments in the rapidly growing field of membrane biophysics, with a focus on the structural properties of single lipid bilayers determined by different scattering techniques, namely neutron and X-ray scattering. The need for accurate lipid structural properties is emphasized by the sometimes conflicting results found in the literature, even in the case of the most studied lipid bilayers. Increasingly, accurate and detailed structural models require more experimental data, such as those from contrast varied neutron scattering and X-ray scattering experiments that are jointly refined with molecular dynamics simulations. This experimental and computational approach produces robust bilayer structural parameters that enable insights, for example, into the interplay between collective membrane properties and its components (e.g., hydrocarbon chain length and unsaturation, and lipid headgroup composition. From model studies such as these, one is better able to appreciate how a real biological membrane can be tuned by balancing the contributions from the lipid’s different moieties (e.g., acyl chains, headgroups, backbones, etc..

  5. Beyond simple small-angle X-ray scattering: developments in online complementary techniques and sample environments

    Directory of Open Access Journals (Sweden)

    Wim Bras

    2014-11-01

    Full Text Available Small- and wide-angle X-ray scattering (SAXS, WAXS are standard tools in materials research. The simultaneous measurement of SAXS and WAXS data in time-resolved studies has gained popularity due to the complementary information obtained. Furthermore, the combination of these data with non X-ray based techniques, via either simultaneous or independent measurements, has advanced understanding of the driving forces that lead to the structures and morphologies of materials, which in turn give rise to their properties. The simultaneous measurement of different data regimes and types, using either X-rays or neutrons, and the desire to control parameters that initiate and control structural changes have led to greater demands on sample environments. Examples of developments in technique combinations and sample environment design are discussed, together with a brief speculation about promising future developments.

  6. Small angle X-ray scattering and transmission electron microscopy study of the Lactobacillus brevis S-layer protein

    Energy Technology Data Exchange (ETDEWEB)

    Jaeaeskelaeinen, Pentti [Department of Biomedical Engineering and Computational Science, PO Box 2200, FI-02015 Aalto University School of Science and Technology (Finland); Engelhardt, Peter [Haartman Institute, Department of Pathology, PO Box 21, FIN-00014 University of Helsinki (Finland); Hynoenen, Ulla; Palva, Airi [Department of Basic Veterinary Sciences, Division of Microbiology, FIN-00014 University of Helsinki (Finland); Torkkeli, Mika; Serimaa, Ritva, E-mail: ritva.serimaa@helsinki.f [Department of Physics, POB 64, 00014 University of Helsinki (Finland)

    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 A and 435 A.

  7. Small angle X-ray scattering and transmission electron microscopy study of the Lactobacillus brevis S-layer protein

    Science.gov (United States)

    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.

  8. Quantitative Analysis of the Orientation of Mineral in Bone from Small-Angle X-Ray Scattering Patterns

    Science.gov (United States)

    Matsushima, Norio; Akiyama, Morio; Terayama, Yoshio

    1982-01-01

    The small-angle X-ray scattering data from a rabbit femur is quantitatively evaluated with respect to the mineral distribution in bone. The results show the existence of a needle-like mineral with a length of at least 300 A and a preferred orientation of the needle axes parallel to the long axis of the bone. The angular distribution of the needle axes gives a value of 30° for the mean inclination.

  9. Analysis of the aggregation structure from amphiphilic block copolymers in solutions by small-angle x-ray scattering

    CERN Document Server

    Rong Li Xia; Wang Jun; Wei Liu He; Li Fu Mian; Li Zi Chen

    2002-01-01

    The aggregation structure of polystyrene-p vinyl benzoic amphiphilic block copolymers which were prepared in different conditions was investigated by synchrotron radiation small-angle x-ray scattering (SAXS). The micelle was self-assembled in selective solvents of the block copolymers. Authors' results demonstrate that the structure of the micelle depends on the factors, such as the composition of the copolymers, the nature of the solvent and the concentration of the solution

  10. DMSO-Induced Dehydration of DPPC Membranes Studied by X-ray Diffraction, Small-Angle Neutron Scattering, and Calorimetry

    OpenAIRE

    Kiselev, M. A.; Lesieur, P.; Kisselev, A. M.; Grabielle-Madelmond, C.; Ollivon, M.

    2001-01-01

    The influence of dimethyl sulfoxide (DMSO) on membrane thickness, multilamellar repeat distance, and phase transitions of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) was investigated by X-ray diffraction and small-angle neutron scattering (SANS). The differential scanning calorimetry (DSC) study of water freezing and ice melting was performed in the ternary DPPC /DMSO /water and binary DMSO /water systems. The methods applied demonstrated the differences in membrane structure in t...

  11. INVESTIGATION ON THE CONFORMATION OF THE MAIN-CHAIN NEMATIC POLYMER BY SMALL ANGLE X-RAY SCATTERING

    Institute of Scientific and Technical Information of China (English)

    SUN Zhengmin; WANG Huaqin; WANG Xinjiu

    1990-01-01

    The experimental investigation on the conformation of a thermotropic main-chain nematic polymer by small-angle X-ray scattering (SAXS) has been carried out. The average radius of gyration of the polymer has been determined in nematic and isotropic state respectively. The experiment shows that the boundary between domains is not sharp but diffuse, and the diffuse - boundary thickness of the polymer as a function of temperature has been given.

  12. Synthesis of a nanorod ferrofluid and characterisation by magnetic-field-dependent small-angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Doebrich, F. [Universitaet des Saarlandes, Technische Physik, Geb. D2 2, 66041 Saarbruecken (Germany)]. E-mail: f.doebrich@nano.uni-saarland.de; Michels, A. [Universitaet des Saarlandes, Technische Physik, Geb. D2 2, 66041 Saarbruecken (Germany); Birringer, R. [Universitaet des Saarlandes, Technische Physik, Geb. D2 2, 66041 Saarbruecken (Germany)

    2007-09-15

    Compared to conventional ferrofluids, which contain mostly spherical particles, a dispersion of highly anisometric particles such as rods or chains is expected to give rise to an enhancement or modification of well-known ferrofluid properties. This contribution reports on the synthesis of a ferrofluid containing stable chains of iron nanoparticles and on its microstructural characterisation by means of transmission electron microscopy and small-angle X-ray scattering (SAXS). The SAXS measurements develop a pronounced anisotropy of the scattering pattern as a function of an increasing external magnetic field. Evaluation of the radially averaged SAXS curves in terms of basic scattering functions is discussed.

  13. Nano materials Characterization by Small-angle X-ray Scattering Applied on a Multi-purpose X-ray Diffractometer Platform

    International Nuclear Information System (INIS)

    We present the application of the small-angle X-ray scattering (SAXS) technique for the structural characterization of nano materials. This technique has become available in the laboratory on a multipurpose X-ray diffractometer platform and yields information that is complementary to what can be deduced from XRD (or WAXS) data. Among others SAXS is used for the determination of the size distribution, shape, specific surface area, inner structure and aggregation behavior of nanoparticles. It may also be applied to investigate pore size distributions in meso porous materials as well as ordered nano structures. Several application examples dealing with the characterization of photo catalytic nano powders, porous materials, polymer nano composites, colloidal dispersions, surfactants and related samples will be given. Furthermore, the SAXS technique will be compared and contrasted to complementary experimental techniques, such as dynamic light scattering, ultracentrifugation, electron microscopy, BET measurements and mercury intrusion porosimetry. Whereas this presentation focuses on the application examples of the SAXS technique, a more fundamental and practical introduction will be given within the workshop. (author)

  14. High-resolution soft-X-ray beamline ADRESS at Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

    CERN Document Server

    Strocov, V N; Flechsig, U; Schmidt, T; Imhof, A; Chen, Q; Raabe, J; Betemps, R; Zimoch, D; Krempasky, J; Piazzalunga, A; Wang, X; Grioni, M; Patthey, L

    2009-01-01

    We describe the concepts and technical realization of the high-resolution soft-X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for Resonant Inelastic X-ray Scattering (RIXS) and Angle-Resolved Photoelectron Spectroscopy (ARPES). The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0-180 deg rotatable linear polarizations) but also the energy without changing the gap. The beamline optics is based on the well-established scheme of plane grating monochromator (PGM) operating in collimated light. The ultimate resolving power E/dE is above 33000 at 1 keV photon energy. The choice of blazed vs lamellar gratings and optimization of their profile parameters is described. Due to glancing angles on the mirrors as well as optimized groove densities and profiles of the gratings, high photon flux is achieved up to 1.0e13 photons/s/0.01%BW at 1 keV. Ellipsoida...

  15. The atomic scale structure of CXV carbon: wide-angle x-ray scattering and modeling studies

    Science.gov (United States)

    Hawelek, L.; Brodka, A.; Dore, J. C.; Honkimaki, V.; Burian, A.

    2013-11-01

    The disordered structure of commercially available CXV activated carbon produced from finely powdered wood-based carbon has been studied using the wide-angle x-ray scattering technique, molecular dynamics and density functional theory simulations. The x-ray scattering data has been converted to the real space representation in the form of the pair correlation function via the Fourier transform. Geometry optimizations using classical molecular dynamics based on the reactive empirical bond order potential and density functional theory at the B3LYP/6-31g* level have been performed to generate nanoscale models of CXV carbon consistent with the experimental data. The final model of the structure comprises four chain-like and buckled graphitic layers containing a small percentage of four-fold coordinated atoms (sp3 defects) in each layer. The presence of non-hexagonal rings in the atomic arrangement has been also considered.

  16. Small-angle X-ray scattering: a bridge between RNA secondary structures and three-dimensional topological structures

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Xianyang [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., NCI Small Angle X-ray Scattering Core Facility; Stagno, Jason R. [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.; Bhandari, Yuba R. [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.; Zuo, Xiaobing [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Wang, Yun-Xing [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., NCI Small Angle X-ray Scattering Core Facility; National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.

    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.

  17. A Grazing-Incidence Small-Angle X-Ray Scattering View of Vertically Aligned ZnO Nanowires

    Directory of Open Access Journals (Sweden)

    M. Lučić Lavčević

    2013-01-01

    Full Text Available We report a grazing-incidence small-angle X-ray scattering study of ZnO films with vertically aligned and randomly distributed nanowires, grown through a hydrothermal growth process on nanostructured ZnO seeding coatings and deposited by electron beam evaporation on silicon and glass, respectively. The comparison of the scattering patterns of seeding coatings and nanowires showed that the scattering of vertically aligned nanowires exhibited a specific feature: the dominant characteristic of their scattering patterns is the appearance of fine structure effects around the specular peak. These effects were clarified by the combined reflection and scattering phenomena, suggested for the aligned nanowires-substrate system. Furthermore, they enabled the calculation of the average gyration radius of nanowires in horizontal direction. The calculated value was in good agreement with the radii of nanowires estimated by surface electron microscopy. Therefore, the observed feature in the scattering pattern can serve as evidence of the aligned growth of nanowires.

  18. Quaternary structure of alpha-crustacyanin from lobster as seen by small-angle X-ray scattering.

    Science.gov (United States)

    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

  19. Comparative anomalous small-angle X-ray scattering study of hotwire and plasma grown amorphous silicon-germanium alloys

    OpenAIRE

    Goerigk, G.; Williamson, D. L.

    2001-01-01

    The nanostructure of hydrogenated amorphous silicon-germanium alloys, a-Si1-xGex:H, prepared by the hotwire deposition technique (x=0.06-0.79) and by the plasma enhanced chemical vapor deposition technique (x=0 and 0.50) was analyzed by anomalous small-angle x-ray scattering experiments. For all alloys with x >0 the Ge component was found to be inhomogeneously distributed with correlation lengths of about 1 nm. A systematic increase of the separated scattering was found due to the increasing ...

  20. New reactor dedicated to in operando studies of model catalysts by means of surface x-ray diffraction and grazing incidence small angle x-ray scattering

    International Nuclear Information System (INIS)

    A new experimental setup has been developed to enable in situ studies of catalyst surfaces during chemical reactions by means of surface x-ray diffraction (SXRD) and grazing incidence small angle x-ray scattering. The x-ray reactor chamber was designed for both ultrahigh-vacuum (UHV) and reactive gas environments. A laser beam heating of the sample was implemented; the sample temperature reaches 1100 K in UHV and 600 K in the presence of reactive gases. The reactor equipment allows dynamical observations of the surface with various, perfectly mixed gases at controlled partial pressures. It can run in two modes: as a bath reactor in the pressure range of 1-1000 mbars and as a continuous flow cell for pressure lower than 10-3 mbar. The reactor is connected to an UHV preparation chamber also equipped with low energy electron diffraction and Auger spectroscopy. This setup is thus perfectly well suited to extend in situ studies to more complex surfaces, such as epitaxial films or supported nanoparticles. It offers the possibility to follow the chemically induced changes of the morphology, the structure, the composition, and growth processes of the model catalyst surface during exposure to reactive gases. As an example the Pd8Ni92(110) surface structure was followed by SXRD under a few millibars of hydrogen and during butadiene hydrogenation while the reaction was monitored by quadrupole mass spectrometry. This experiment evidenced the great sensitivity of the diffracted intensity to the subtle interaction between the surface atoms and the gas molecules

  1. Anomalous small-angle X-ray scattering of nanoporous two-phase atomistic models for amorphous silicon–germanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chehaidar, A., E-mail: Abdallah.Chehaidar@fss.rnu.tn

    2015-09-15

    The present work deals with a detailed analysis of the anomalous small-angle X-ray scattering in amorphous silicon–germanium alloy using the simulation technique. We envisage the nanoporous two-phase alloy model consisting in a mixture of Ge-rich and Ge-poor domains and voids at the nanoscale. By substituting Ge atoms for Si atoms in nanoporous amorphous silicon network, compositionally heterogeneous alloys are generated with various composition-contrasts between the two phases. After relaxing the as-generated structure, we compute its radial distribution function, and then we deduce by the Fourier transform technique its anomalous X-ray scattering pattern. Using a smoothing procedure, the computed X-ray scattering patterns are corrected for the termination errors due to the finite size of the model, allowing so a rigorous quantitative analysis of the anomalous small-angle scattering. Our simulation shows that, as expected, the anomalous small-angle X-ray scattering technique is a tool of choice for characterizing compositional heterogeneities coexisting with structural inhomogeneities in an amorphous alloy. Furthermore, the sizes of the compositional nanoheterogeneities, as measured by anomalous small-angle X-ray scattering technique, are X-ray energy independent. A quantitative analysis of the separated reduced anomalous small-angle X-ray scattering, as defined in this work, provided a good estimate of their size.

  2. Understanding nucleic acid structural changes by comparing wide-angle x-ray scattering (WAXS) experiments to molecular dynamics simulations

    Science.gov (United States)

    Pabit, Suzette A.; Katz, Andrea M.; Tolokh, Igor S.; Drozdetski, Aleksander; Baker, Nathan; Onufriev, Alexey V.; Pollack, Lois

    2016-05-01

    Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets higher scattering angles and can enhance structural studies of molecules by accessing finer details of solution structures. Although the extension from SAXS to WAXS is easy to implement experimentally, the computational tools required to fully harness the power of WAXS are still under development. Currently, WAXS is employed to study structural changes and ligand binding in proteins; however, the methods are not as fully developed for nucleic acids. Here, we show how WAXS can qualitatively characterize nucleic acid structures as well as the small but significant structural changes driven by the addition of multivalent ions. We show the potential of WAXS to test all-atom molecular dynamics (MD) simulations and to provide insight into understanding how the trivalent ion cobalt(III) hexammine (CoHex) affects the structure of RNA and DNA helices. We find that MD simulations capture the RNA structural change that occurs due to addition of CoHex.

  3. Understanding Nucleic Acid Structural Changes by Comparing Wide-Angle X-ray Scattering (WAXS) Experiments to Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Pabit, Suzette; Katz, Andrea M.; Tolokh, Igor S.; Drozdetski, Aleksander; Baker, Nathan A.; Onufriev, Alexey; Pollack, Lois

    2016-05-24

    Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets higher scattering angles and can enhance structural studies of molecules by accessing finer details of solution structures. Although the extension from SAXS to WAXS is easy to implement experimentally, the computational tools required to fully harness the power of WAXS are still under development. Currently, WAXS is employed to study structural changes and ligand binding in proteins; however the methods are not as fully developed for nucleic acids. Here, we show how WAXS can qualitatively char- acterize nucleic acid structures as well as the small but significant structural changes driven by the addition of multivalent ions. We show the potential of WAXS to test all-atom molecular dynamics (MD) simulations and to provide insight in understanding how the trivalent ion cobalt(III) hexammine (CoHex) affects the structure of RNA and DNA helices. We find that MD simulations capture the RNA structural change that occurs due to addition of CoHex.

  4. Grazing incidence small angle X-ray scattering study of silver nanoparticles in ion-exchanged glasses

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Weidong, E-mail: 57399942@qq.com [College of Materials Science and Engineering, Qiqihar University, Qiqihar 161006 (China); Wu, Zhaojun [Department of Practice Teaching and Equipment Management, Qiqihar University, Qiqihar 161006 (China); Gu, Xiaohua [College of Materials Science and Engineering, Qiqihar University, Qiqihar 161006 (China); Xing, Xueqing; Mo, Guang [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Wu, Zhonghua, E-mail: wuzh@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

    2015-05-15

    The size and distribution of silver nanoparticles in ion-exchanged silicate glass induced by thermal treatments in air at different temperatures were investigated by means of grazing incidence small angle X-ray scattering technique, X-ray diffraction and optical absorption spectra. Silver–sodium ion exchange of soda-lime silicate glasses was done at 350 °C for 240 min, then the samples were treated by thermal annealing in air at different temperatures 400, 500 and 550 °C, respectively, for 1 h. After the annealing treatment above 400 °C for 1 h, smaller Ag nanoparticles occurred, together with bigger ones. Both dissolution of smaller Ag nanoparticles and diffusion of larger ones are discussed in these stages of annealing in this contribution.

  5. High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies.

    Science.gov (United States)

    Strocov, V N; Schmitt, T; Flechsig, U; Schmidt, T; Imhof, A; Chen, Q; Raabe, J; Betemps, R; Zimoch, D; Krempasky, J; Wang, X; Grioni, M; Piazzalunga, A; Patthey, L

    2010-09-01

    The concepts and technical realisation of the high-resolution soft X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for resonant inelastic X-ray scattering (RIXS) and angle-resolved photoelectron spectroscopy (ARPES) are described. The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0-180 degrees rotatable linear polarizations) but also the energy without changing the gap. The beamline optics is based on the well established scheme of plane-grating monochromator operating in collimated light. The ultimate resolving power E/DeltaE is above 33000 at 1 keV photon energy. The choice of blazed versus lamellar gratings and optimization of their profile parameters is described. Owing to glancing angles on the mirrors as well as optimized groove densities and profiles of the gratings, the beamline is capable of delivering high photon flux up to 1 x 10(13) photons s(-1) (0.01% BW)(-1) at 1 keV. Ellipsoidal refocusing optics used for the RIXS endstation demagnifies the vertical spot size down to 4 microm, which allows slitless operation and thus maximal transmission of the high-resolution RIXS spectrometer delivering E/DeltaE > 11000 at 1 keV photon energy. Apart from the beamline optics, an overview of the control system is given, the diagnostics and software tools are described, and strategies used for the optical alignment are discussed. An introduction to the concepts and instrumental realisation of the ARPES and RIXS endstations is given. PMID:20724785

  6. Automated microfluidic sample-preparation platform for high-throughput structural investigation of proteins by small-angle X-ray scattering

    DEFF Research Database (Denmark)

    Lafleur, Josiane P.; Snakenborg, Detlef; Nielsen, Søren Skou;

    2011-01-01

    A new microfluidic sample-preparation system is presented for the structural investigation of proteins using small-angle X-ray scattering (SAXS) at synchrotrons. The system includes hardware and software features for precise fluidic control, sample mixing by diffusion, automated X-ray exposure co...

  7. Helical rearrangement of photoactivated rhodopsin in monomeric and dimeric forms probed by high-angle X-ray scattering

    OpenAIRE

    Imamoto, Yasushi; Kojima, Keiichi; Oka, Toshihiko; Maeda, Ryo; Shichida, Yoshinori

    2015-01-01

    Light-induced helical rearrangement of vertebrate visual rhodopsin was directly monitored by high-angle X-ray scattering (HAXS), ranging from Q (= 4π sin θ/λ) = 0.03 Å-1 to Q = 1.5 Å-1. HAXS of nanodiscs containing a single rhodopsin molecule was performed before and after photoactivation of rhodopsin. The intensity difference curve obtained by HAXS agreed with that calculated from the crystal structure of dark state rhodopsin and metarhodopsin II, indicating that the conformational change of...

  8. Self-assembly of designed coiled coil peptides studied by small-angle X-ray scattering and analytical ultracentrifugation

    DEFF Research Database (Denmark)

    Malik, Leila; Nygaard, Jesper; Christensen, Niels Johan;

    2013-01-01

    α-Helical coiled coil structures, which are noncovalently associated heptad repeat peptide sequences, are ubiquitous in nature. Similar amphipathic repeat sequences have also been found in helix-containing proteins and have played a central role in de novo design of proteins. In addition......, they are promising tools for the construction of nanomaterials. Small-angle X-ray scattering (SAXS) has emerged as a new biophysical technique for elucidation of protein topology. Here, we describe a systematic study of the self-assembly of a small ensemble of coiled coil sequences using SAXS and analytical...

  9. [Prediction of Protein Conformational Mobility and Evaluation of Its Reliability Using Small-Angle X-ray Scattering].

    Science.gov (United States)

    Knyazev, S N; Kalyakin, V Y; Deryabin, I N; Fedorov, B A; Smirnov, A V; Stepanov, E O; Porozov, Yu B

    2015-01-01

    The "coarse-grained" model of protein conformational mobility is presented. We compared the trajectories of conformational motions predicted for five proteins using this model with the motion obtained by the method of the "nearest neighbor", based on small-angle X-ray scattering data. It is shown that for all studied proteins the sequence of conformations calculated on the basis of "coarse-grained" model and on the basis of the "nearest neighbor", coincides well, although there are exceptions. Some separate consideration should be given to each protein to discern the causes of these exceptions. PMID:26841499

  10. Mineral crystal alignment in mineralized fracture callus determined by 3D small-angle X-ray scattering

    Science.gov (United States)

    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.

  11. Mineral crystal alignment in mineralized fracture callus determined by 3D small-angle X-ray scattering

    International Nuclear Information System (INIS)

    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.

  12. Polypod-Shaped DNAs: Small-Angle X-ray Scattering and Immunostimulatory Activity.

    Science.gov (United States)

    Sanada, Yusuke; Shiomi, Tomoki; Okobira, Tadashi; Tan, Mengmeng; Nishikawa, Makiya; Akiba, Isamu; Takakura, Yoshinobu; Sakurai, Kazuo

    2016-04-19

    We explored in detail the relationship between the structure in aqueous solution and immunostimulatory activity of polypod-shaped DNAs, called polypodnas. The polypodnas were constructed using 3-6 oligodeoxynucleotides (ODNs) to obtain tri-, tetra-, penta-, and hexapodna, each of which had 3, 4, 5, and 6 arms made of double-stranded DNA, respectively. A highly potent immunostimulatory CpG sequence was included into each of the polypodnas. Synchrotron X-ray scattering analysis showed that the double-stranded DNA arms of all of the polypodnas adopted a B-form DNA conformation. The analysis also suggested that some nucleotides in the central parts of pentapodna and hexapodna did not form base pairs, whereas those of tripodna and tetrapodna all formed base pairs. This difference would occur because of an increase in steric hindrance and electrical repulsion with increasing number of arms. The pentapodna and hexapodna induced a large amount of tumor necrosis factor α-release from macrophage-like cells compared with the tripodna and tetrapodna, suggesting that the partly loosened DNA in polypodna with many arms is advantageous for exposing the immunostimulatory sequences of the polypodna. PMID:27007061

  13. Watching Nanoparticles Form: An In Situ (Small-/Wide-Angle X-ray Scattering/Total Scattering) Study of the Growth of Yttria-Stabilised Zirconia in Supercritical Fluids

    DEFF Research Database (Denmark)

    Tyrsted, Christoffer; Pauw, Brian; Jensen, Kirsten Marie Ørnsbjerg;

    2012-01-01

    Understanding nanoparticle formation reactions requires multitechnique in situ characterisation, since no single characterisation technique provides adequate information. Here, the first combined small-angle X-ray scattering (SAXS)/wide-angle X-ray scattering (WAXS)/total-scattering study...

  14. Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Hung T. [BioMaPS Institute for Quantitative Biology, Rutgers University, Piscataway, New Jersey 08854 (United States); Pabit, Suzette A.; Meisburger, Steve P.; Pollack, Lois [School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853 (United States); Case, David A., E-mail: case@biomaps.rutgers.edu [BioMaPS Institute for Quantitative Biology, Rutgers University, Piscataway, New Jersey 08854 (United States); Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854 (United States)

    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.

  15. Distribution of Sulfur in Carbon/Sulfur Nanocomposites Analyzed by Small-Angle X-ray Scattering.

    Science.gov (United States)

    Petzold, Albrecht; Juhl, Anika; Scholz, Jonas; Ufer, Boris; Goerigk, Günter; Fröba, Michael; Ballauff, Matthias; Mascotto, Simone

    2016-03-22

    The analysis of sulfur distribution in porous carbon/sulfur nanocomposites using small-angle X-ray scattering (SAXS) is presented. Ordered porous CMK-8 carbon was used as the host matrix and gradually filled with sulfur (20-50 wt %) via melt impregnation. Owing to the almost complete match between the electron densities of carbon and sulfur, the porous nanocomposites present in essence a two-phase system and the filling of the host material can be precisely followed by this method. The absolute scattering intensities normalized per unit of mass were corrected accounting for the scattering contribution of the turbostratic microstructure of carbon and amorphous sulfur. The analysis using the Porod parameter and the chord-length distribution (CLD) approach determined the specific surface areas and filling mechanism of the nanocomposite materials, respectively. Thus, SAXS provides comprehensive characterization of the sulfur distribution in porous carbon and valuable information for a deeper understanding of cathode materials of lithium-sulfur batteries.

  16. Guinier peak analysis for visual and automated inspection of small-angle X-ray scattering data

    Science.gov (United States)

    Putnam, Christopher D.

    2016-01-01

    The Guinier region in small-angle X-ray scattering (SAXS) defines the radius of gyration, R g, and the forward scattering intensity, I(0). In Guinier peak analysis (GPA), the plot of qI(q) versus q 2 transforms the Guinier region into a characteristic peak for visual and automated inspection of data. Deviations of the peak position from the theoretical position in dimensionless GPA plots can suggest parameter errors, problematic low-resolution data, some kinds of intermolecular interactions or elongated scatters. To facilitate automated analysis by GPA, the elongation ratio (ER), which is the ratio of the areas in the pair-distribution function P(r) after and before the P(r) maximum, was characterized; symmetric samples have ER values around 1, and samples with ER values greater than 5 tend to be outliers in GPA analysis. Use of GPA+ER can be a helpful addition to SAXS data analysis pipelines.

  17. Turbulent pitch-angle scattering and diffusive transport of hard-X-ray producing electrons in flaring coronal loops

    CERN Document Server

    Kontar, E P; Emslie, A G; Vilmer, N

    2013-01-01

    Recent observations from {\\em RHESSI} have revealed that the number of non-thermal electrons in the coronal part of a flaring loop can exceed the number of electrons required to explain the hard X-ray-emitting footpoints of the same flaring loop. Such sources cannot, therefore, be interpreted on the basis of the standard collisional transport model, in which electrons stream along the loop while losing their energy through collisions with the ambient plasma; additional physical processes, to either trap or scatter the energetic electrons, are required. Motivated by this and other observations that suggest that high energy electrons are confined to the coronal region of the source, we consider turbulent pitch angle scattering of fast electrons off low frequency magnetic fluctuations as a confinement mechanism, modeled as a spatial diffusion parallel to the mean magnetic field. In general, turbulent scattering leads to a reduction of the collisional stopping distance of non-thermal electrons along the loop and ...

  18. Structure and kinetics of chemically cross-linked protein gels from small-angle X-ray scattering

    CERN Document Server

    Kaieda, Shuji; Halle, Bertil

    2014-01-01

    Glutaraldehyde (GA) reacts with amino groups in proteins, forming intermolecular cross-links that, at sufficiently high protein concentration, can transform a protein solution into a gel. Although GA has been used as a cross-linking reagent for decades, neither the cross-linking chemistry nor the microstructure of the resulting protein gel have been clearly established. Here we use small-angle X-ray scattering (SAXS) to characterise the microstructure and structural kinetics of gels formed by cross-linking of pancreatic trypsin inhibitor, myoglobin or intestinal fatty acid-binding protein. By comparing the scattering from gels and dilute solutions, we extract the structure factor and the pair correlation function of the gel. The protein gels are spatially heterogeneous, with dense clusters linked by sparse networks. Within the clusters, adjacent protein molecules are almost in contact, but the protein concentration in the cluster is much lower than in a crystal. At the $\\sim$ 1 nm SAXS resolution, the native ...

  19. Size Determination of a Liposomal Drug by Small-Angle X-ray Scattering Using Continuous Contrast Variation.

    Science.gov (United States)

    Garcia-Diez, Raul; Gollwitzer, Christian; Krumrey, Michael; Varga, Zoltan

    2016-01-26

    The continuously growing complexity of nanodrugs urges for complementary characterization techniques which can elude the current limitations. In this paper, the applicability of continuous contrast variation in small-angle X-ray scattering (SAXS) for the accurate size determination of a complex nanocarrier is demonstrated on the example of PEGylated liposomal doxorubicin (Caelyx). The mean size and average electron density of Caelyx was determined by SAXS using a gradient of aqueous iodixanol (Optiprep), an iso-osmolar suspending medium. The study is focused on the isoscattering point position and the analysis of the Guinier region of the scattering curves recorded at different solvent densities. An average diameter of (69 ± 5) nm and electron density of (346.2 ± 1.2) nm(-3) were determined for the liposomal formulation of doxorubicin. The response of the liposomal nanocarrier to increasing solvent osmolality and the structure of the liposome-encapsulated doxorubicin after the osmotic shrinkage of the liposome are evaluated with sucrose contrast variation in SAXS and wide-angle X-ray scattering (WAXS). In the case of using sucrose as contrast agent, a clear osmolality threshold at 670 mOsm kg(-1) was observed, above which the liposomal drug carriers start to shrink, though preserving the intraliposomal doxorubicin structure. The average size obtained by this technique is smaller than the value measured by dynamic light scattering (DLS), though this difference is expected due to the hydrodynamic size of the PEG moieties attached to the liposomal surface, which are not probed with solvent contrast variation in SAXS. The advantages and drawbacks of the proposed technique are discussed in comparison to DLS, the most frequently used sizing method in nanomedicine. PMID:26673729

  20. The distribution of Sr2+ counterions around polyacrylate chains analyzed by anomalous small-angle X-ray scattering

    Science.gov (United States)

    Goerigk, G.; Schweins, R.; Huber, K.; Ballauff, M.

    2004-05-01

    The distribution of Sr counterions around negatively charged sodium polyacrylate chains (NaPA) in aqueous solution was studied by anomalous small-angle X-ray scattering. Different ratios of the concentrations of SrCl2/[NaPA] reveal dramatic changes in the scattering curves. At the lower ratio the scattering curves indicate a coil-like behavior, while at the higher ratio the scattering curves are contracted to smaller q-values, caused by the collapse of the NaPA coil. The form factor of the scattering contribution of the counterions was separated and analyzed. For the scattering curves of the collapsed chains, this analysis agrees with the model of a pearl necklace, consisting of collapsed sphere-like subdomains which are connected by stretched chain segments. An averaged radius of the pearls of 19 nm and a distance between neighbouring pearls close to 60 nm could be established for the collapsed state of the NaPA chains.

  1. Small-angle and wide-angle X-ray scattering study on the bilayer structure of synthetic and bovine heart cardiolipins

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Hiroshi [Biophysics Laboratory, Department of Chemistry and Chemical Biology, Gunma University, Maebashi, Gunma, 371-8510 (Japan); Hayakawa, Tomohiro [Life Science Laboratory, Advanced Materials Laboratories, Sony Corporation, Yushima, Bunkyo-ku, Tokyo, 113-8510 (Japan); Ito, Kazuki; Takata, Masaki [Structural Materials Science Laboratory, RIKEN SPring-8 Center, Sayo, Hyogo 679-5148 (Japan); Kobayashi, Toshihide, E-mail: htakahas@chem-bio.gunma-u.ac.j [Lipid Biology Laboratory, RIKEN, Wako, Saitama 351-0198 (Japan)

    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.

  2. Small-angle and wide-angle X-ray scattering study on the bilayer structure of synthetic and bovine heart cardiolipins

    International Nuclear Information System (INIS)

    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.

  3. Turbulent Pitch-angle Scattering and Diffusive Transport of Hard X-Ray-producing Electrons in Flaring Coronal Loops

    Science.gov (United States)

    Kontar, Eduard P.; Bian, Nicolas H.; Emslie, A. Gordon; Vilmer, Nicole

    2014-01-01

    Recent observations from RHESSI have revealed that the number of non-thermal electrons in the coronal part of a flaring loop can exceed the number of electrons required to explain the hard X-ray-emitting footpoints of the same flaring loop. Such sources cannot, therefore, be interpreted on the basis of the standard collisional transport model, in which electrons stream along the loop while losing their energy through collisions with the ambient plasma; additional physical processes, to either trap or scatter the energetic electrons, are required. Motivated by this and other observations that suggest that high-energy electrons are confined to the coronal region of the source, we consider turbulent pitch-angle scattering of fast electrons off low-frequency magnetic fluctuations as a confinement mechanism, modeled as a spatial diffusion parallel to the mean magnetic field. In general, turbulent scattering leads to a reduction of the collisional stopping distance of non-thermal electrons along the loop, and hence to an enhancement of the coronal hard X-ray source relative to the footpoints. The variation of source size L with electron energy E becomes weaker than the quadratic behavior pertinent to collisional transport, with the slope of L(E) depending directly on the mean free path λ associated with the non-collisional scattering mechanism. Comparing the predictions of the model with observations, we find that λ ~ (108-109) cm for ~30 keV, less than the length of a typical flaring loop and smaller than, or comparable to, the size of the electron acceleration region.

  4. Turbulent pitch-angle scattering and diffusive transport of hard X-ray-producing electrons in flaring coronal loops

    Energy Technology Data Exchange (ETDEWEB)

    Kontar, Eduard P.; Bian, Nicolas H. [School of Physics and Astronomy, The University of Glasgow, G12 8QQ (United Kingdom); Emslie, A. Gordon [Department of Physics and Astronomy, Western Kentucky University, Bowling Green, KY 42101 (United States); Vilmer, Nicole, E-mail: eduard@astro.gla.ac.uk, E-mail: emslieg@wku.edu [LESIA Observatoire de Paris, CNRS, UPMC, Universite Paris Diderot, 5 place Jules Janssen, 92195 Meudon Cedex (France)

    2014-01-10

    Recent observations from RHESSI have revealed that the number of non-thermal electrons in the coronal part of a flaring loop can exceed the number of electrons required to explain the hard X-ray-emitting footpoints of the same flaring loop. Such sources cannot, therefore, be interpreted on the basis of the standard collisional transport model, in which electrons stream along the loop while losing their energy through collisions with the ambient plasma; additional physical processes, to either trap or scatter the energetic electrons, are required. Motivated by this and other observations that suggest that high-energy electrons are confined to the coronal region of the source, we consider turbulent pitch-angle scattering of fast electrons off low-frequency magnetic fluctuations as a confinement mechanism, modeled as a spatial diffusion parallel to the mean magnetic field. In general, turbulent scattering leads to a reduction of the collisional stopping distance of non-thermal electrons along the loop, and hence to an enhancement of the coronal hard X-ray source relative to the footpoints. The variation of source size L with electron energy E becomes weaker than the quadratic behavior pertinent to collisional transport, with the slope of L(E) depending directly on the mean free path λ associated with the non-collisional scattering mechanism. Comparing the predictions of the model with observations, we find that λ ∼ (10{sup 8}-10{sup 9}) cm for ∼30 keV, less than the length of a typical flaring loop and smaller than, or comparable to, the size of the electron acceleration region.

  5. Water adsorption and small angle X-ray scattering studies on the effect of coal thermal treatment

    Energy Technology Data Exchange (ETDEWEB)

    Mitropoulos, A.C.; Haynes, J.M.; Richardson, R.M.; Steriotis, T.A.; Stubos, A.K.; Kanellopoulos, N.K. [University of Bristol, Bristol (United Kingdom). School of Chemistry

    1996-09-01

    The paper studies the interaction of water with two bituminous coal samples which have suffered structural alterations after thermal treatment at a relatively high temperature {approx_equal} (340{degree}C). Weight loss, adsorption, and small angle X-ray scattering (SAXS) experiments where carried out. The results suggest that the mesopore structure in both samples undergoes a partial collapse. A strong hydrophobic effect, at the very early stages of the adsorption process, is noted for only one of them. This observation is attributed to differences in the rigidity of each of the structures. Analysis of the spectra in terms of fractal geometry is also performed. It is proposed that thermal treatment changes the coal matrices from a dilute to a dense configuration. Heating causes a breakage of some oxygen and sulphur bridges giving rise to these structural alterations. 29 refs., 4 figs., 1 tab.

  6. Structure of Carbon Nanotube Porins in Lipid Bilayers: An in Situ Small-Angle X-ray Scattering (SAXS) Study.

    Science.gov (United States)

    Tran, Ich C; Tunuguntla, Ramya H; Kim, Kyunghoon; Lee, Jonathan R I; Willey, Trevor M; Weiss, Thomas M; Noy, Aleksandr; van Buuren, Tony

    2016-07-13

    Carbon nanotube porins (CNTPs), small segments of carbon nanotubes capable of forming defined pores in lipid membranes, are important future components for bionanoelectronic devices as they could provide a robust analog of biological membrane channels. In order to control the incorporation of these CNT channels into lipid bilayers, it is important to understand the structure of the CNTPs before and after insertion into the lipid bilayer as well as the impact of such insertion on the bilayer structure. Here we employed a noninvasive in situ probe, small-angle X-ray scattering, to study the integration of CNT porins into dioleoylphosphatidylcholine bilayers. Our results show that CNTPs in solution are stabilized by a monolayer of lipid molecules wrapped around their outer surface. We also demonstrate that insertion of CNTPs into the lipid bilayer results in decreased bilayer thickness with the magnitude of this effect increasing with the concentration of CNTPs. PMID:27322135

  7. X-ray magnetic circular dichroism and small angle neutron scattering study of thiol capped gold nanoparticles.

    Energy Technology Data Exchange (ETDEWEB)

    de la Venta, J.; Bouzas, V.; Pucci, A.; Laguna-Marco, M. A.; Haskel, D.; Pinel, E. F.; te Velthuis, S. G. E.; Hoffmann, A.; Lal, J.; Bleuel, M.; Ruggeri, G.; de Julian, C.; Garcia, M. A.; Univ. Complutense de Madrid; Inst. de Magnetismo Aplicado UCM; Univ. Pisa; Univ. di Padova

    2009-11-01

    X-ray magnetic circular dichroism (XMCD) and Small Angle Neutron Scattering (SANS) measurements were performed on thiol capped Au nanoparticles (NPs) embedded into polyethylene. An XMCD signal of 0.8 {center_dot} 10{sup -4} was found at the Au L{sub 3} edge of thiol capped Au NPs embedded in a polyethylene matrix for which Superconducting Quantum Interference Device (SQUID) magnetometry yielded a saturation magnetization, M{sub s}, of 0.06 emu/g{sub Au}. SANS measurements showed that the 3.2 nm average-diameter nanoparticles are 28% polydispersed, but no detectable SANS magnetic signal was found with the resolution and sensitivity accessible with the neutron experiment. A comparison with previous experiments carried out on Au NPs and multilayers, yield to different values between XMCD signals and magnetization measured by SQUID magnetometer. We discuss the origin of those differences.

  8. X-ray magnetic circular dichroism and small angle neutron scattering studies of thiol capped gold nanoparticles.

    Energy Technology Data Exchange (ETDEWEB)

    de la Venta, J.; Bouzas, V.; Pucci, A.; Laguna-Marco, M. A.; Haskel, D.; te Velthuis, S. G. E; Hoffmann, A.; Lal, J.; Bleuel, M.; Ruggeri, G.; de Julian Fernandez, C.; Garcia, M. A.; Univ.Complutense de Madrid; Inst. de Magnetismo Aplicado; Univ. of Pisa; Lab. di Magnetismo Molecolare

    2009-01-01

    X-ray magnetic circular dichroism (XMCD) and Small Angle Neutron Scattering (SANS) measurements were performed on thiol capped Au nanoparticles (NPs) embedded into polyethylene. An XMCD signal of 0.8 {center_dot} 10{sup -4} was found at the Au L{sub 3} edge of thiol capped Au NPs embedded in a polyethylene matrix for which Superconducting Quantum Interference Device (SQUID) magnetometry yielded a saturation magnetization, M{sub s}, of 0.06 emu/g{sub Au}. SANS measurements showed that the 3.2 nm average-diameter nanoparticles are 28% polydispersed, but no detectable SANS magnetic signal was found with the resolution and sensitivity accessible with the neutron experiment. A comparison with previous experiments carried out on Au NPs and multilayers, yield to different values between XMCD signals and magnetization measured by SQUID magnetometer. We discuss the origin of those differences.

  9. Characterization of the nanopore structures of PAN-based carbon fiber precursors by small angle X-ray scattering

    Institute of Scientific and Technical Information of China (English)

    WANG De-Hong; HAO Jun-Jie; XING Xue-Qing; MO Guang; GONG Yu; L(U) Chun-Xiang; WU Zhong-Hua

    2011-01-01

    The nanopore structures in precursors are crucial to the performance of PAN-based carbon fibers.hot-stretching filaments(C)and drying-densification filaments(D).Synchrotron radiation small angle X-ray scattering is used to probe and compare the nanopore structures of the four fibers.The nanopore size,discrete volume distribution,nanopore orientation degree along the fiber axis and the porosity are obtained.The results demonstrate that the nanopores are mainly formed in the water-washing stage.During the processes of the subsequent production technologies,the slenderness ratio of nanopores and their orientation degree along the fiber axis increase further and simultaneously,the porosity decreases.These results are helpful for improving the performance of the final carbon fibers.

  10. Ultra-small angle neutron scattering and X-ray tomography studies of caseinate-hydroxyapatite microporous materials

    Energy Technology Data Exchange (ETDEWEB)

    Ritzoulis, C., E-mail: critzou@food.teithe.gr [ATEI of Thessaloniki, PO Box 141, 57400 Thessaloniki (Greece); Strobl, M. [Ruprecht-Karls-University Heidelberg, Physikalisch-Chemisches Institut, Im Neuenheimer Feld 229, 69120 Heidelberg (Germany); Helmholtz Centre Berlin for Materials and Energy (former Hahn-Meitner Institute), SF1, Glienicker Str. 100, 14109 Berlin (Germany); Panayiotou, C. [Aristotle University of Thessaloniki, University Campus (Greece); Choinka, G. [Helmholtz Centre Berlin for Materials and Energy (former Hahn-Meitner Institute), SF1, Glienicker Str. 100, 14109 Berlin (Germany); Tsioptsias, C. [Aristotle University of Thessaloniki, University Campus (Greece); Vasiliadou, C. [KEPAMAH, 22nd April 1, 63100 Polygyros, Chalkidiki (Greece); Vasilakos, V. [University of Crete, Department of Biology, 71409 Heraklion, Crete (Greece); Beckmann, F.; Herzen, J.; Donath, T. [Institute for Materials Research, GKSS-Research Center, 21502 Geesthacht (Germany)

    2010-09-01

    Microporous hydroxyapatite-protein composite materials of bimodal pore size distribution, intended for utilization as bone regeneration scaffolds, have been prepared by means of milk caseinate emulsion droplet templating. Ultra-small angle neutron scattering (USANS) has been utilized in order to obtain information on the size distribution of the smaller pores (less than tens of micrometers), as compared to the emulsions that have been initially used as templates. The samples were subsequently visualized in 3 dimensions using synchrotron radiation X-ray tomography, where information concerning the larger pores has been obtained. The examination of the samples confirmed a strong correlation between the size of the templating droplets and the produced pores. In addition, 1 {mu}m-sized pores appear to adhere to the surface of 20-70 {mu}m pores, providing an irregular surface on the large pore walls, a desirable feature in bone-mimicking materials.

  11. Small-angle X-ray scattering study on pectin-chitosan mixed solutions and thermoreversible gels.

    Science.gov (United States)

    Ventura, Irit; Bianco-Peled, Havazelet

    2015-06-01

    Hot solutions containing pectin and chitosan with pectin weight fraction of 0.75, in acidic pH, demonstrate gelation occurring upon cooling to room temperature. This study explores the origin of this gelation using small angle X-ray scattering (SAXS) as the main experimental tool. Modeling SAXS patterns revealed rigid rod conformation in chitosan solutions, whereas pectin formed a self-avoiding chain. In addition, nanometric aggregates were detected in pectin solutions. Pectin and chitosan in mixed solutions adopted a similar semiflexible conformation. The only sample that created a visually stable gel displayed a different pattern, characteristic to polymers gels. Manipulating the composition by adding urea and salts highlighted the important role of hydrogen bonding, which governs the gelation mechanism. Nevertheless, electrostatic interactions were also found to take part in the gelation. To the best of our knowledge, this is the first comprehensive and systematic SAXS study on these pectin-chitosan mixtures.

  12. Small-Angle X-ray Scattering Demonstrates Similar Nanostructure in Cortical Bone from Young Adult Animals of Different Species.

    Science.gov (United States)

    Kaspersen, Jørn Døvling; Turunen, Mikael Juhani; Mathavan, Neashan; Lages, Sebastian; Pedersen, Jan Skov; Olsson, Ulf; Isaksson, Hanna

    2016-07-01

    Despite the vast amount of studies focusing on bone nanostructure that have been performed for several decades, doubts regarding the detailed structure of the constituting hydroxyapatite crystal still exist. Different experimental techniques report somewhat different sizes and locations, possibly due to different requirements for the sample preparation. In this study, small- and wide-angle X-ray scattering is used to investigate the nanostructure of femur samples from young adult ovine, bovine, porcine, and murine cortical bone, including three different orthogonal directions relative to the long axis of the bone. The radially averaged scattering from all samples reveals a remarkable similarity in the entire q range, which indicates that the nanostructure is essentially the same in all species. Small differences in the data from different directions confirm that the crystals are elongated in the [001] direction and that this direction is parallel to the long axis of the bone. A model consisting of thin plates is successfully employed to describe the scattering and extract the plate thicknesses, which are found to be in the range of 20-40 Å for most samples but 40-60 Å for the cow samples. It is demonstrated that the mineral plates have a large degree of polydispersity in plate thickness. Additionally, and equally importantly, the scattering data and the model are critically evaluated in terms of model uncertainties and overall information content. PMID:26914607

  13. Small-angle scattering computed tomography (SAS-CT) using a Talbot-Lau interferometerand a rotating anode x-ray tube:theory and experiments.

    Science.gov (United States)

    Chen, Guang-Hong; Bevins, Nicholas; Zambelli, Joseph; Qi, Zhihua

    2010-06-01

    X-ray differential phase contrast imaging methods, including projection imaging and the corresponding computed tomography (CT), have been implemented using a Talbot interferometer and either a synchrotron beam line or a low brilliance x-ray source generated by a stationary-anode x-ray tube. From small-angle scattering events which occur as an x-ray propagates through a medium, a signal intensity loss can be recorded and analyzed for an understanding of the micro-structures in an image object. This has been demonstrated using a Talbot-Lau interferometer and a stationary-anode x-ray tube. In this paper, theoretical principles and an experimental implementation of the corresponding CT imaging method are presented. First, a line integral is derived from analyzing the cross section of the small-angle scattering events. This method is referred to as small-angle scattering computed tomography (SAS-CT). Next, a Talbot-Lau interferometer and a rotating-anode x-ray tube were used to implement SAS-CT. A physical phantom and human breast tissue sample were used to demonstrate the reconstructed SAS-CT image volumes.

  14. Larger scale structures in starch granules chartacterised via small-angle neutron and x-ray scattering

    International Nuclear Information System (INIS)

    Starch is the primary carbohydrate component in the human diet and the major storage polysaccharide in plants. Small angle scattering (SAS) techniques have an extensive track record in illuminating the semi-crystalline lamellar structure of the starch granule, however, there have been few attempts to use SAS techniques to characterise larger-scale structures reported from imaging techniques, such as growth rings, blocklets or pores. In this study, SAS data collected over an extended q range were gathered from dry and hydrated starch powders of various botanical origins. The use of neutrons and x-rays, as well as comparing dry and hydrated granules, allowed different levels of contrast in scattering length density to be probed and therefore selected structural regions to be highlighted. SAXS measurements were obtained with the Bruker Nanostar, whilst SANS measurements taken at the QUOKKA instrument, ANSTO. Data were analysed with the 'unified' method, which fits SAS curves from hierarchical structures, with each level consisting of a Guinier and Porod component which can be refined during fitting. The lowest q range, 0.002 - 0.04 Å-1, was found to be dominated by scattering from the starch granules themselves, especially in the dry powders; however an inflection point from a low contrast structure was observed at 0.035 Å-1. The associated scattering was interpreted within a unified scattering framework with the inflexion point correlating with a structure with radius of gyration -90 Å - a size comparable to small blocklets or superhelices. In hydrated starches, it is observed that there is an inflection point between lamellar and q-4 power-law scattering regions at approximately 0.004 Å-1 which may correlate with growth rings and large blocklets. The implications of these findings on existing models of starch lamellar scattering are discussed.

  15. The microfocus small-angle X-ray scattering at SSRF BL16B1

    CERN Document Server

    Hua, Wenqiang; Zhou, Ping; Li, Xiuhong; Bian, Fenggang; Wang, Jie

    2016-01-01

    Offering high-brilliance X-ray beams on micrometer length scales, the microfocus SAXS at SSRF BL16B1 was established with a KB mirror system for studying small sample volumes, or probing micro-scopic morphologies. The SAXS minimum q value was 0.1nm^-1 with a flux of 1.5 x 10^10photons/s. Two position-resolved scanning experimental methods was combined with microfocus SAXS that include STXM and CT. The experimental results of a standard sample was presented to illustrate the performance of the microfocus SAXS method. Because of the significant smearing effect in the horizontal direction, an effective and easy-to-use desmearing procedure for two-dimensional SAXS pattern based on the blind deconvolution was developed and the deblurring results demonstrated the good restoration effect for the defocus image.

  16. Small Angle X-ray and Neutron Scattering: Powerful Tools for Studying the Structure of Drug-Loaded Liposomes

    Science.gov (United States)

    Di Cola, Emanuela; Grillo, Isabelle; Ristori, Sandra

    2016-01-01

    Nanovectors, such as liposomes, micelles and lipid nanoparticles, are recognized as efficient platforms for delivering therapeutic agents, especially those with low solubility in water. Besides being safe and non-toxic, drug carriers with improved performance should meet the requirements of (i) appropriate size and shape and (ii) cargo upload/release with unmodified properties. Structural issues are of primary importance to control the mechanism of action of loaded vectors. Overall properties, such as mean diameter and surface charge, can be obtained using bench instruments (Dynamic Light Scattering and Zeta potential). However, techniques with higher space and time resolution are needed for in-depth structural characterization. Small-angle X-ray (SAXS) and neutron (SANS) scattering techniques provide information at the nanoscale and have therefore been largely used to investigate nanovectors loaded with drugs or other biologically relevant molecules. Here we revise recent applications of these complementary scattering techniques in the field of drug delivery in pharmaceutics and medicine with a focus to liposomal carriers. In particular, we highlight those aspects that can be more commonly accessed by the interested users. PMID:27043614

  17. ``Ordered'' structure in dilute solutions of sodium polystyrenesulfonates as studied by small-angle x-ray scattering

    Science.gov (United States)

    Ise, Norio; Okubo, Tsuneo; Kunugi, Shigeru; Matsuoka, Hideki; Yamamoto, K.; Ishii, Yasuo

    1984-10-01

    The small angle x-ray scattering measurements were performed for aqueous solutions of sodium polystyrenesulfonates having relatively narrow molecular weight distributions. As was observed for other synthetic macroions, polynucleotide and proteins, a single, broad peak was observed. The scattering vector at the peak position (Sm) was shifted toward larger values with increasing polymer concentration and toward lower values with increasing salt concentration, which confirmed earlier observations with polyacrylate and poly-L-lysine. The molecular weight dependence of the scattering behavior, which was earlier observed, was confirmed to be true for samples with Mw of 74 000, 18 000, and 4600. The mixture of two fractions with different Mw's gave a scattering curve which was again different from the composite curve obtained with the parent curves before mixing. A similar situation was observed for the mixture of polystyrenesulfonate and polyacrylate. Thus, it was concluded that the observed single peak indicates the presence of an intermolecular ordering, not an intramolecular ordering. The intermacroion distance (2Dexp) was thus calculated by using the Bragg equation. 2Dexp decreased with increasing polymer concentration and increased (not decreased) with increasing concentration of added salt and Mw. The 2Dexp values thus obtained were smaller beyond the experimental error than 2D0, a theoretical distance calculated from the concentration by assuming the uniform distribution of the macroions throughout the solution and the 2D0/2Dexp value amounted to 3.5 for high molecular weight samples. This fact indicates the presence of an intermacroion attractive interaction. When two fractions with different Mw's were compared at a given number concentration of macroions, the 2Dexp value for the sample of a larger Mw was smaller than that for the fraction of a smaller Mw. This implies that the attraction must be intensified, though unexpectedly, with increasing valency of the

  18. Measurement of carbon condensates using small-angle x-ray scattering during detonation of the high explosive hexanitrostilbene

    Energy Technology Data Exchange (ETDEWEB)

    Bagge-Hansen, M.; Lauderbach, L.; Hodgin, R.; Bastea, S.; Fried, L.; Jones, A.; Buuren, T. van; Hansen, D.; Benterou, J.; May, C.; Willey, T. M., E-mail: willey1@llnl.gov [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Graber, T. [Washington State University, Pullman, Washington 99164 (United States); Jensen, B. J. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Ilavsky, J. [Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2015-06-28

    The dynamics of carbon condensation in detonating high explosives remains controversial. Detonation model validation requires data for processes occurring at nanometer length scales on time scales ranging from nanoseconds to microseconds. A new detonation endstation has been commissioned to acquire and provide time-resolved small-angle x-ray scattering (SAXS) from detonating explosives. Hexanitrostilbene (HNS) was selected as the first to investigate due to its ease of initiation using exploding foils and flyers, vacuum compatibility, high thermal stability, and stoichiometric carbon abundance that produces high carbon condensate yields. The SAXS data during detonation, collected with 300 ns time resolution, provide unprecedented signal fidelity over a broad q-range. This fidelity permits the first analysis of both the Guinier and Porod/power-law regions of the scattering profile during detonation, which contains information about the size and morphology of the resultant carbon condensate nanoparticles. To bolster confidence in these data, the scattering angle and intensity were additionally cross-referenced with a separate, highly calibrated SAXS beamline. The data show that HNS produces carbon particles with a radius of gyration of 2.7 nm in less than 400 ns after the detonation front has passed, and this size and morphology are constant over the next several microseconds. These data directly contradict previous pioneering work on RDX/TNT mixtures and TATB, where observations indicate significant particle growth (50% or more) continues over several microseconds. The power-law slope is about −3, which is consistent with a complex disordered, irregular, or folded sp{sup 2} sub-arrangement within a relatively monodisperse structure possessing radius of gyration of 2.7 nm after the detonation of HNS.

  19. Measurement of carbon condensation using small-angle x-ray scattering during detonation of the high explosive hexanitrostilbene

    Energy Technology Data Exchange (ETDEWEB)

    Bagge-Hansen, M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lauderbach, L. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hodgin, R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bastea, S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Fried, L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Jones, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); van Buuren, T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hansen, D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Benterou, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); May, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Graber, T. [Washington State Univ., Pullman, WA (United States); Jensen, B. J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ilavsky, J. [Argonne National Lab. (ANL), Argonne, IL (United States); Willey, T. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-06-24

    The dynamics of carboncondensation in detonating high explosives remains controversial. Detonation model validation requires data for processes occurring at nanometer length scales on time scales ranging from nanoseconds to microseconds. A new detonation endstation has been commissioned to acquire and provide time-resolved small-angle x-ray scattering (SAXS) from detonating explosives. Hexanitrostilbene (HNS) was selected as the first to investigate due to its ease of initiation using exploding foils and flyers, vacuum compatibility, high thermal stability, and stoichiometric carbon abundance that produces high carbon condensate yields. The SAXS data during detonation, collected with 300 ns time resolution, provide unprecedented signal fidelity over a broad q-range. This fidelity permits the first analysis of both the Guinier and Porod/power-law regions of the scattering profile during detonation, which contains information about the size and morphology of the resultant carbon condensate nanoparticles. To bolster confidence in these data, the scattering angle and intensity were additionally cross-referenced with a separate, highly calibrated SAXS beamline. The data show that HNS produces carbon particles with a radius of gyration of 2.7 nm in less than 400 ns after the detonation front has passed, and this size and morphology are constant over the next several microseconds. These data directly contradict previous pioneering work on RDX/TNT mixtures and TATB, where observations indicate significant particle growth (50% or more) continues over several microseconds. As a result, the power-law slope is about –3, which is consistent with a complex disordered, irregular, or folded sp2 sub-arrangement within a relatively monodisperse structure possessing radius of gyration of 2.7 nm after the detonation of HNS.

  20. Temperature Assisted in-Situ Small Angle X-ray Scattering Analysis of Ph-POSS/PC Polymer Nanocomposite

    Science.gov (United States)

    Yadav, Ramdayal; Naebe, Minoo; Wang, Xungai; Kandasubramanian, Balasubramanian

    2016-07-01

    Inorganic/organic nanofillers have been extensively exploited to impart thermal stability to polymer nanocomposite via various strategies that can endure structural changes when exposed a wide range of thermal environment during their application. In this abstraction, we have utilized temperature assisted in-situ small angle X-ray scattering (SAXS) to examine the structural orientation distribution of inorganic/organic nanofiller octa phenyl substituted polyhedral oligomeric silsesquioxane (Ph-POSS) in Polycarbonate (PC) matrix from ambient temperature to 180 °C. A constant interval of 30 °C with the heating rate of 3 °C/min was utilized to guise the temperature below and above the glass transition temperature of PC followed by thermal gravimetric, HRTEM, FESEM and hydrophobic analysis at ambient temperature. The HRTEM images of Ph-POSS nano unit demonstrated hyperrectangular structure, while FESEM image of the developed nano composite rendered separated phase containing flocculated and overlapped stacking of POSS units in the PC matrix. The phase separation in polymer nanocomposite was further substantiated by thermodynamic interaction parameter (χ) and mixing energy (Emix) gleaned via Accelrys Materials studio. The SAXS spectra has demonstrated duplex peak at higher scattering vector region, postulated as a primary and secondary segregated POSS domain and followed by abundance of secondary peak with temperature augmentation.

  1. Local structure of Ca(2+) induced hydrogels of alginate-oligoguluronate blends determined by small-angle-X-ray scattering.

    Science.gov (United States)

    Yuguchi, Yoshiaki; Hasegawa, Ami; Padoł, Anna Maria; Draget, Kurt Ingar; Stokke, Bjørn Torger

    2016-11-01

    Short oligoguluronates, oligoG's, are reported to affect the ionotropic gelation of alginates both with respect to altered gelation kinetics and elastic properties of the resulting gels. The local structure of Ca(2+) induced changes in oligoguluronates and blends of oligoguluronates and alginates was determined by small angle X-ray scattering (SAXS). Calcium was introduced in the aqueous polysaccharide solutions by in situ release of Ca(2+) from Ca-EGTA. The scattering profiles of the Ca(2+)-induced structures in the alginate-oligoG blends were accounted for by a two-component broken rod-like model, also with an additional term representing structural inhomogeneity by a Debye-Bueche term. Adding oligoG to the alginate yields an increase in the largest cross-sectional radius in the region of fractional Ca(2+) saturation of α-l-GulA units from 0.5 to 1. The time-lapse characterization during the Ca-induced changes in the alginate-oligoG blends shows that oligoG delays the emergence of the more extensive laterally aggregated junction zones.

  2. Automation and remote access of EMBL small angle X-ray scattering beamline X33 dedicated to biological macromolecules

    International Nuclear Information System (INIS)

    Full text: The small-angle X-ray scattering beamline X33 of the European Molecular Biology Laboratory (EMBL) at the DORIS III storage ring (HASYLAB/DESY) has been dedicated to structural studies of non-crystalline biological systems for more than two decades. In the last several years, the introduction of new optical systems (monochromator, mirror, slits etc) and detector systems (large area image plate Mar345 and PILATUS 1M) leads to an improvement of photon flux by a factor of 3 and a reduction of the exposure time by a factor of 7. Moreover, an automated sample changer has been constructed and in operation since August 2007. The data analysis pipeline consisting of the program suite yields the radius of gyration and forward scattering intensity using Guinier analysis (AutoRg), pair distance distribution function p(r) using indirect Fourier transform method (AutoGNOM), and bead models using ab initio shape determination (DAMMIN and DAMMIF). The results of these analysis which are immediately available after each measurement provides an invaluable tool for data quality control during the data collection. Furthermore, works on remote control of the integrated data collection and analysis software is ongoing and expected to be operated in late 2009 where users can send their samples and control the measurements at home institutes. (author)

  3. Synchrotron small angle X-ray scattering study on the conformation of polystyrene in compressed CO2-toluene mixture

    Institute of Scientific and Technical Information of China (English)

    董宝中; 荣利霞; 柳义; 李丹; 韩布兴; 刘志敏

    2003-01-01

    Synchrotron small angle X-ray scattering (SAXS) was performed to investigate the effect of dissolved CO2 in toluene on the conformation of polystyrene (PS) in the solution. It has been found that the second virial coefficient A2 and the radius of gyration Rg decrease with the increasing antisolvent CO2 pressure. The scattering intensity of PS chain followed l(h)∞h-αunder different antisolvent pressures (0, 0.6, 1.5, 2.4, 3.3, and 4.2 MPa), suggesting that the PS chain has self-similar structure behavior or a fractal structure in the presence of antisolvent CO2.All this reveals a large effect of antisolvent pressure or the solubility of CO2 in the solution on PS structure. The fractal dimensions increase with the increasing antisolvent pressure, indicating that the polymer chain changes from a swollen coil into a rather dense globule in the course of adding antisolvent CO2.

  4. Temperature Assisted in-Situ Small Angle X-ray Scattering Analysis of Ph-POSS/PC Polymer Nanocomposite.

    Science.gov (United States)

    Yadav, Ramdayal; Naebe, Minoo; Wang, Xungai; Kandasubramanian, Balasubramanian

    2016-01-01

    Inorganic/organic nanofillers have been extensively exploited to impart thermal stability to polymer nanocomposite via various strategies that can endure structural changes when exposed a wide range of thermal environment during their application. In this abstraction, we have utilized temperature assisted in-situ small angle X-ray scattering (SAXS) to examine the structural orientation distribution of inorganic/organic nanofiller octa phenyl substituted polyhedral oligomeric silsesquioxane (Ph-POSS) in Polycarbonate (PC) matrix from ambient temperature to 180 °C. A constant interval of 30 °C with the heating rate of 3 °C/min was utilized to guise the temperature below and above the glass transition temperature of PC followed by thermal gravimetric, HRTEM, FESEM and hydrophobic analysis at ambient temperature. The HRTEM images of Ph-POSS nano unit demonstrated hyperrectangular structure, while FESEM image of the developed nano composite rendered separated phase containing flocculated and overlapped stacking of POSS units in the PC matrix. The phase separation in polymer nanocomposite was further substantiated by thermodynamic interaction parameter (χ) and mixing energy (Emix) gleaned via Accelrys Materials studio. The SAXS spectra has demonstrated duplex peak at higher scattering vector region, postulated as a primary and secondary segregated POSS domain and followed by abundance of secondary peak with temperature augmentation. PMID:27436152

  5. X-ray scattering from dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    McSherry, D.J

    2000-09-01

    Dense plasmas were studied by probing them with kilovolt x-rays and measuring those scattered at various angles. The Laser-Produced x-ray source emitted Ti He alpha 4.75 keV x-rays. Two different plasma types were explored. The first was created by laser driven shocks on either side of a sample foil consisting of 2 micron Al layer, sandwiched between two 1 micron CH layers. We have observed a peak in the x-ray scattering cross section, indicating diffraction from the plasma. However, the experimentally inferred plasma density, broadly speaking, did not always agree with the hydrodynamic simulation MEDX (A modified version of MEDUSA). The second plasma type that we studied was created by soft x-ray heating on either side of a sample foil, this time consisting of 1 micron layer of Al, sandwiched between two 0.2 micron CH layers. Two foil targets, each consisting of a 0.1 micron thick Au foil mounted on 1 micron of CH, where placed 4 mm from the sample foil. The soft x-rays where produced by laser irradiating these two foil targets. We found that, 0.5 ns after the peak of the laser heating pulses, the measured cross sections more closely matched those simulated using the Thomas Fermi model than the Inferno model. Later in time, at 2 ns, the plasma is approaching a weakly coupled state. This is the first time x-ray scattering cross sections have been measured from dense plasmas generated by radiatively heating both sides of the sample. Moreover, these are absolute values typically within a factor of two of expectation for early x-ray probe times. (author)

  6. Ca2+-induced structural changes in phosphorylase kinase detected by small-angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Priddy, Timothy S. [University of Missouri and University of Kansas Medical Center; Macdonald, Brian A. [Los Alamos National Laboratory (LANL); Heller, William T [ORNL; Nadeau, Owen W. [University of Kansas Medical Center; Trewhella, Jill [Los Alamos National Laboratory (LANL); Carlson, Gerald M. [University of Kansas Medical Center

    2005-01-01

    Phosphorylase kinase (PhK), a 1.3-MDa ({alpha}{beta}{gamma}{delta}){sub 4} hexadecameric complex, is a Ca{sup 2+}-dependent regulatory enzyme in the cascade activation of glycogenolysis. PhK comprises two arched ({alpha}{beta}{gamma}{delta}){sub 2} octameric lobes that are oriented back-to-back with overall D{sub 2} symmetry and joined by connecting bridges. From chemical cross-linking and electron microscopy, it is known that the binding of Ca{sup 2+} by PhK perturbs the structure of all its subunits and promotes redistribution of density throughout both its lobes and bridges; however, little is known concerning the interrelationship of these effects. To measure structural changes induced by Ca{sup 2+} in the PhK complex in solution, small-angle X-ray scattering was performed on nonactivated and Ca{sup 2+}-activated PhK. Although the overall dimensions of the complex were not affected by Ca{sup 2+}, the cation did promote a shift in the distribution of the scattering density within the hydrated volume occupied by the PhK molecule, indicating a Ca{sup 2+}-induced conformational change. Computer-generated models, based on elements of the known structure of PhK from electron microscopy, were constructed to aid in the interpretation of the scattering data. Models containing two ellipsoids and four cylinders to represent, respectively, the lobes and bridges of the PhK complex provided theoretical scattering profiles that accurately fit the experimental data. Structural differences between the models representing the nonactivated and Ca{sup 2+}-activated conformers of PhK are consistent with Ca{sup 2+}-induced conformational changes in both the lobes and the interlobal bridges.

  7. A new small-angle X-ray scattering set-up on the crystallography beamline I711 at MAX-lab

    DEFF Research Database (Denmark)

    Knaapila, M.; Svensson, C.; Barauskas, J.;

    2009-01-01

    A small-angle X-ray scattering (SAXS) set-up has recently been developed at beamline I711 at the MAX II storage ring in Lund (Sweden). An overview of the required modifications is presented here together with a number of application examples. The accessible q range in a SAXS experiment is 0.009-0...

  8. Combined in situ small and wide angle X-ray scattering studies of TiO2 nano-particle annealing to 1023 K

    DEFF Research Database (Denmark)

    Kehres, Jan; Andreasen, Jens Wenzel; Krebs, Frederik C;

    2010-01-01

    Combined in situ small- and wide-angle X-ray scattering (SAXS/WAXS) studies were performed in a recently developed laboratory setup to investigate the dynamical properties of dry oleic acid-capped titanium dioxide nanorods during annealing in an inert gas stream in a temperature interval of 298-1...

  9. Small-angle X-ray scattering studies of metastable intermediates of beta-lactoglobulin isolated after heat-induced aggregation

    DEFF Research Database (Denmark)

    Carrotta, R.; Arleth, L.; Pedersen, J.S.;

    2003-01-01

    Small-angle x-ray scattering was used for studying intermediate species, isolated after heat-induced aggregation of the A variant of bovine P-lactoglobulin. The intermediates were separated in two fractions, the heated metastable dimer and heated metastable oligomers larger than the dimer. The pa...

  10. Investigation of the solid surface structural inhomogeneities by the 'combined' small-angle X-ray scattering and Hg porosimetry methods

    Science.gov (United States)

    Skatkov, L. I.; Cheremskoy, P. G.; Gomozov, V. P.; Bayrachny, B. I.

    1996-08-01

    The surface inhomogeneities, i.e. submicropores of porous solids, were investigated by combination of the small-angle X-ray scattering (SAXS) [1-4] and Hg porosimetry methods [5,6]. An optimal approximation of the submicropore shapes and correlation between the shape and the radius of the pores was obtained. The fractal nature of the investigated structure was shown.

  11. Studying nanostructure gradients in injection-molded polypropylene/montmorillonite composites by microbeam small-angle x-ray scattering

    International Nuclear Information System (INIS)

    The core–shell structure in oriented cylindrical rods of polypropylene (PP) and nanoclay composites (NCs) from PP and montmorillonite (MMT) is studied by microbeam small-angle x-ray scattering (SAXS). The structure of neat PP is almost homogeneous across the rod showing regular semicrystalline stacks. In the NCs the discrete SAXS of arranged crystalline PP domains is limited to a skin zone of 300 μm thickness. Even there only frozen-in primary lamellae are detected. The core of the NCs is dominated by diffuse scattering from crystalline domains placed at random. The SAXS of the MMT flakes exhibits a complex skin–core gradient. Both the direction of the symmetry axis and the apparent perfection of flake-orientation are varying. Thus there is no local fiber symmetry, and the structure gradient cannot be reconstructed from a scan across the full rod. To overcome the problem the rods are machined. Scans across the residual webs are performed. For the first time webs have been carved out in two principal directions. Comparison of the corresponding two sets of SAXS patterns demonstrates the complexity of the MMT orientation. Close to the surface (< 1 mm) the flakes cling to the wall. The variation of the orientation distribution widths indicates the presence of both MMT flakes and grains. The grains have not been oriented in the flowing melt. An empirical equation is presented which describes the variation from skin to core of one component of the inclination angle of flake-shaped phyllosilicate filler particles. (paper)

  12. DMSO-induced dehydration of DPPC membranes studied by x-ray diffraction, small angle neutron scattering and calorimetry

    International Nuclear Information System (INIS)

    The properties of dimethyl sulfoxide (DMSO), a cryoprotector well known for its biological and therapeutic applications, were investigated on lipid membranes by x-ray diffraction, differential scanning calorimetry (DSC) and small angle neutron scattering (SANS). The DSC study of water freezing and melting of ice was performed in the ternary system which consists of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC)/DMSO/water system. The influence of DMSO on the DPPC membrane structure was established in the excess of solvent in the region of DMSO mole fraction from 0.0 to 1.0. The methods applied demonstrated the differences in the membrane structure in three sub-regions of DMSO mole fraction (XDMSO) from 0.0 to 0.3 for the first, from 0.3 to 0.9 for the second, and from 0.9 to 1.0 for the third sub-region. The results for 0.0 ≤ XDMSO ≤ 0.3 can be explained in the framework of DMSO-induced dehydration of intermembrane space

  13. Small angle X-ray scattering coupled with in situ electromechanical probing of nanoparticle-based resistive strain gauges.

    Science.gov (United States)

    Decorde, Nicolas; Sangeetha, Neralagatta M; Viallet, Benoit; Viau, Guillaume; Grisolia, Jérémie; Coati, Alessandro; Vlad, Alina; Garreau, Yves; Ressier, Laurence

    2014-12-21

    A comprehensive study on the electromechanical behavior of nanoparticle-based resistive strain gauges in action through normal and grazing incidence small angle X-ray scattering (SAXS/GISAXS) investigations is presented. The strain gauges were fabricated from arrays of colloidal gold nanoparticle (NP) wires assembled on flexible polyethylene terephthalate and polyimide substrates by convective self-assembly. Microstructural changes (mean interparticle distance variations) within these NP wires under uniaxial stretching estimated by SAXS/GISAXS are correlated to their macroscopic electrical resistance variations. SAXS measurements suggest a linear longitudinal extension and transversal contraction of the NP wires with applied strain (0 to ∼ 13%). The slope of this longitudinal variation is less than unity, implying a partial strain transfer from the substrate to the NP wires. The simultaneously measured electrical resistance of the strain gauges shows an exponential variation within the elastic domain of the substrate deformation, consistent with electron tunnelling through the interparticle gaps. A slower variation observed within the plastic domain suggests the formation of new electronic conduction pathways. Implications of transversal contraction of the NP wires on the directional sensitivities of strain gauges are evaluated by simulating electronic conduction in models mimicking a realistic NP arrangement. A loss of directionality of the NP-based strain gauges due to transversal current flow within the NP wires is deduced. PMID:25371292

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

    International Nuclear Information System (INIS)

    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

  15. Collagen fibril alignment and deformation during tensile strain of leather: a small-angle X-ray scattering study.

    Science.gov (United States)

    Basil-Jones, Melissa M; Edmonds, Richard L; Norris, Gillian E; Haverkamp, Richard G

    2012-02-01

    The distribution and effect of applied strain on the collagen fibrils that make up leather may have an important bearing on the ultimate strength and other physical properties of the material. While sections of ovine and bovine leather were being subjected to tensile strain up to rupture, synchrotron-based small-angle X-ray scattering (SAXS) spectra were recorded edge-on to the leather at points from the corium to the grain. Measurements of both fibril orientation and collagen d spacing showed that, initially, the fibers reorient under strain, becoming more aligned. As the strain increases (5-10% strain), further fibril reorientation diminishes until, at 37% strain, the d spacing increases by up to 0.56%, indicating that significant tensile forces are being transmitted to individual fibrils. These changes, however, are not uniform through the cross-section of leather and differ between leathers of different strengths. The stresses are taken up more evenly through the leather cross-section in stronger leathers in comparison to weaker leathers, where stresses tended to be concentrated during strain. These observations contribute to our understanding of the internal strains and structural changes that take place in leather under stress.

  16. Poisson's ratio of collagen fibrils measured by small angle X-ray scattering of strained bovine pericardium

    Energy Technology Data Exchange (ETDEWEB)

    Wells, Hannah C.; Sizeland, Katie H.; Kayed, Hanan R.; Haverkamp, Richard G., E-mail: r.haverkamp@massey.ac.nz [School of Engineering and Advanced Technology, Massey University, Private Bag 11222, Palmerston North 4442 (New Zealand); Kirby, Nigel; Hawley, Adrian; Mudie, Stephen T. [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia)

    2015-01-28

    Type I collagen is the main structural component of skin, tendons, and skin products, such as leather. Understanding the mechanical performance of collagen fibrils is important for understanding the mechanical performance of the tissues that they make up, while the mechanical properties of bulk tissue are well characterized, less is known about the mechanical behavior of individual collagen fibrils. In this study, bovine pericardium is subjected to strain while small angle X-ray scattering (SAXS) patterns are recorded using synchrotron radiation. The change in d-spacing, which is a measure of fibril extension, and the change in fibril diameter are determined from SAXS. The tissue is strained 0.25 (25%) with a corresponding strain in the collagen fibrils of 0.045 observed. The ratio of collagen fibril width contraction to length extension, or the Poisson's ratio, is 2.1 ± 0.7 for a tissue strain from 0 to 0.25. This Poisson's ratio indicates that the volume of individual collagen fibrils decreases with increasing strain, which is quite unlike most engineering materials. This high Poisson's ratio of individual fibrils may contribute to high Poisson's ratio observed for tissues, contributing to some of the remarkable properties of collagen-based materials.

  17. The morphology of block copolymer micelles in supercritical carbon dioxide by small-angle neutron and X-ray scattering

    International Nuclear Information System (INIS)

    Above its critical point, carbon dioxide forms a supercritical fluid, which promises to be an environmentally responsible replacement for the organic solvents traditionally used in polymerizations. Many lipophilic polymers such as polystyrene (PS) are insol- uble in CO2, though polymerizations may be accomplished via the use of PS-fluoropolymer stabilizers, which act as emulsifying agents. Small-angle neutron and X-ray scattering have been used to show that these molecules form micelles with a CO2-phobic PS core and a CO2-philic fluoropolymer corona. When the PS block was fixed in length and the fluorinated corona block was varied, the number of block copolymer molecules per micelle (six to seven) remained constant. Thus, the coronal block molecular weight exerts negligible influence on the aggregation number, in accordance with the theoretical predictions of Halperin, Tirrell and Lodge [Adv. Polym. Sci. (1992), 100, 31-46]. These observations are relevant to understanding the mechanisms of micellization and solubilization in supercritical fluids. (orig.)

  18. The morphology of block copolymer micelles in supercritical carbon dioxide by small-angle neutron and X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Londono, J.D.; Dharmapurikar, R.; Cochran, H.D.; Wignall, G.D. [Oak Ridge National Lab., TN (United States); McClain, J.B.; Betts, D.E.; Canelas, D.A.; DeSimone, J.M.; Samulski, E.T.; Chillura-Martino, D.; Triolo, R.

    1997-10-01

    Above its critical point, carbon dioxide forms a supercritical fluid, which promises to be an environmentally responsible replacement for the organic solvents traditionally used in polymerizations. Many lipophilic polymers such as polystyrene (PS) are insol- uble in CO{sub 2}, though polymerizations may be accomplished via the use of PS-fluoropolymer stabilizers, which act as emulsifying agents. Small-angle neutron and X-ray scattering have been used to show that these molecules form micelles with a CO{sub 2}-phobic PS core and a CO{sub 2}-philic fluoropolymer corona. When the PS block was fixed in length and the fluorinated corona block was varied, the number of block copolymer molecules per micelle (six to seven) remained constant. Thus, the coronal block molecular weight exerts negligible influence on the aggregation number, in accordance with the theoretical predictions of Halperin, Tirrell and Lodge [Adv. Polym. Sci. (1992), 100, 31-46]. These observations are relevant to understanding the mechanisms of micellization and solubilization in supercritical fluids. (orig.). 24 refs.

  19. Synchrotron small angle x-ray scattering study of dye-sensitized/-unsensitized TiO2 nanoparticle colloidal solution

    Institute of Scientific and Technical Information of China (English)

    Hong Xin-Guo; Du Lu-Chao; Ye Man-Ping; Weng Yu-Xiang

    2004-01-01

    The wide-gap semiconductor TiO2 nanoparticles with and without dye sensitization have been studied by small angle x-ray scattering using synchrotron radiation. Surface properties of the colloidal TiO2 nanoparticles have been analysed in terms of the surface fractal dimensions (Ds), showing that Ds changes from 3.25 to 2.34 when TiO2nanoparticles are sensitized by ATRA (all-trans-retinoic acid), which reveals that the surface of the particles become relatively smooth after dye sensitization. The size distribution of gyration radius of TiO2 nanoparticles in the colloids M(Rg) has been successfully determined by the Shull-Roess method. The main peak of M(Rg) for the unsensitized TiO2colloid is located at 2.1nm, corresponding to a spherical diameter of 5.4nm, and this value for the ATRA sensitized TiO2increases to 2.4nm, indicating a spherical diameter of 6.4nm. Such a size enlargement of TiO2 nanoparticles suggests that there is a coating of ATRA on the TiO2 surface, supporting the view that a monolayer of the dye has been attached to the surface of the TiO2 nanoparticle.

  20. In situ small-angle X-ray scattering analysis of palladium nanoparticle growth on tobacco mosaic virus nanotemplates.

    Science.gov (United States)

    Manocchi, Amy K; Seifert, Soenke; Lee, Byeongdu; Yi, Hyunmin

    2011-06-01

    We present an examination of palladium (Pd) nanoparticle growth on genetically modified tobacco mosaic virus (TMV1cys) nanotemplates via in situ small-angle X-ray scattering (SAXS). Specifically, we examine the role of the TMV1cys templates in Pd nanoparticle formation through the electroless reduction of Pd precursor by a chemical reducing agent as compared to identical conditions in the absence of the TMV1cys templates. We show that in the presence of TMV1cys, the viral nanotemplates provide preferential growth sites for Pd nanoparticle formation, as no measurable Pd particle growth was observed in the bulk solution. In situ SAXS confirmed that particle formation was due to the rapid adsorption of Pd atoms onto the TMV1cys templates at the very early stage of mixing, rather than adsorption of particles formed in the bulk solution. Importantly, Pd nanoparticles were significantly smaller and more uniform as compared to particle formation in the absence of TMV1cys. The Pd nanoparticle coating density was tunable based on Pd precursor concentration. Finally, we show that Pd particle growth on the TMV1cys templates was highly rapid, and complete within 33 s for most samples, in contrast to slower Pd particle growth in the absence of TMV templates. We envision that the results presented here will be valuable in furthering the fundamental understanding of the role of viral nanotemplates in particle formation, as well as of their utility in a wide range of applications. PMID:21520923

  1. DMSO-Induced Dehydration of DPPC Membranes Studied by X-ray Diffraction, Small-Angle Neutron Scattering, and Calorimetry

    CERN Document Server

    Kiselev, M A; Kisselev, A M; Grabielle-Madelmond, C; Ollivon, M

    1999-01-01

    The influence of dimethyl sulfoxide (DMSO) on membrane thickness, multilamellar repeat distance, and phase transitions of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) was investigated by X-ray diffraction and small-angle neutron scattering (SANS). The differential scanning calorimetry (DSC) study of water freezing and ice melting was performed in the ternary DPPC /DMSO /water and binary DMSO /water systems. The methods applied demonstrated the differences in membrane structure in three sub-regions of the DMSO mole fraction (X_dmso): from 0.0 to 0.3 for the first, from 0.3 to 0.8 for the second, and from 0.9 to 1.0 for the third sub-region. The thickness of the intermembrane solvent at T =20C decreases from 14.4 +/- 1.8 A at X_dmso =0.0 to 7.8 +/- 1.8 A at X_dmso =0.1. The data were used to determine the number of free water molecules in the intermembrane space in the presence of DMSO. The results for 0.0 < X_dmso < 0.3 were explained in the framework of DMSO-induced dehydration of the interme...

  2. Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application.

    Science.gov (United States)

    Boldon, Lauren; Laliberte, Fallon; Liu, Li

    2015-01-01

    In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics' equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques. PMID:25721341

  3. Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application

    Directory of Open Access Journals (Sweden)

    Lauren Boldon

    2015-02-01

    Full Text Available In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS experiments, molecular dynamics (MD simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

  4. Mass-fractal growth in niobia/silsesquioxane mixtures: a small-angle X-ray scattering study

    Science.gov (United States)

    Besselink, Rogier; ten Elshof, Johan E.

    2014-01-01

    The nucleation and growth of niobium pentaethoxide (NPE)-derived clusters in ethanol, through acid-catalyzed hydrolysis/condensation in the presence and absence of the silsesquioxane 1,2-bis(triethoxysilyl)ethane (BTESE), was monitored at 298–333 K by small-angle X-ray scattering. The data were analyzed with a newly derived model for polydisperse mass-fractal-like structures. At 298–313 K in the absence of BTESE the data indicated the development of relatively monodisperse NPE-derived structures with self-preserving polydispersity during growth. The growth exponent was consistent with irreversible diffusion-limited cluster agglomeration. At 333 K the growth exponent was characteristic for fast-gelling reaction-limited cluster agglomeration. The reaction yielded substantially higher degrees of polydispersity. In the presence of BTESE the growth exponents were substantially smaller. The smaller growth exponent in this case is not consistent with irreversible Smoluchowski-type agglomeration. Instead, reversible Lifshitz–Slyozov-type agglomeration seems to be more consistent with the experimental data. PMID:25294980

  5. The Structure of Urease Activiation Complexes Examined by Flexibility Analysis, Mutagenesis, and Small-angle X-ray Scattering Approaches

    Energy Technology Data Exchange (ETDEWEB)

    Quiroz, Soledad [Michigan State University, East Lansing; Sukuru, Sai Chetan K. [Michigan State University, East Lansing; Hausinger, Robert P. [Michigan State University, East Lansing; Kuhn, Leslie A. [Michigan State University, East Lansing; Heller, William T [ORNL

    2008-01-01

    Conformational changes of Klebsiella aerogenes urease apoprotein (UreABC){sub 3} induced upon binding of the UreD and UreF accessory proteins were examined by a combination of flexibility analysis, mutagenesis, and small-angle X-ray scattering (SAXS). ProFlex analysis of urease provided evidence that the major domain of UreB can move in a hinge-like motion to account for prior chemical cross-linking results. Rigidification of the UreB hinge region, accomplished through a G11P mutation, reduced the extent of urease activation, in part by decreasing the nickel content of the mutant enzyme, and by sequestering a portion of the urease apoprotein in a novel activation complex that includes all of the accessory proteins. SAXS analyses of urease, (UreABC-UreD){sub 3}, and (UreABC-UreDF){sub 3} confirm that UreD and UreF bind near UreB at the periphery of the (UreAC){sub 3} structure. This study supports an activation model in which a domain-shifted UreB conformation in (UreABC-UreDF){sub 3} allows CO{sub 2} and nickel ions to gain access to the nascent active site.

  6. Solution properties of a hydrophobically associating polyacrylamide and its polyelectrolyte derivatives determined by Light Scattering, Small Angle X-ray Scattering and viscometry

    Energy Technology Data Exchange (ETDEWEB)

    Maia, Ana M.S.; Vidal, Rosangela R.L.; Balaban, Rosangela C., E-mail: balaban@supercabo.com.b [Universidade Federal do Rio Grande do Norte (LAPET/DQ/UFRN), Natal, RN (Brazil). Dept. de Quimica. Lab. de Pesquisa em Petroleo; Villetti, Marcos A. [Universidade Federal de Santa Maria (DF/UFSM), RS (Brazil). Dept. de Fisica; Borsali, Redouane [Universite Bordeaux 1, Pessac Cedex (France)

    2011-07-01

    A hydrophobically-modified polyacrylamide and two partially hydrolyzed derivatives containing hydrophobic and carboxylic groups were prepared by micellar polymerization and post hydrolysis. The molecular weight, second virial coefficient and radius of gyration were determined by static light scattering (SLS). Dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS) were employed to determine the aggregate formation and type of chain packing in the semidilute regime, respectively. The behavior of solutions in dilute and semidilute regimes was also studied by viscometry and rheology. The hydrophobically-modified polyacrylamide showed a tendency to form aggregates due to the hydrophobic groups, but not enough to increase apparent viscosity. The partially hydrolyzed derivatives did not show the same aggregate-forming tendency. Rather, they exhibited anisotropic behavior, due to the charge density introduced into the polymer chain, which led to a more elongated macromolecular conformation and higher viscosity. (author)

  7. Use of intermediate focus for grazing incidence small and wide angle x-ray scattering experiments at the beamline P03 of PETRA III, DESY

    Energy Technology Data Exchange (ETDEWEB)

    Santoro, G.; Buffet, A.; Döhrmann, R.; Yu, S.; Roth, S. V. [Photon Science, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, D-22607 Hamburg (Germany); Körstgens, V.; Müller-Buschbaum, P. [Physik-Department, Technische Universität München, Lehrstuhl für Funktionelle Materialien, James-Franck-Str. 1, D-85748 Garching (Germany); Gedde, U.; Hedenqvist, M. [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Fibre and Polymer Technology, SE-10044 Stockholm (Sweden)

    2014-04-15

    We describe the new experimental possibilities of the micro- and nanofocus X-ray scattering beamline P03 of the synchrotron source PETRA III at DESY, Hamburg (Germany), which arise from experiments with smaller beam sizes in the micrometer range. This beamline has been upgraded recently to perform new kinds of experiments. The use of an intermediate focus allows for reducing the beam size of microfocused hard X-rays while preserving a large working distance between the focusing elements and the focus position. For the first time, this well-known methodology has been employed to grazing incidence small- and wide-angle X-ray scattering (GISAXS/GIWAXS). As examples, we highlight the applications to in situ studies using microfluidic devices in GISAXS geometry as well as the investigation of the crystallinity of thin films in GIWAXS geometry.

  8. Small-angle X-ray scattering at high brilliance european synchrotrons for biotechnology and nano-technology

    Energy Technology Data Exchange (ETDEWEB)

    Svergun, D.; Malfois, M. [EMBL c/o DESY, Hamburg (Germany); Svergun, D. [Institute of Crystallography, Russian Academy of Sciences, Moscow (Russian Federation); Douka, M. [Commission Europeenne, DG III, Bruxelles (Belgium); Riekel, Ch. [European Synchrotron Radiation Facility (ESRF), 38 - Grenoble (France); Perez, J. [Soleil, 91 - Saclay (France); Roessle, M. [European Molecular Biology Laboratory (EMBL), 38 - Grenoble (France); Amenitsch, H. [IBN/Elettra (Germany); Gunter Grossman, J. [Daresbury Synchrotron Radiation Source (SRS) (United Kingdom); Vestergaard, B. [University of Pharmaceutical Sciences, Copenhagen (Denmark); Receveur-Brechot, V. [Centre National de la Recherche Scientifique (CNRS/AFMB), 13 - Marseille (France); Roth, St.V. [Deutsches Elektronen Synchrotron (HASYLAB), Hamburg (Germany); Ferrari, E. [National Institute for the Physics of Matter (CNR-INFM), Trieste (Italy)

    2007-07-01

    Different issues such as micro-fluidic devices for SAXS (small-angle X-ray diffraction), the use of electro-spray and ion trapping for SAXS in the gas phase, the study of flexible and disordered proteins through SAXS, the time-resolved SAXS studies in solution, or the study of nano-structured soft materials, were addressed in this workshop. This document gathers the transparencies of the presentations.

  9. Small-angle X-ray scattering at high brilliance european synchrotrons for biotechnology and nano-technology

    International Nuclear Information System (INIS)

    Different issues such as micro-fluidic devices for SAXS (small-angle X-ray diffraction), the use of electro-spray and ion trapping for SAXS in the gas phase, the study of flexible and disordered proteins through SAXS, the time-resolved SAXS studies in solution, or the study of nano-structured soft materials, were addressed in this workshop. This document gathers the transparencies of the presentations

  10. Small angle x-ray scattering study on the conformation of polystyrene in toluene during adding anti-solvent CO2

    Institute of Scientific and Technical Information of China (English)

    柳义; 陈东风; 王洪立; 陈娜; 李丹; 韩布兴; 荣利霞; 赵辉; 王俊; 董宝中

    2002-01-01

    The conformation of polystyrene in the anti-solvent process of supercritical fluids (compressed CO2 + polystyrene + toluene) has been studied by small angle x-ray scattering with synchrotron radiation as an x-ray source. Coilto-globule transformation of the polystyrene chain was observed with the increase of the anti-solvent CO2 pressure;i.e. polystyrene coiled at a pressure lower than the cloud point pressure (Pc) and turned into a globule with a uniform density at pressures higher than Pc. Fractal behaviour was also found in the chain contraction, and the mass fractal dimension increased with increasing CO2 pressure.

  11. Synchrotron Small-Angle X-Ray Scattering Investigation on Integral Membrane Protein Light-Harvesting Complex LH2 from Photosynthetic Bacterium Rhodopseudomonas Acidophila

    Institute of Scientific and Technical Information of China (English)

    DU Lu-Chao; WENG Yu-Xiang; HONG Xin-Guo; XIAN Ding-Chang; Kobayashi Katsumi

    2006-01-01

    @@ Structures of membrane protein in solution are different from that in crystal phase. We present the primary results of small angle x-ray scattering (SAXS) resolved topological structures of a light harvesting antenna membrane protein complex LH2 from photosynthetic bacteria Rhodopseudomonas acidophila in detergent solution for the first time. Our results show that the elliptical shape of the LH2 complex in solution clearly deviates from its circular structure in crystal phase determined by x-ray diffraction. This result provides an insight into the structure and function interplay in LH2.

  12. Scattering by Interstellar Dust Grains. II. X-Rays

    CERN Document Server

    Draine, B T

    2003-01-01

    Scattering and absorption of X-rays by interstellar dust is calculated for a model consisting of carbonaceous grains and amorphous silicate grains. The calculations employ realistic dielectric functions with structure near X-ray absorption edges, with resulting features in absorption, scattering, and extinction. Differential scattering cross sections are calculated for energies between 0.3 and 10 keV. The median scattering angle is given as a function of energy, and simple but accurate approximations are found for the X-ray scattering properties of the dust mixture, as well as for the angular distribution of the scattered X-ray halo for dust with simple spatial distributions. Observational estimates of the X-ray scattering optical depth are compared to model predictions. Observations of X-ray halos to test interstellar dust grain models are best carried out using extragalactic point sources.

  13. EXPRESSION, PURIFICATION, AND SMALL ANGLE X-RAY SCATTERING OF DNA REPLICATION AND REPAIR PROTEINS FROM THE HYPERTHERMOPHILE SULFOLOBUS SOLFATARICUS

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, S.M.; Hatherill, J.R.; Hammel, M.; Hura, G.L.; Tainer, J.A.; Yannone, S.M.

    2008-01-01

    Vital molecular processes such as DNA replication, transcription, translation, and maintenance occur through transient protein interactions. Elucidating the mechanisms by which these protein complexes and interactions function could lead to treatments for diseases related to DNA damage and cell division control. In the recent decades since its introduction as a third domain, Archaea have shown to be simpler models for complicated eukaryotic processes such as DNA replication, repair, transcription, and translation. Sulfolobus solfataricus is one such model organism. A hyperthermophile with an optimal growth temperature of 80°C, Sulfolobus protein-protein complexes and transient protein interactions should be more stable at moderate temperatures, providing a means to isolate and study their structure and function. Here we provide the initial steps towards characterizing three DNA-related Sulfolobus proteins with small angle X-ray scattering (SAXS): Sso0257, a cell division control and origin recognition complex homolog, Sso0768, the small subunit of the replication factor C, and Sso3167, a Mut-T like protein. SAXS analysis was performed at multiple concentrations for both short and long exposure times. The Sso0257 sample was determined to be either a mixture of monomeric and dimeric states or a population of dynamic monomers in various conformational states in solution, consistent with a fl exible winged helix domain. Sso0768 was found to be a complex mixture of multimeric states in solution. Finally, molecular envelope reconstruction from SAXS data for Sso3167 revealed a novel structural component which may function as a disordered to ordered region in the presence of its substrates and/or protein partners.

  14. In-Situ Anomalous Small-Angle X-ray Scattering Studies of Polymer Electrolyte Membrane Fuel Cell Catalyst Degradation

    Science.gov (United States)

    Gilbert, James Andrew

    Polymer electrolyte membrane fuel cells (PEMFCs) are a promising high efficiency energy conversion technology, but their cost effective implementation, especially for automotive power, has been hindered by degradation of the electrochemically-active surface area (ECA) of the Pt nanoparticle electrocatalysts. While numerous studies using ex-situ post-mortem techniques have provided insight into the effect of operating conditions on ECA loss, the governing mechanisms and underlying processes are not fully understood. Toward the goal of elucidating the electrocatalyst degradation mechanisms, we have followed particle size distribution (PSD) growth evolutions of Pt and Pt-alloy nanoparticle catalysts during potential cycling in an aqueous acidic environment (with and without flow of electrolyte) and in a fuel cell environment using in-situ anomalous small-angle X-ray scattering (ASAXS). The results of this thesis show a surface area loss mechanism of Pt nanoparticles supported on carbon to be predominantly controlled by Pt dissolution, the particle size dependence of Pt dissolution, the loss of dissolved Pt into the membrane and electrolyte, and, to a lesser extent, the re-deposition of dissolved Pt onto larger particles. The relative extent of these loss mechanisms are shown to be dependent on the environment, the temperature, and the potential cycling conditions. Correlation of ASAXS-determined particle growth with both calculated and voltammetrically-determined oxide coverages demonstrates that the oxide coverage is playing a key role in the dissolution process and in the corresponding growth of the mean Pt nanoparticle size and loss of ECA. This understanding potentially reduces the complex changes in PSDs and ECA resulting from various voltage profiles to the response to a single variable, oxide coverage. A better understanding of the degradation mechanisms of Pt and Pt-alloy nanoparticle distributions could lead to more stable electrocatalysts while

  15. In situ anomalous small-angle X-ray scattering studies of platinum nanoparticle fuel cell electrocatalyst degradation.

    Science.gov (United States)

    Gilbert, James A; Kariuki, Nancy N; Subbaraman, Ram; Kropf, A Jeremy; Smith, Matt C; Holby, Edward F; Morgan, Dane; Myers, Deborah J

    2012-09-12

    Polymer electrolyte fuel cells (PEFCs) are a promising high-efficiency energy conversion technology, but their cost-effective implementation, especially for automotive power, has been hindered by degradation of the electrochemically active surface area (ECA) of the Pt nanoparticle electrocatalysts. While numerous studies using ex situ post-mortem techniques have provided insight into the effect of operating conditions on ECA loss, the governing mechanisms and underlying processes are not fully understood. Toward the goal of elucidating the electrocatalyst degradation mechanisms, we have followed Pt nanoparticle growth during potential cycling of the electrocatalyst in an aqueous acidic environment using in situ anomalous small-angle X-ray scattering (ASAXS). ASAXS patterns were analyzed to obtain particle size distributions (PSDs) of the Pt nanoparticle electrocatalysts at periodic intervals during the potential cycling. Oxide coverages reached under the applied potential cycling protocols were both calculated and determined experimentally. Changes in the PSD, mean diameter, and geometric surface area identify the mechanism behind Pt nanoparticle coarsening in an aqueous environment. Over the first 80 potential cycles, the dominant Pt surface area loss mechanism when cycling to 1.0-1.1 V was found to be preferential dissolution or loss of the smallest particles with varying extents of reprecipitation of the dissolved species onto existing particles, resulting in particle growth, depending on potential profile. Correlation of ASAXS-determined particle growth with both calculated and voltammetrically determined oxide coverages demonstrates that the oxide coverage is playing a key role in the dissolution process and in the corresponding growth of the mean Pt nanoparticle size and loss of ECA. This understanding potentially reduces the complex changes in PSD and ECA resulting from various voltage profiles to a response dependent on oxide coverage. PMID:22857132

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

    International Nuclear Information System (INIS)

    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 Se0 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. 1H NMR cryoporometry allowed us to reveal the details of changes in the sizes of small aqueous pores during modifications.

  17. 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

    Energy Technology Data Exchange (ETDEWEB)

    Babushkina, T. A.; Klimova, T. P. [Russian Academy of Sciences, Nesmeyanov Institute of Organoelement Compounds (Russian Federation); Shtykova, E. V.; Dembo, K. A.; Volkov, V. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Khripunov, A. K. [Russian Academy of Sciences, Institute of Macromolecular Compounds (Russian Federation); Klechkovskaya, V. V., E-mail: klechvv@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    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.

  18. In-situ small-angle x-ray scattering study of nanoparticles in the plasma plume induced by pulsed laser irradiation of metallic targets

    Energy Technology Data Exchange (ETDEWEB)

    Lavisse, L.; Jouvard, J.-M.; Girault, M.; Potin, V.; Andrzejewski, H.; Marco de Lucas, M. C.; Bourgeois, S. [Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), UMR 6303 CNRS-Universite de Bourgogne, 9 Avenue A. Savary, BP 47870-21078 Dijon Cedex (France); Le Garrec, J.-L.; Carles, S.; Mitchell, J. B. A. [Institut de Physique de Rennes, UMR 6251 CNRS-Universite de Rennes 1, 35042 Rennes Cedex (France); Hallo, L. [CEA CESTA, 15 Avenue des Sablieres CS 60001, 33116 Le Barp Cedex (France); Perez, J. [Synchrotron SOLEIL, L' Orme des Merisiers, Saint-Aubin, F-91192 Gif-sur-Yvette Cedex (France); Decloux, J. [Kaluti System, Optique et Laser, Centre Scientifique d' Orsay, 91400 Orsay (France)

    2012-04-16

    Small angle x-ray scattering was used to probe in-situ the formation of nanoparticles in the plasma plume generated by pulsed laser irradiation of a titanium metal surface under atmospheric conditions. The size and morphology of the nanoparticles were characterized as function of laser irradiance. Two families of nanoparticles were identified with sizes on the order of 10 and 70 nm, respectively. These results were confirmed by ex-situ transmission electron microscopy experiments.

  19. Small-angle X-ray scattering investigation of aging behavior of Al-Cu-Mg-Ag alloys using synchrotron radiation

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    The aging behavior of Al-Cu-Mg-Ag alloys with high Cu/Mg was studied by transmission electron microscopy (TEM) and small-angle X-ray scattering (SAXS) using synchrotron radiation. TEM study reveals that the major strengthening phases of the alloy after aging at 160?C for 10 h are Ω and less θ′. SAXS study shows that the scattering patterns are composed of several concentric circles at the beginning of aging process, which is replaced by the butterfly-wings scattering patterns with the increase of aging time...

  20. Monolayer sorption of neon in mesoporous silica glass as monitored by wide-angle x-ray scattering.

    Science.gov (United States)

    Kilburn, Duncan; Sokol, Paul E

    2008-02-01

    We report measurements of the x-ray scattering intensity as mesoporous silica glasses are filled with neon. The intensity of the first peak in the liquidlike diffraction pattern increases nonlinearly with mass adsorbed. We outline a simple model assuming that the major coherent contribution to the first peak in the scattering function S(Q) is due to interference from nearest-neighbor scatterers. This allows us to demonstrate an approach for surface area determination which does not rely on thermodynamic models -- and is therefore complementary to existing methods. We also suggest that the overestimation of surface area by the traditional Brunauer-Emmett-Teller method may be resolved by using the capillary, and not the bulk, condensation pressure as the reference pressure p(0). Furthermore, the alternative analysis offers an insight into the atomic structure of monatomic sorption, which may be of use for further studies on materials with different surface properties.

  1. A point-focusing small angle x-ray scattering camera using a doubly curved monochromator of a W/Si multilayer

    Science.gov (United States)

    Sasanuma, Yuji; Law, Robert V.; Kobayashi, Yuji

    1996-03-01

    A point-focusing small angle x-ray scattering (SAXS) camera using a doubly curved monochromator of a W/Si multilayer has been designed, constructed, and tested. The two radii of curvature of the monochromator are 20 400 and 7.6 mm. The reflectivity of its first-order Bragg reflection for CuKα radiation was calculated to be 0.82, being comparable to that (0.81) of its total reflection. By only 10 s x-ray exposure, scattering from a high-density polyethylene film was detected on an imaging plate (IP). A rotating-anode x-ray generator operated at 40 kV and 30 mA was used. Diffraction from rat-tail collagen has shown that the optical arrangement gives the Bragg spacing up to, at least, 30 nm for CuKα radiation. Combined with IPs, the camera may permit us to carry out time-resolved SAXS measurements for phase behaviors of liquid crystals, lipids, polymer alloys, etc., on conventional x-ray generators available in laboratories.

  2. Small-angle X-ray scattering study of the growth kinetics of CuCl nanocrystals in NaCl

    OpenAIRE

    Kranold, R.; Kriesen, S.; Haselhoff, M.; Weber, H.-J.; Goerigk, G.

    2003-01-01

    The precipitation of CuCl nanocrystals in a NaCl matrix has been studied by time-resolved small-angle X-ray scattering. The experimental results suggest that the nucleation process is accelerated by lattice defects of the matrix remaining in the NaCl lattice after the dissolution of previous nanocrystals at high temperature. The evolution of structural parameters calculated from the scattering curves, such as volume fraction, mean radius and particle number density of the nanocrystals, is dis...

  3. In Operando Monitoring of the Pore Dynamics in Ordered Mesoporous Electrode Materials by Small Angle X-ray Scattering.

    Science.gov (United States)

    Park, Gwi Ok; Yoon, Jeongbae; Park, Eunjun; Park, Su Bin; Kim, Hyunchul; Kim, Kyoung Ho; Jin, Xing; Shin, Tae Joo; Kim, Hansu; Yoon, Won-Sub; Kim, Ji Man

    2015-05-26

    To monitor dynamic volume changes of electrode materials during electrochemical lithium storage and removal process is of utmost importance for developing high performance lithium storage materials. We herein report an in operando probing of mesoscopic structural changes in ordered mesoporous electrode materials during cycling with synchrotron-based small angel X-ray scattering (SAXS) technique. In operando SAXS studies combined with electrochemical and other physical characterizations straightforwardly show how porous electrode materials underwent volume changes during the whole process of charge and discharge, with respect to their own reaction mechanism with lithium. This comprehensive information on the pore dynamics as well as volume changes of the electrode materials will not only be critical in further understanding of lithium ion storage reaction mechanism of materials, but also enable the innovative design of high performance nanostructured materials for next generation batteries. PMID:25869353

  4. A Mo-anode-based in-house source for small-angle X-ray scattering measurements of biological macromolecules

    International Nuclear Information System (INIS)

    We demonstrate the use of a molybdenum-anode-based in-house small-angle X-ray scattering (SAXS) setup to study biological macromolecules in solution. Our system consists of a microfocus X-ray tube delivering a highly collimated flux of 2.5 × 106 photons/s at a beam size of 1.2 × 1.2 mm2 at the collimation path exit and a maximum beam divergence of 0.16 mrad. The resulting observable scattering vectors q are in the range of 0.38 Å−1 down to 0.009 Å−1 in SAXS configuration and of 0.26 Å−1 up to 5.7 Å−1 in wide-angle X-ray scattering (WAXS) mode. To determine the capabilities of the instrument, we collected SAXS data on weakly scattering biological macromolecules including proteins and a nucleic acid sample with molecular weights varying from ∼12 to 69 kDa and concentrations of 1.5–24 mg/ml. The measured scattering data display a high signal-to-noise ratio up to q-values of ∼0.2 Å−1 allowing for an accurate structural characterization of the samples. Moreover, the in-house source data are of sufficient quality to perform ab initio 3D structure reconstructions that are in excellent agreement with the available crystallographic structures. In addition, measurements for the detergent decyl-maltoside show that the setup can be used to determine the size, shape, and interactions (as characterized by the second virial coefficient) of detergent micelles. This demonstrates that the use of a Mo-anode based in-house source is sufficient to determine basic geometric parameters and 3D shapes of biomolecules and presents a viable alternative to valuable beam time at third generation synchrotron sources

  5. A Mo-anode-based in-house source for small-angle X-ray scattering measurements of biological macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Bruetzel, Linda K.; Fischer, Stefan; Salditt, Annalena; Sedlak, Steffen M.; Nickel, Bert; Lipfert, Jan, E-mail: Jan.Lipfert@lmu.de [Department of Physics, Nanosystems Initiative Munich, and Center for Nanoscience, Ludwig-Maximilians-University Munich, Amalienstr. 54, 80799 Munich, Germany and Geschwister-Scholl Platz 1, 80539 Munich (Germany)

    2016-02-15

    We demonstrate the use of a molybdenum-anode-based in-house small-angle X-ray scattering (SAXS) setup to study biological macromolecules in solution. Our system consists of a microfocus X-ray tube delivering a highly collimated flux of 2.5 × 10{sup 6} photons/s at a beam size of 1.2 × 1.2 mm{sup 2} at the collimation path exit and a maximum beam divergence of 0.16 mrad. The resulting observable scattering vectors q are in the range of 0.38 Å{sup −1} down to 0.009 Å{sup −1} in SAXS configuration and of 0.26 Å{sup −1} up to 5.7 Å{sup −1} in wide-angle X-ray scattering (WAXS) mode. To determine the capabilities of the instrument, we collected SAXS data on weakly scattering biological macromolecules including proteins and a nucleic acid sample with molecular weights varying from ∼12 to 69 kDa and concentrations of 1.5–24 mg/ml. The measured scattering data display a high signal-to-noise ratio up to q-values of ∼0.2 Å{sup −1} allowing for an accurate structural characterization of the samples. Moreover, the in-house source data are of sufficient quality to perform ab initio 3D structure reconstructions that are in excellent agreement with the available crystallographic structures. In addition, measurements for the detergent decyl-maltoside show that the setup can be used to determine the size, shape, and interactions (as characterized by the second virial coefficient) of detergent micelles. This demonstrates that the use of a Mo-anode based in-house source is sufficient to determine basic geometric parameters and 3D shapes of biomolecules and presents a viable alternative to valuable beam time at third generation synchrotron sources.

  6. Systematic Limitations in Concentration Analysis via Anomalous Small-Angle X-ray Scattering in the Small Structure Limit

    OpenAIRE

    Guenter Goerigk; Sebastian Lages; Klaus Huber

    2016-01-01

    Anomalous small angle scattering measurements have been applied to diluted solutions of anionic polyacrylates decorated by specifically-interacting Pb2+ cations, revealing partial collapse of the polyacrylate into pearl-like subdomains with a size on the order of a few nanometers. From the pure-resonant scattering contribution of the Pb2+ cations, and from subsequent analysis of the resonant-invariant, the amount of Pb2+ cations condensed onto the polyanions with respect to the total amount o...

  7. Gas gain operations with single photon resolution using an integrating ionization chamber in small-angle X-ray scattering experiments

    CERN Document Server

    Menk, R H; Besch, H J; Walenta, Albert H; Amenitsch, H; Bernstorff, S

    2000-01-01

    In this work a combination of an ionization chamber with one-dimensional spatial resolution and a MicroCAT structure will be presented. Initially, MicroCAT was thought of as a shielding grid (Frisch-grid) but later was used as an active electron amplification device that enables single X-ray photon resolution measurements at low fluxes even with integrating readout electronics. Moreover, the adjustable gas gain that continuously covers the entire range from pure ionization chamber mode up to high gas gains (30000 and more) provides stable operation yielding a huge dynamic range of about 10 sup 8 and more. First measurements on biological samples using small angle X-ray scattering techniques with synchrotron radiation will be presented.

  8. Gas gain operations with single photon resolution using an integrating ionization chamber in small-angle X-ray scattering experiments

    Energy Technology Data Exchange (ETDEWEB)

    Menk, R.H. E-mail: ralf.menk@elettra.trieste.it; Sarvestani, A. E-mail: sarvestani@alwa02.physik.uni-siegen.de; Besch, H.J.; Walenta, A.H.; Amenitsch, H.; Bernstorff, S

    2000-01-21

    In this work a combination of an ionization chamber with one-dimensional spatial resolution and a MicroCAT structure will be presented. Initially, MicroCAT was thought of as a shielding grid (Frisch-grid) but later was used as an active electron amplification device that enables single X-ray photon resolution measurements at low fluxes even with integrating readout electronics. Moreover, the adjustable gas gain that continuously covers the entire range from pure ionization chamber mode up to high gas gains (30000 and more) provides stable operation yielding a huge dynamic range of about 10{sup 8} and more. First measurements on biological samples using small angle X-ray scattering techniques with synchrotron radiation will be presented.

  9. Gas gain operations with single photon resolution using an integrating ionization chamber in small-angle X-ray scattering experiments

    Science.gov (United States)

    Menk, R. H.; Sarvestani, A.; Besch, H. J.; Walenta, A. H.; Amenitsch, H.; Bernstorff, S.

    2000-01-01

    In this work a combination of an ionization chamber with one-dimensional spatial resolution and a MicroCAT structure will be presented. Initially, MicroCAT was thought of as a shielding grid (Frisch-grid) but later was used as an active electron amplification device that enables single X-ray photon resolution measurements at low fluxes even with integrating readout electronics. Moreover, the adjustable gas gain that continuously covers the entire range from pure ionization chamber mode up to high gas gains (30 000 and more) provides stable operation yielding a huge dynamic range of about 10 8 and more. First measurements on biological samples using small angle X-ray scattering techniques with synchrotron radiation will be presented.

  10. Scattered X-ray beam nondestructive testing

    Science.gov (United States)

    Harding, G.; Kosanetzky, J.

    1989-08-01

    X-ray scatter interactions generally dominate the linear attenuation coefficient at the photon energies typical of medical and industrial radiography. Specific advantages of X-ray scatter imaging, including a flexible choice of measurement geometry, direct 3D-imaging capability (tomography) and improved information for material characterization, are illustrated with results from Compton and coherent scatter devices. Applications of a Compton backscatter scanner (ComScan) in the aerospace industry and coherent scatter imaging in security screening are briefly considered.

  11. Salt Dependence of the Radius of Gyration and Flexibility of Single-stranded DNA in Solution probed by Small-angle X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Sim, Adelene Y.L.; Lipfert, Jan; Herschlag, Daniel; Doniach, Sebastian

    2012-07-06

    Short single-stranded nucleic acids are ubiquitous in biological processes and understanding their physical properties provides insights to nucleic acid folding and dynamics. We used small angle x-ray scattering to study 8-100 residue homopolymeric single-stranded DNAs in solution, without external forces or labeling probes. Poly-T's structural ensemble changes with increasing ionic strength in a manner consistent with a polyelectrolyte persistence length theory that accounts for molecular flexibility. For any number of residues, poly-A is consistently more elongated than poly-T, likely due to the tendency of A residues to form stronger base-stacking interactions than T residues.

  12. Small-angle x-ray scattering and differential scanning calorimetry studies of DPPC multilamellar structures containing membranotropic agents of different chemical nature

    International Nuclear Information System (INIS)

    Multilamellar structures formed in DPPC/water/glycerol and DPPC/water/oxyethylated glycerol systems are studied by small-angle X-ray scattering (SAXS) and differential scanning calorimetry (DSC) methods. The effects of glycerol, oxyethylated glycerol, and other membranotropic agents (MTAs) on the lamellar repeat distance D are compared in gel, ripple, and high-temperature (Lα) liquid crystal phases of the hydrated phospholipids. It is noted that the introduction of MTAs could lead to different types of 'D vs. temperature' behavior in the Lα phase, which is correlated with changes in D caused by the introduction of these substances to the DPPC/water reference system

  13. Increasing correlation length in bulk supercooled H2O, D2O, and NaCl solution determined from small angle x-ray scattering

    OpenAIRE

    Huang, Congcong; Weiss, T M; Nordlund, D.; Wikfeldt, K. T.; Pettersson, L. G. M.; Nilsson, A.

    2010-01-01

    Using small angle x-ray scattering, we find that the correlation length of bulk liquid water shows a steep increase as temperature decreases at subzero temperatures (supercooling) and that it can, similar to the thermodynamic response functions, be fitted to a power law. This indicates that the anomalous properties of water are attributable to fluctuations between low- and high-density regions with rapidly growing average size upon supercooling. The substitution of H2O with D2O, as well as th...

  14. Trends in anomalous small-angle X-ray scattering in grazing incidence for supported nano-alloyed and core-shell metallic nano-particles

    International Nuclear Information System (INIS)

    As atomic structure and morphology of particles are directly correlated to their functional properties, experimental methods probing local and average features of particles at the nano-scale elicit a growing interest. Anomalous small-angle X-ray scattering (ASAXS) is a very attractive technique to investigate the size, shape and spatial distribution of nano-objects embedded in a homogeneous matrix or in porous media. The anomalous variation of the scattering factor close to an absorption edge enables element specific investigations. In the case of supported nano-objects, the use of grazing incidence is necessary to limit the probed depth. The combination of grazing incidence with the anomalous technique provides a powerful new method, anomalous grazing incidence small-angle X-ray scattering (AGISAXS), to disentangle complex chemical patterns in supported multi-component nano-structures. Nevertheless, a proper data analysis requires accurate quantitative measurements associated to an adapted theoretical framework. This paper presents anomalous methods applied to nano-alloys phase separation in the 1-10 nm size range, and focuses on the application of AGISAXS in bimetallic systems: nano-composite films and core-shell supported nano-particles

  15. GENFIT: software for the analysis of small-angle X-ray and neutron scattering data of macro­molecules in solution

    Science.gov (United States)

    Spinozzi, Francesco; Ferrero, Claudio; Ortore, Maria Grazia; De Maria Antolinos, Alejandro; Mariani, Paolo

    2014-01-01

    Many research topics in the fields of condensed matter and the life sciences are based on small-angle X-ray and neutron scattering techniques. With the current rapid progress in source brilliance and detector technology, high data fluxes of ever-increasing quality are produced. In order to exploit such a huge quantity of data and richness of information, wider and more sophisticated approaches to data analysis are needed. Presented here is GENFIT, a new software tool able to fit small-angle scattering data of randomly oriented macromolecular or nanosized systems according to a wide list of models, including form and structure factors. Batches of curves can be analysed simultaneously in terms of common fitting parameters or by expressing the model parameters via physical or phenomenological link functions. The models can also be combined, enabling the user to describe complex heterogeneous systems. PMID:24904247

  16. GENFIT: software for the analysis of small-angle X-ray and neutron scattering data of macro-molecules in solution.

    Science.gov (United States)

    Spinozzi, Francesco; Ferrero, Claudio; Ortore, Maria Grazia; De Maria Antolinos, Alejandro; Mariani, Paolo

    2014-06-01

    Many research topics in the fields of condensed matter and the life sciences are based on small-angle X-ray and neutron scattering techniques. With the current rapid progress in source brilliance and detector technology, high data fluxes of ever-increasing quality are produced. In order to exploit such a huge quantity of data and richness of information, wider and more sophisticated approaches to data analysis are needed. Presented here is GENFIT, a new software tool able to fit small-angle scattering data of randomly oriented macromolecular or nanosized systems according to a wide list of models, including form and structure factors. Batches of curves can be analysed simultaneously in terms of common fitting parameters or by expressing the model parameters via physical or phenomenological link functions. The models can also be combined, enabling the user to describe complex heterogeneous systems.

  17. In-Situ Small-Angle X-Ray Scattering Study of Simple Shear Oriented Poly(ethylene Terephthalate) during Heating

    Science.gov (United States)

    Wang, Zhigang; Xia, Zhiyong; Hsiao, Benjamin; Sue, Hj; Han, Charles

    2002-03-01

    An equal channel angular extrusion (ECAE) process was used to prepare poly(ethylene terephthalate) samples with segmental lamellar orientations. In-situ small-angle X-ray scattering measurements were carried out to follow the structure changes during heating of sections of equal-channel-angular-extruded PET samples before and after the transition line. The total scattering power, fractions of anisotropic and isotropic scattering, orientation factors and long periods along the flow directions were obtained. The changes in these parameters revealed the processes of lamellar relaxation, recrystallization and melting during heating in specimens of different orientation and morphology. Acknowledgements. The financial support of this work is provided by a grant from NIST and NSF (DMR 0098104). The Advanced Polymers Beamline is supported by DOE (DE-FG02-99ER 45760).

  18. Growth Kinetics of Nanocrystals and Nanorods by Employing Small-angle. X-ray Scattering (SAXS) and Other Techniques

    Institute of Scientific and Technical Information of China (English)

    Kanishka BISWAS; Neenu VARGHESE; C.N.R.Rao

    2008-01-01

    In this article, we report the results of our detailed investigations of the growth kinetics of zero-dimensional nanocrystals as well as one-dimensional nanorods by the combined use of small angel X-ray scattering (SAXS), transmissipon electron microscopy (TEM) along with other physical techniques. The study includes growth kinetics of gold nanocrystals formed by the reduction of HAuCl4 by tetrakis(hydroxymethyl) phosphonium chloride in aqueous solution, of CdSe nanocrystals formed by the reaction of cadmium stearate and selenium under solvothermal conditions, and of ZnO nanorods formed by the reaction of zinc acetate with sodium hydroxide under solvothermal conditions in the absence and presence of capping agents. The growth of gold nanocrystals does not follow the diffusion-limited Ostwald ripening, and instead follows a Sigmoidal rate curve. The heat change associated with the growth determined by isothermal titration calorimetry is about 10 kcal·mol-1 per 1 nm increase in the diameter of the nanocrystals. In the case of CdSe nanocrystals also, the growth mechanism deviates from diffusion-limited growth and follows a combined model containing both diffusion and surface reaction terms. Our study of the growth kinetics of uncapped and poly(vinyl pyrollidone) (PVP)-capped ZnO nanorods has yielded interesting insights. We observe small nanocrystals next to the ZnO nanorods after a lapse of time in addition to periodic focusing and defocusing of the width of the length distribution. These observations lend support to the diffusion-limited growth model for the growth of uncapped ZnO nanorods. Accordingly, the time dependence on the length of uncapped nanorods follows the L3 law as required for diffusion-limited Ostwald ripening. The PVP-capped nanorods, however, show a time dependence, which is best described by a combination of diffusion (L3) and surface reaction (L2) terms.

  19. Resonant X-Ray Scattering and Absorption

    Science.gov (United States)

    Collins, S. P.; Bombardi, A.

    This chapter outlines some of the basic ideas behind nonresonant and resonant X-ray scattering, using classical or semiclassical pictures wherever possible; specifically, we highlight symmetry arguments governing the observation of X-ray optical effects, such as X-ray magnetic circular dichroism and resonant "forbidden" diffraction. Without dwelling on the microscopic physics that underlies resonant scattering, we outline some key steps required for calculating its rotation and polarization dependence, based on Cartesian and spherical tensor frameworks. Several examples of resonant scattering, involving electronic anisotropy and magnetism, are given as illustrations. Our goal is not to develop or defend theoretical concepts in X-ray scattering, but to bring together existing ideas in a pragmatic and utilitarian manner.

  20. In-situ study of precipitates in Al–Zn–Mg–Cu alloys using anomalous small-angle x-ray scattering

    Science.gov (United States)

    Chun-Ming, Yang; Feng-Gang, Bian; Bai-Qing, Xiong; Dong-Mei, Liu; Yi-Wen, Li; Wen-Qiang, Hua; Jie, Wang

    2016-06-01

    In the present work, the precipitate compositions and precipitate amounts of these elements (including the size distribution, volume fraction, and inter-precipitate distance) on the Cu-containing 7000 series aluminum alloys (7150 and 7085 Al alloys), are investigated by anomalous small-angle x-ray scattering (ASAXS) at various energies. The scattering intensity of 7150 alloy with T6 aging treatment decreases as the incident x-ray energy approaches the Zn absorption edge from the lower energy side, while scattering intensity does not show a noticeable energy dependence near the Cu absorption edge. Similar results are observed in the 7085 alloy in an aging process (120 °C) by employing in-situ ASAXS measurements, indicating that the precipitate compositions should include Zn element and should not be strongly related to Cu element at the early stage after 10 min. In the aging process, the precipitate particles with an initial average size of ∼ 8 Å increase with aging time at an energy of 9.60 keV, while the increase with a slower rate is observed at an energy of 9.65 keV as near the Zn absorption edge. Project supported by the National Natural Science Foundation of China (Grant Nos. 11005143, 11405259, and 51274046) and the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry of China (Grant No. [2014]1685).

  1. Magnetic-field-dependent assembly of silica-coated magnetite nanoclusters probed by Ultra-Small-Angle X-ray Scattering (USAXS)

    Energy Technology Data Exchange (ETDEWEB)

    Malik, Vikash [Physics Department, University of Wisconsin Milwaukee, 1900 E. Kenwood Blvd., Milwaukee, WI 53211 (United States); Suthar, Kamleshkumar J. [Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439 (United States); Mancini, Derrick C. [Physical Sciences and Engineering, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439 (United States); Ilavsky, Jan, E-mail: ilavsky@aps.anl.gov [Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439 (United States)

    2014-03-15

    Colloidal suspension of the silica coated magnetic nanoclusters (MNCs) was used to study the magnetic field mediated assembly of magnetic nanoparticles. The spatial arrangement of these MNCs in colloidal suspension was studied using the ultra-small-angle X-ray scattering (USAXS) technique with magnetic field applied in directions orthogonal and parallel to the scattering vector. In situ magnetic field analysis of the USAXS scattering measurement showed anisotropic behavior that can be attributed to the formation of colloidal crystals. During magnetization, the clustered magnetic core induces a large dipole moment, and the thickness of the silica shell helps keep distance between the neighboring particles. The assembly of these hybrid nanostructured particles was found to be dependent on the strength and orientation of this external magnetic field. The dipolar chains formed of MNCs arranged themselves into colloidal crystals formed by two-dimensional magnetic sheets. The structure factor calculations suggested that the lattice parameters of these colloidal crystals can be tuned by changing the strength of the external magnetic field. These experiments shed light on the stimuli-responsive assembly of magnetic colloidal nanoparticles that leads to the creation of tunable photonic crystals. - Highlights: • In situ analysis of Magnetically tunable colloidal nanocluster using Ultra Small Angle X-ray Scattering (USAXS) under uniform magnetic field. • The colloidal super-lattice structure was analyzed in magnetic field along the direction parallel and perpendicular to scattering vector. • Structure factors were extracted by subtracting form factor from the USAXS data using Irena software tool. • The observed super-lattice structural spacing can be tuned by extent of the strength of external magnetic field. • The structure factor calculations showed that the colloidal crystal has the hexagonal packing.

  2. Systematic Limitations in Concentration Analysis via Anomalous Small-Angle X-ray Scattering in the Small Structure Limit

    Directory of Open Access Journals (Sweden)

    Guenter Goerigk

    2016-03-01

    Full Text Available Anomalous small angle scattering measurements have been applied to diluted solutions of anionic polyacrylates decorated by specifically-interacting Pb2+ cations, revealing partial collapse of the polyacrylate into pearl-like subdomains with a size on the order of a few nanometers. From the pure-resonant scattering contribution of the Pb2+ cations, and from subsequent analysis of the resonant-invariant, the amount of Pb2+ cations condensed onto the polyanions with respect to the total amount of Pb2+ cations in the solvent was estimated. In order to scrutinize systematic limitations in the determination of the chemical concentrations of resonant scattering counterions in the collapsed phase, Monte Carlo simulations have been performed. The simulations are based on structural confinements at variable size in the range of few nanometers, which represent the collapsed subdomains in the polyanions. These confinements were gradually filled to a high degree of the volume fraction with resonant scattering counterions giving access to a resonant-invariant at a variable degree of filling. The simulations revealed in the limit of small structures a significant underestimation of the true degree of filling of the collapsed subdomains when determining chemical concentrations of Pb2+ cations from the resonant invariant.

  3. Investigation of the topological shape of bovine serum albumin in solution by small-angle x-ray scattering at Beijing synchrotron radiation facility

    International Nuclear Information System (INIS)

    This paper reports that at a newly constructed small-angle x-ray scattering station of Beijing Synchrotron Radiation Facility, the topological shape of ligand-free bovine serum albumin in solution has been investigated. An appropriate scattering curve is obtained and the calculated value of the gyration radius is 31.2ű0.25A (1Å=0.1 nm) which is coincident with other ones' results. It finds that the low-resolution structure models obtained by making use of ab initio reconstruction methods are fitting the crystal structure of human serum albumin very well. All of these results perform the potential of the beamline to apply to structural biology studies. The characteristics, the defects, and the improving measures of the station in future are also discussed. (condensed matter: structure, thermal and mechanical properties)

  4. Guanosine Quadruplexes in Solution: A Small-Angle X-Ray Scattering Analysis of Temperature Effects on Self-Assembling of Deoxyguanosine Monophosphate

    Directory of Open Access Journals (Sweden)

    P. Mariani

    2010-01-01

    Full Text Available We investigated quadruplex formation in aqueous solutions of 2′-deoxyriboguanosine 5′-monophosphate, d(pG, which takes place in the absence of the covalent axial backbone. A series of in-solution small angle X-ray scattering experiments on d(pG have been performed as a function of temperature in the absence of excess salt, at a concentration just above the critical one at which self-assembling occurs. A global fit approach has been used to derive composition and size distribution of the scattering particles as a function of temperature. The obtained results give thermodynamical justification for the observed phase-behavior, indicating that octamer formation is essential for quadruplex elongation. Our investigation shows that d(pG quadruplexes are very suitable to assess the potential of G-quadruplex formation and to study the self-assembling thermodynamics.

  5. Note: Comparison of grazing incidence small angle x-ray scattering of a titania sponge structure at the beamlines BW4 (DORIS III) and P03 (PETRA III)

    Energy Technology Data Exchange (ETDEWEB)

    Rawolle, M.; Koerstgens, V.; Ruderer, M. A.; Metwalli, E.; Guo, S.; Mueller-Buschbaum, P. [Lehrstuhl fuer Funktionelle Materialien, Physik-Department, Technische Universitaet Muenchen, James-Franck-Str. 1, 85748 Garching (Germany); Herzog, G.; Benecke, G.; Schwartzkopf, M.; Buffet, A.; Perlich, J.; Roth, S. V. [HASYLAB at DESY, Notkestr. 85, 22607 Hamburg (Germany)

    2012-10-15

    Grazing incidence small angle x-ray scattering (GISAXS) is a powerful technique for morphology investigation of nanostructured thin films. GISAXS measurements at the newly installed P03 beamline at the storage ring PETRA III in Hamburg, Germany, are compared to the GISAXS data from the beamline BW4 at the storage ring DORIS III, which had been used extensively for GISAXS investigations in the past. As an example, a titania thin film sponge structure is investigated. Compared to BW4, at beamline P03 the resolution of larger structures is slightly improved and a higher incident flux leads to a factor of 750 in scattered intensity. Therefore, the acquisition time in GISAXS geometry is reduced significantly at beamline P03.

  6. Note: An X-ray powder diffractometer with a wide scattering-angle range of 72° using asymmetrically positioned one-dimensional detectors

    Science.gov (United States)

    Katsuya, Yoshio; Song, Chulho; Tanaka, Masahiko; Ito, Kimihiko; Kubo, Yoshimi; Sakata, Osami

    2016-01-01

    An X-ray powder diffractometer has been developed for a time-resolved measurement without the requirement of a scattering angle (2θ) scan. Six one-dimensional detector modules are asymmetrically arranged in a vertical line at a designed distance of 286.5 mm. A detector module actually covers a diffraction angle of about 12° with an angular resolution of 0.01°. A diffracted intensity pattern is simultaneously recorded in a 2θ angular range from 1.63° to 74.37° in a "one shot" measurement. We tested the performance of the diffractometer with reference CeO2 powders and demonstrated diffraction measurements from an operating lithium-air battery.

  7. Note: An X-ray powder diffractometer with a wide scattering-angle range of 72° using asymmetrically positioned one-dimensional detectors

    Energy Technology Data Exchange (ETDEWEB)

    Katsuya, Yoshio; Tanaka, Masahiko [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science (NIMS), 1-1-1 Kouto, Sayo, Hyogo 679-5148 (Japan); Song, Chulho [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science (NIMS), 1-1-1 Kouto, Sayo, Hyogo 679-5148 (Japan); Global Research Center for Environment and Energy based Nanomaterials Science (GREEN), Lithium Air Battery Specially Promoted Research Team, NIMS, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Ito, Kimihiko; Kubo, Yoshimi [Global Research Center for Environment and Energy based Nanomaterials Science (GREEN), Lithium Air Battery Specially Promoted Research Team, NIMS, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science (NIMS), 1-1-1 Kouto, Sayo, Hyogo 679-5148 (Japan); Global Research Center for Environment and Energy based Nanomaterials Science (GREEN), Lithium Air Battery Specially Promoted Research Team, NIMS, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Synchrotron X-ray Group, Quantum Beam Unit, NIMS, 1-1-1 Kouto, Sayo, Hyogo 679-5148 (Japan)

    2016-01-15

    An X-ray powder diffractometer has been developed for a time-resolved measurement without the requirement of a scattering angle (2θ) scan. Six one-dimensional detector modules are asymmetrically arranged in a vertical line at a designed distance of 286.5 mm. A detector module actually covers a diffraction angle of about 12° with an angular resolution of 0.01°. A diffracted intensity pattern is simultaneously recorded in a 2θ angular range from 1.63° to 74.37° in a “one shot” measurement. We tested the performance of the diffractometer with reference CeO{sub 2} powders and demonstrated diffraction measurements from an operating lithium-air battery.

  8. Note: An X-ray powder diffractometer with a wide scattering-angle range of 72° using asymmetrically positioned one-dimensional detectors

    International Nuclear Information System (INIS)

    An X-ray powder diffractometer has been developed for a time-resolved measurement without the requirement of a scattering angle (2θ) scan. Six one-dimensional detector modules are asymmetrically arranged in a vertical line at a designed distance of 286.5 mm. A detector module actually covers a diffraction angle of about 12° with an angular resolution of 0.01°. A diffracted intensity pattern is simultaneously recorded in a 2θ angular range from 1.63° to 74.37° in a “one shot” measurement. We tested the performance of the diffractometer with reference CeO2 powders and demonstrated diffraction measurements from an operating lithium-air battery

  9. Structural characterization of the phospholipid stabilizer layer at the solid-liquid interface of dispersed triglyceride nanocrystals with small-angle x-ray and neutron scattering

    Science.gov (United States)

    Schmiele, Martin; Schindler, Torben; Unruh, Tobias; Busch, Sebastian; Morhenn, Humphrey; Westermann, Martin; Steiniger, Frank; Radulescu, Aurel; Lindner, Peter; Schweins, Ralf; Boesecke, Peter

    2013-06-01

    Dispersions of crystalline nanoparticles with at least one sufficiently large unit cell dimension can give rise to Bragg reflections in the small-angle scattering range. If the nanocrystals possess only a small number of unit cells along these particular crystallographic directions, the corresponding Bragg reflections will be broadened. In a previous study of phospholipid stabilized dispersions of β-tripalmitin platelets [Unruh, J. Appl. Crystallogr.JACGAR0021-889810.1107/S0021889807044378 40, 1008 (2007)], the x-ray powder pattern simulation analysis (XPPSA) was developed. The XPPSA method facilitates the interpretation of the rather complicated small-angle x-ray scattering (SAXS) curves of such dispersions of nanocrystals. The XPPSA method yields the distribution function of the platelet thicknesses and facilitates a structural characterization of the phospholipid stabilizer layer at the solid-liquid interface between the nanocrystals and the dispersion medium from the shape of the broadened 001 Bragg reflection. In this contribution an improved and extended version of the XPPSA method is presented. The SAXS and small-angle neutron scattering patterns of dilute phospholipid stabilized tripalmitin dispersions can be reproduced on the basis of a consistent simulation model for the particles and their phospholipid stabilizer layer on an absolute scale. The results indicate a surprisingly flat arrangement of the phospholipid molecules in the stabilizer layer with a total thickness of only 12 Å. The stabilizer layer can be modeled by an inner shell for the fatty acid chains and an outer shell including the head groups and additional water. The experiments support a dense packing of the phospholipid molecules on the nanocrystal surfaces rather than isolated phospholipid domains.

  10. Inelastic magnetic X-ray scattering

    Science.gov (United States)

    Platzman, P. M.; Tzoar, N.

    1985-04-01

    The theory of magnetic X-ray scattering is used to discuss the possibilities for employing inelastic scattering to probe the magnetic properties of condensed matter systems. In particular, it is shown how the interference between the nonmagnetic (Compton) and magnetic scattering arising from the use of circularly polarized X-rays is absolutely essential in such experiments. The very beautiful preliminary experiments by Sakai and Ono (1976) on Fe which use circularly polarized Moessbauer gamma-rays will be discussed. They already show the sensitivity of the technique to the 'magnetic form factor'. In addition, the physics of a unique quarter wave plate employed in obtaining circularly polarized X-rays is considered, and the implications of this advance for doing such experiments on existing synchrotron X-ray sources are discussed.

  11. An Optimized Table-Top Small-Angle X-ray Scattering Set-up for the Nanoscale Structural Analysis of Soft Matter

    KAUST Repository

    Sibillano, T.

    2014-11-10

    The paper shows how a table top superbright microfocus laboratory X-ray source and an innovative restoring-data algorithm, used in combination, allow to analyze the super molecular structure of soft matter by means of Small Angle X-ray Scattering ex-situ experiments. The proposed theoretical approach is aimed to restore diffraction features from SAXS profiles collected from low scattering biomaterials or soft tissues, and therefore to deal with extremely noisy diffraction SAXS profiles/maps. As biological test cases we inspected: i) residues of exosomes\\' drops from healthy epithelial colon cell line and colorectal cancer cells; ii) collagen/human elastin artificial scaffolds developed for vascular tissue engineering applications; iii) apoferritin protein in solution. Our results show how this combination can provide morphological/structural nanoscale information to characterize new artificial biomaterials and/or to get insight into the transition between healthy and pathological tissues during the progression of a disease, or to morphologically characterize nanoscale proteins, based on SAXS data collected in a room-sized laboratory.

  12. An Optimized Table-Top Small-Angle X-ray Scattering Set-up for the Nanoscale Structural Analysis of Soft Matter

    Science.gov (United States)

    Sibillano, T.; de Caro, L.; Altamura, D.; Siliqi, D.; Ramella, M.; Boccafoschi, F.; Ciasca, G.; Campi, G.; Tirinato, L.; di Fabrizio, E.; Giannini, C.

    2014-11-01

    The paper shows how a table top superbright microfocus laboratory X-ray source and an innovative restoring-data algorithm, used in combination, allow to analyze the super molecular structure of soft matter by means of Small Angle X-ray Scattering ex-situ experiments. The proposed theoretical approach is aimed to restore diffraction features from SAXS profiles collected from low scattering biomaterials or soft tissues, and therefore to deal with extremely noisy diffraction SAXS profiles/maps. As biological test cases we inspected: i) residues of exosomes' drops from healthy epithelial colon cell line and colorectal cancer cells; ii) collagen/human elastin artificial scaffolds developed for vascular tissue engineering applications; iii) apoferritin protein in solution. Our results show how this combination can provide morphological/structural nanoscale information to characterize new artificial biomaterials and/or to get insight into the transition between healthy and pathological tissues during the progression of a disease, or to morphologically characterize nanoscale proteins, based on SAXS data collected in a room-sized laboratory.

  13. Nonlinear X-ray Compton Scattering

    CERN Document Server

    Fuchs, Matthias; Chen, Jian; Ghimire, Shambhu; Shwartz, Sharon; Kozina, Michael; Jiang, Mason; Henighan, Thomas; Bray, Crystal; Ndabashimiye, Georges; Bucksbaum, P H; Feng, Yiping; Herrmann, Sven; Carini, Gabriella; Pines, Jack; Hart, Philip; Kenney, Christopher; Guillet, Serge; Boutet, Sebastien; Williams, Garth; Messerschmidt, Marc; Seibert, Marvin; Moeller, Stefan; Hastings, Jerome B; Reis, David A

    2015-01-01

    X-ray scattering is a weak linear probe of matter. It is primarily sensitive to the position of electrons and their momentum distribution. Elastic X-ray scattering forms the basis of atomic structural determination while inelastic Compton scattering is often used as a spectroscopic probe of both single-particle excitations and collective modes. X-ray free-electron lasers (XFELs) are unique tools for studying matter on its natural time and length scales due to their bright and coherent ultrashort pulses. However, in the focus of an XFEL the assumption of a weak linear probe breaks down, and nonlinear light-matter interactions can become ubiquitous. The field can be sufficiently high that even non-resonant multiphoton interactions at hard X-rays wavelengths become relevant. Here we report the observation of one of the most fundamental nonlinear X-ray-matter interactions, the simultaneous Compton scattering of two identical photons producing a single photon at nearly twice the photon energy. We measure scattered...

  14. Weak self-interactions of globular proteins studied by small-angle X-ray scattering and structure-based modeling

    CERN Document Server

    Kaieda, Shuji; Plivelic, Tomás S; Halle, Bertil

    2014-01-01

    We investigate protein-protein interactions in solution by small-angle X-ray scattering (SAXS) and theoretical modeling. The structure factor for solutions of bovine pancreatic trypsin inhibitor (BPTI), myoglobin (Mb), and intestinal fatty acid-binding protein (IFABP) is determined from SAXS measurements at multiple concentrations, from Monte Carlo simulations with a coarse-grained structure-based interaction model, and from analytic approximate solutions of two idealized colloidal interaction models without adjustable parameters. By combining these approaches, we find that the structure factor is essentially determined by hard-core and screened electrostatic interactions. Other soft short-ranged interactions (van der Waals and solvation-related) are either individually insignificant or tend to cancel out. The structure factor is also not significantly affected by charge fluctuations. For Mb and IFABP, with small net charge and relatively symmetric charge distribution, the structure factor is well described b...

  15. Effects of detergents on the oligomeric structures of hemolytic lectin CEL-III as determined by small-angle X-ray scattering.

    Science.gov (United States)

    Goda, Shuichiro; Sadakata, Hitoshi; Unno, Hideaki; Hatakeyama, Tomomitsu

    2013-01-01

    Hemolytic lectin CEL-III isolated from the sea cucumber Cucumaria echinata forms transmembrane pores by self-oligomerization in target cell membranes. It also formed soluble oligomers in aqueous solution upon binding with specific carbohydrates under conditions of high pH and a high salt concentration. The size of the soluble CEL-III oligomers decreased when treated with detergents such as Triton X-100 and SDS. Small-angle X-ray scattering measurements suggested that the dissociated unit of the oligomer was a tightly associated CEL-III heptamer. Without detergents in solution, these heptamers further assembled into larger 21mer oligomers, comprising three heptamers held together by relatively weak hydrophobic interactions. PMID:23470749

  16. Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility

    International Nuclear Information System (INIS)

    The calculation for the optics of the synchrotron radiation small and wide angle x-ray scattering beamline, currently under construction at SESAME is described. This beamline is based on a cylindrically bent germanium (111) single crystal with an asymmetric cut of 10.5 deg., followed by a 1.2 m long rhodium coated plane mirror bent into a cylindrical form. The focusing properties of bent asymmetrically cut crystals have not yet been studied in depth. The present paper is devoted to study of a particular application of a bent asymmetrically cut crystal using ray tracing simulations with the SHADOW code. These simulations show that photon fluxes of order of 1.09x1011 photons/s will be available at the experimental focus at 8.79 keV. The focused beam dimensions will be 2.2 mm horizontal full width at half maximum (FWHM) by 0.12 mm vertical (FWHM).

  17. BioXTAS RAW, a software program for high-throughput automated small-angle X-ray scattering data reduction and preliminary analysis

    DEFF Research Database (Denmark)

    Nielsen, S.S.; Toft, K.N.; Snakenborg, Detlef;

    2009-01-01

    A fully open source software program for automated two-dimensional and one-dimensional data reduction and preliminary analysis of isotropic small-angle X-ray scattering (SAXS) data is presented. The program is freely distributed, following the open-source philosophy, and does not rely on any...... commercial software packages. BioXTAS RAW is a fully automated program that, via an online feature, reads raw two-dimensional SAXS detector output files and processes and plots data as the data files are created during measurement sessions. The software handles all steps in the data reduction. This includes......-format input files and is currently compatible with one-dimensional data files from SAXS beamlines at a number of synchrotron facilities. BioXTAS RAW is written in Python with C++ extensions....

  18. Solution small-angle x-ray scattering as a screening and predictive tool in the fabrication of asymmetric block copolymer membranes

    KAUST Repository

    Dorin, Rachel Mika

    2012-05-15

    Small-angle X-ray scattering (SAXS) analysis of the diblock copolymer poly(styrene-b-(4-vinyl)pyridine) in a ternary solvent system of 1,4-dioxane, tetrahydrofuran, and N,N-dimethylformamide, and the triblock terpolymer poly(isoprene-b-styrene-b-(4-vinyl)-pyridine) in a binary solvent system of 1,4-dioxane and tetrahydrofuran, reveals a concentration-dependent onset of ordered structure formation. Asymmetric membranes fabricated from casting solutions with polymer concentrations at or slightly below this ordering concentration possess selective layers with the desired nanostructure. In addition to rapidly screening possible polymer solution concentrations, solution SAXS analysis also predicts hexagonal and square pore lattices of the final membrane surface structure. These results suggest solution SAXS as a powerful tool for screening casting solution concentrations and predicting surface structure in the fabrication of asymmetric ultrafiltration membranes from self-assembled block copolymers. (Figure presented) © 2012 American Chemical Society.

  19. Variation of long periodicity in blends of styrene butadiene, styrene copolymer/polyaniline using small angle X-ray scattering data

    Indian Academy of Sciences (India)

    B G Soares; Fernando G Souza Jr; A Manjunath; H Somashekarappa; R Somashekar; Siddaramaiah

    2007-09-01

    Small angle X-ray scattering data have been recorded for the blends of styrene butadiene, styrene copolymer/polyaniline using the beamline of the LNLS (Laboratorio Nacional de Luz sincroton-Campinas, Brazil). Employing one-dimensional Hosemann's paracrystalline model, we have simulated the meridional reflections of these blends in order to compute the long periodicity and hence to find the variation with concentrations of the blends. Within the region of available experimental data we observe that there is a linear relationship between long periodicity and concentration of blends. These parameters are compared with physical measurements like tensile strength to find the structure–property relation in these blends.

  20. In situ study of the state of lysozyme molecules at the very early stage of the crystallization process by small-angle X-ray scattering

    Science.gov (United States)

    Marchenkova, M. A.; Volkov, V. V.; Blagov, A. E.; Dyakova, Yu. A.; Ilina, K. B.; Tereschenko, E. Yu.; Timofeev, V. I.; Pisarevsky, Yu. V.; Kovalchuk, M. V.

    2016-01-01

    The molecular state of hen egg white lysozyme in solution has been studied by small-angle X-ray scattering (SAXS) combined with molecular simulation. The addition of a precipitant is shown to change the state of the protein molecules in solution. The SAXS data were processed using the constructed models of different oligomers. Under the crystallization conditions, lysozyme is shown to be present in solution as monomers (96.0%), dimers (1.9%), and octamers (2.1%), whereas tetramers and hexamers are not found. The modeled structure of the octamer is not consistent with the commonly accepted unit cell containing eight lysozyme molecules. Meanwhile, the modeled octamers are well-fitted to the crystal structure and can serve as building blocks in the course of crystal growth.

  1. Flat-top silver nanocrystals on the two polar faces of ZnO: An all angle x-ray scattering investigation

    International Nuclear Information System (INIS)

    The growth of silver at room temperature on the two polar faces of ZnO (0001) Zn terminated and (0001) O terminated, has been investigated in situ by using grazing incidence x-ray diffraction and grazing incidence small angle x-ray scattering (GISAXS). On both surfaces, silver forms nanoclusters with (111) top facets in hexagon-on-hexagon epitaxy with [101]Ag parallel [100]ZnO. Despite the high lattice mismatch in the latter direction (-11%), the Ag islands adopt their bulk parameter even at the very beginning of the growth, a key feature assigned to a quasi-perfect coincidence of a 9x9 Ag cell on a 8x8 ZnO cell. The GISAXS patterns give evidence of triangular and hexagonal cluster shapes on the Zn and O surfaces, respectively, which reflect the topographies of the two surfaces. Quantitative analysis is performed to deduce the morphological parameters as a function of coverage. To represent highly covered surfaces involving large clusters with complex shapes, a specific GISAXS treatment in terms of holes in a continuous metal layer is proposed. In the O case, flat-top islands develop mostly laterally until an incompletely filled thick layer is formed. In the Zn case, the islands grow both in height and in diameter until the film can be represented by a layer with holes. The derived growth parameters attest that silver spreads significantly better on the O-terminated face than on the Zn termination

  2. Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus

    Energy Technology Data Exchange (ETDEWEB)

    Dhatwalia, Richa; Singh, Harkewal; Oppenheimer, Michelle; Karr, Dale B.; Nix, Jay C.; Sobrado, Pablo; Tanner, John J. (LBNL); (Missouri); (VPI)

    2015-10-15

    UDP-galactopyranose mutase (UGM) is a flavoenzyme that catalyzes the conversion of UDP-galactopyranose to UDP-galactofuranose, which is a central reaction in galactofuranose biosynthesis. Galactofuranose has never been found in humans but is an essential building block of the cell wall and extracellular matrix of many bacteria, fungi, and protozoa. The importance of UGM for the viability of many pathogens and its absence in humans make UGM a potential drug target. Here we report the first crystal structures and small-angle x-ray scattering data for UGM from the fungus Aspergillus fumigatus, the causative agent of aspergillosis. The structures reveal that Aspergillus UGM has several extra secondary and tertiary structural elements that are not found in bacterial UGMs yet are important for substrate recognition and oligomerization. Small-angle x-ray scattering data show that Aspergillus UGM forms a tetramer in solution, which is unprecedented for UGMs. The binding of UDP or the substrate induces profound conformational changes in the enzyme. Two loops on opposite sides of the active site move toward each other by over 10 {angstrom} to cover the substrate and create a closed active site. The degree of substrate-induced conformational change exceeds that of bacterial UGMs and is a direct consequence of the unique quaternary structure of Aspergillus UGM. Galactopyranose binds at the re face of the FAD isoalloxazine with the anomeric carbon atom poised for nucleophilic attack by the FAD N5 atom. The structural data provide new insight into substrate recognition and the catalytic mechanism and thus will aid inhibitor design.

  3. Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study

    Science.gov (United States)

    Goerigk, G.; Huber, K.; Schweins, R.

    2007-10-01

    The shrinking process of anionic sodium polyacrylate (NaPA) chains in aqueous solution induced by Sr2+ counterions was analyzed by anomalous small-angle x-ray scattering. Scattering experiments were performed close to the precipitation threshold of strontium polyacrylate. The pure-resonant scattering contribution, which is related to the structural distribution of the Sr2+ counterions, was used to analyze the extent of Sr2+ condensation onto the polyacrylate coils. A series of four samples with different ratios [Sr2+]/[NaPA] (between 0.451 and 0.464) has been investigated. From the quantitative analysis of the resonant invariant, the amount of Sr cations localized in the collapsed phase was calculated with concentrations v¯ between 0.94×1017 and 2.01×1017cm-3 corresponding to an amount of Sr cations in the collapsed phase between 9% and 23% of the total Sr2+ cations in solution. If compared to the concentration of polyacrylate expressed in moles of monomers [NaPA], a degree of site binding of r =[Sr2+]/[NaPA] between 0.05 and 0.11 was estimated. These values clearly differ from r =0.25, which was established from former light scattering experiments, indicating that the counterion condensation starts before the phase border is reached and increases rather sharply at the border.

  4. Glancing angle synchrotron X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cernik, R.J. [Daresbury Lab., Warrington, WA (United States)

    1996-09-01

    This paper describes in basic detail some of the techniques that can be used to study thin films and surfaces. These are all in the X-ray region and cover reflectivity, diffraction form polycrystalline films, textured films and single crystal films. Other effects such as fluorescence and diffuse scattering are mentioned but not discussed in detail. Two examples of the reflectivity from multilayers and the diffraction from iron oxide films are discussed. The advantages of the synchrotron for these studies is stressed and the experimental geometries that can be employed are described i detail. A brief bibliography is provided at the end to accompany this part of the 1996 Frascati school.

  5. A small angle X-ray scattering method to investigate the crack tip in metals. Final report of the Marie Curie individual fellowship project

    International Nuclear Information System (INIS)

    Structural materials, such as ferritic and austenitic steels or aluminium alloys used in the nuclear and aircraft industry, are subjected to external operational loads in different environments. Adopting a damage tolerant design principle, understanding the growth of preexisting or newly formed cracks under these conditions is of prime relevance to prevent extensive crack propagation and failure of the component. Within this framework, the characterization of early stages of the damage processes, as nucleation, growth and coalescence of micro-voids and the evolution of the spatial dislocation distribution (dislocation patterning) is a particularly challenging aspect. It was the objective of the work performed to investigate the damage structure near a crack tip by means of small angle X-ray scattering (SAXS). Pre-cracked fracture mechanics standard specimens from different aluminium alloys and steels were loaded up to different amounts of crack growth. From the crack tip range samples of 100 to 200 μm thickness were prepared and a small region around the crack tip was scanned using a microfocused Synchrotron beam. The SAXS experiments were performed at different Synchrotron sources and equipments with different beam cross section, scan step width and X-ray energy. Additionally, the investigation was completed by other methods like X-ray diffraction, X-ray imaging diffraction technique (MAXIM), transmission electron microscopy, scanning electron microscopy, and positron annihilation spectroscopy. The SAXS intensity pattern shows location-related effects. Potential SAXS parameters to characterize the damage are the integral intensity, a fractal dimension parameter and a value determined from the ratio of the intensity vertical and horizontal to the direction of crack growth. Above all, the last parameter is suitable to depict the damage zone around the crack tip. It is robust and applicable even for a material which exhibits an anisotropic SAXS pattern in the

  6. Characterization of the shape and line-edge roughness of polymer gratings with grazing incidence small-angle X-ray scattering and atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Suh, Hyo Seon; Chen, Xuanxuan; Rincon-Delgadillo, Paulina A.; Jiang, Zhang; Strzalka, Joseph; Wang, Jin; Chen, Wei; Gronheid, Roel; de Pablo, Juan J.; Ferrier, Nicola; Doxastakis, Manolis; Nealey, Paul F.

    2016-04-22

    Grazing-incidence small-angle X-ray scattering (GISAXS) is increasingly used for the metrology of substrate-supported nanoscale features and nanostructured films. In the case of line gratings, where long objects are arranged with a nanoscale periodicity perpendicular to the beam, a series of characteristic spots of high-intensity (grating truncation rods, GTRs) are recorded on a two-dimensional detector. The intensity of the GTRs is modulated by the three-dimensional shape and arrangement of the lines. Previous studies aimed to extract an average cross-sectional profile of the gratings, attributing intensity loss at GTRs to sample imperfections. Such imperfections are just as important as the average shape when employing soft polymer gratings which display significant line-edge roughness. Herein are reported a series of GISAXS measurements of polymer line gratings over a range of incident angles. Both an average shape and fluctuations contributing to the intensity in between the GTRs are extracted. The results are critically compared with atomic force microscopy (AFM) measurements, and it is found that the two methods are in good agreement if appropriate corrections for scattering from the substrate (GISAXS) and contributions from the probe shape (AFM) are accounted for.

  7. MgATP-induced conformational changes in the iron protein from Azotobacter vinelandii, as studied by small-angle x-ray scattering.

    Science.gov (United States)

    Chen, L; Gavini, N; Tsuruta, H; Eliezer, D; Burgess, B K; Doniach, S; Hodgson, K O

    1994-02-01

    Small angle x-ray scattering experiments have been carried out on the purified iron proteins of nitrogenase from wild-type Azotobacter vinelandii and from a Nif- mutant strain, A. vinelandii UW91 (which has an A157S mutation). This study was designed to investigate the influence of MgATP and MgADP binding on the protein structure in solution. For the wild-type protein, the binding of MgATP induces a significant conformational change that is observed as a decrease of about 2.0 A in the radius of gyration. In contrast, the binding of MgADP to the wild-type iron protein does not detectably affect the radius of gyration. In the absence of nucleotides, the radius of gyration for the UW91 mutant is indistinguishable from that of the wild-type. However, unlike for the wild-type protein, the radius of gyration of the UW91 iron protein is unaffected by the addition of MgATP. We have previously shown that the UW91 iron protein has a normal [4Fe-4S] cluster and MgATP binding ability but that it is completely blocked for electron transfer and MgATP hydrolysis (Gavini, N., and Burgess, B. K. (1992) J. Biol. Chem. 267, 21179-21186). These x-ray scattering measurements suggest that a conformation different from that of the native state is therefore required for the iron protein to perform electron transfer to the MoFe protein. These results also support the hypothesis that Ala-157 is crucial for the iron protein to establish the electron-transfer-favored conformation induced by MgATP binding. PMID:8106367

  8. Magnetic-field-dependent assembly of silica-coated magnetite nanoclusters probed by Ultra-Small-Angle X-ray Scattering (USAXS)

    Science.gov (United States)

    Malik, Vikash; Suthar, Kamleshkumar J.; Mancini, Derrick C.; Ilavsky, Jan

    2014-03-01

    Colloidal suspension of the silica coated magnetic nanoclusters (MNCs) was used to study the magnetic field mediated assembly of magnetic nanoparticles. The spatial arrangement of these MNCs in colloidal suspension was studied using the ultra-small-angle X-ray scattering (USAXS) technique with magnetic field applied in directions orthogonal and parallel to the scattering vector. In situ magnetic field analysis of the USAXS scattering measurement showed anisotropic behavior that can be attributed to the formation of colloidal crystals. During magnetization, the clustered magnetic core induces a large dipole moment, and the thickness of the silica shell helps keep distance between the neighboring particles. The assembly of these hybrid nanostructured particles was found to be dependent on the strength and orientation of this external magnetic field. The dipolar chains formed of MNCs arranged themselves into colloidal crystals formed by two-dimensional magnetic sheets. The structure factor calculations suggested that the lattice parameters of these colloidal crystals can be tuned by changing the strength of the external magnetic field. These experiments shed light on the stimuli-responsive assembly of magnetic colloidal nanoparticles that leads to the creation of tunable photonic crystals.

  9. Simulation of the shape of chaperonins using the small-angle x-ray scattering curves and torus form factor

    Energy Technology Data Exchange (ETDEWEB)

    Amarantov, S. V., E-mail: amarantov_s@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Naletova, I. N. [Moscow State University, Belozerskii Institute of Molecular Biology and Bioorganic Chemistry (Russian Federation); Kurochkina, L. P. [Russian Academy of Sciences, Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry (Russian Federation)

    2011-08-15

    The inverse scattering problem has been solved for protein complexes whose surfaces can be described by a set of the simplest doubly connected surfaces in the uniform approximation (a scattering potential inside the molecule is a constant). Solutions of two proteins-well-known GroEL bacterial chaperonin and poor-studied bacteriophage chaperonin, which is a product of 146 gene (gp146)-were taken for the experiment. The shapes of protein complexes have been efficiently reconstructed from the experimental scattering curves. The shell method, the method of the rotation of amino acid sequences with the use of the form factor of an amino acid, and the method of seeking the model parameters of a protein complex with the preliminarily obtained form factor of the model have been used to reconstruct the shape of these particles.

  10. Long-living intermediates during a lamellar to a diamond-cubic lipid phase transition: a small-angle X-ray scattering investigation.

    Science.gov (United States)

    Angelov, Borislav; Angelova, Angelina; Vainio, Ulla; Garamus, Vasil M; Lesieur, Sylviane; Willumeit, Regine; Couvreur, Patrick

    2009-04-01

    To generate nanostructured vehicles with tunable internal organization, the structural phase behavior of a self-assembled amphiphilic mixture involving poly(ethylene glycol) monooleate (MO-PEG) and glycerol monooleate (MO) is studied in excess aqueous medium by time-resolved small-angle X-ray scattering (SAXS) in the temperature range from 1 to 68 degrees C. The SAXS data indicate miscibility of the two components in lamellar and nonlamellar soft-matter nanostructures. The functionalization of the MO assemblies by a MO-PEG amphiphile, which has a flexible large hydrophilic moiety, appears to hinder the epitaxial growth of a double diamond (D) cubic lattice from the lamellar (L) bilayer structure during the thermal phase transition. The incorporated MO-PEG additive is found to facilitate the formation of structural intermediates. They exhibit greater characteristic spacings and large diffusive scattering in broad temperature and time intervals. Their features are compared with those of swollen long-living intermediates in MO/octylglucoside assemblies. A conclusion can be drawn that long-living intermediate states can be equilibrium stabilized in two- or multicomponent amphiphilic systems. Their role as cubic phase precursors is to smooth the structural distortions arising from curvature mismatch between flat and curved regions. The considered MO-PEG functionalized assemblies may be useful for preparation of sterically stabilized liquid-crystalline nanovehicles for confinement of therapeutic biomolecules. PMID:19708151

  11. Amorphous supramolecular structure of carboxymethyl cellulose in aqueous solution at different pH values as determined by rheology, small angle X-ray and light scattering.

    Science.gov (United States)

    Dogsa, Iztok; Tomšič, Matija; Orehek, Janez; Benigar, Elizabeta; Jamnik, Andrej; Stopar, David

    2014-10-13

    Carboxymethyl cellulose (CMC) is one of the most widely used thickening agents in industry. The combination of small-angle X-ray scattering (SAXS), static and dynamic light scattering, as well as viscosity measurements and microscopy at different pH values was utilized to explore the physicochemical properties of CMC on a scale ranging from individual macromolecules to supramolecular assemblies. The supramolecular structure of CMC was represented as a set of characteristic sample subspaces based on SAXS data utilizing the string-of-beads model. The results indicate that at pH 7.0 individual CMC molecules are approximately uniformly distributed in a supramolecular structure owing to strong intra- and intermolecular repulsive interactions. The structure of CMC is most expanded at the value of pKa, where it has the largest radius of gyration, persistence length, and size of heterogeneous regions. Below pKa the majority of the CMC sample volume belongs to the low density subspaces. Most of CMC molecules, however, reside in a few high density subspaces. Dynamically, supramolecular structure of CMC is composed of fast diffusive relaxation processes embedded in a background of non-diffusive slow relaxation process at high pH and mostly slow relaxation processes at low pH. The rheological properties of CMC at different pH values were directly related to the CMC supramolecular structure in the aqueous environment. PMID:25037380

  12. Small angle X-ray scattering study of poly(N-isopropyl acrylamide) based cryogels near the volume-phase transition temperature

    Energy Technology Data Exchange (ETDEWEB)

    Chalal, Mohand [Laboratoire d' Electronique Quantique, Faculte de Physique, USTHB Alger, 16111 Alger (Algeria); Ehrburger-Dolle, Francoise; Morfin, Isabelle [Laboratoire de Spectrometrie Physique, UMR 5588 CNRS/UJF, 38402 Saint Martin d' Heres (France); Armas, Maria-Rosa Aguilar de; Lopez, Maria-Luisa [Instituto de Ciencia y TecnologIa de PolImeros, CSIC and CIBER-BBN, 28006 Madrid (Spain); Bley, Francoise, E-mail: francoise.ehrburger-dolle@ujf-grenoble.f [Science et Ingenierie des Materiaux et Procedes, UMR 5266 CNRS/INPG/UJF, 38402 Saint Martin d' Heres (France)

    2010-10-01

    The structural modifications induced by changes in temperature are investigated by Small-Angle X-ray Scattering (SAXS) over a broad range of q-values (3.5x10{sup -2} - 12 nm{sup -1}) in cryogels based on N-isopropylacrylamide (NIPA) and/or 2-Hydroxyethyl methacrylate-L-Lactide-Dextran (HEMA-LLA-D) macromer. Various copolymeric cryogels of these two monomers are prepared by cryopolymerization yielding macroporous gels (cryogels). For the plain pNIPA cryogel, the SAXS curves obtained at each temperature are well fitted by a sum of four equations describing respectively the scattering resulting from the gel surface (power law), from the solid-like (Guinier equation) and liquid-like (Ornstein-Zernike equation) heterogeneities and from the chain-chain correlation yielding a broad peak (pseudo-Voigt equation) in the high-q domain. The temperature dependence of the parameters obtained from the fit is analyzed and discussed. It is shown that the existence of an isoscattering (or isosbestic) point observed in pNIPA gels and in some copolymers is related to features observed by Differential Scanning Calorimetry and swelling ratio measurements.

  13. X-ray resonant magnetic scattering ellipsometer

    International Nuclear Information System (INIS)

    It is very difficult to characterize the polarization of a synchrotron radiation source in the soft and/or intermediate x-ray energy region particularly from 1 to 2 keV. Conventional multilayer mirror or single-crystal polarimeters do not work over this energy region because their throughput (the reflectivities combined with the phase shift) becomes insignificant. In this paper, we present a new ellipsometer scheme that is able to fully characterize the polarization of synchrotron radiation sources in this energy region. It is based on the dichroic x-ray resonant ferromagnetic scattering that yields information on both the polarization of the x-ray and the material (element specific) dielectric-constant tensor [C.-C. Kao et al., Phys. Rev. B 50, 9599 (1994)] due to the interband ferromagnetic Kerr effect [B.R. Cooper, Phys. Rev. A 139, 1504 (1965)]. copyright 1996 American Institute of Physics

  14. DEFORMATION OF SOFT COLLOIDAL CRYSTALLINE STRUCTURE-THEORETICAL CONSIDERATIONS AND EXPERIMENTAL EVIDENCES BY SYNCHROTRON SMALL-ANGLE X-RAY SCATTERING ON TENSILE STRETCHED POLYMERIC LATEX FILM

    Institute of Scientific and Technical Information of China (English)

    Jian-qi Zhang; Yong-feng Men

    2009-01-01

    Films obtained via drying a polymeric latex dispersion are normally colloidal crystalline where latex particles are packed into a face centered cubic (fcc) structure.Different from conventional atomic crystallites or hard sphere colloidal crystallites,the crystalline structure of these films is normally deformable due to the low glass transition temperature of the latex particles.Upon tensile deformation,depending on the drawing direction with respect to the normal of specific crystallographic plane,one observes different crystalline structural changes.Three typical situations where crystallographic c-axis,body diagonal or face diagonal of the fcc structure of the colloidal crystallites being parallel to the stretching direction were investigated.Tilting angle and d-spacing of several crystallographic planes as a function of draw ratio at each situation were derived.Experimental evidences for such relationships were also given by considering in-situ synchrotron small angle X-ray scattering data of a typical latex film during stretching.It turns out that the experimental results are fully in accordance with the mathematical calculations.

  15. How Large is an α-Helix? Studies of the Radii of Gyration of Helical Peptides by Small-angle X-ray Scattering and Molecular Dynamics

    International Nuclear Information System (INIS)

    Using synchrotron radiation and the small-angle X-ray scattering technique we have measured the radii of gyration of a series of alanine-based alpha-helix-forming peptides of the composition Ace-(AAKAA)(n)-GY-NH(2), n=2-7, in aqueous solvent at 10(+/-1) degrees C. In contrast to other techniques typically used to study alpha-helices in isolation (such as nuclear magnetic resonance and circular dichroism), small-angle X-ray scattering reports on the global structure of a molecule and, as such, provides complementary information to these other, more sequence-local measuring techniques. The radii of gyration that we measure are, except for the 12-mer, lower than the radii of gyration of ideal alpha-helices or helices with frayed ends of the equivalent sequence-length. For example, the measured radius of gyration of the 37-mer is 14.2(+/-0.6)A, which is to be compared with the radius of gyration of an ideal 37-mer alpha-helix of 17.6A. Attempts are made to analyze the origin of this discrepancy in terms of the analytical Zimm-Bragg-Nagai (ZBN) theory, as well as distributed computing explicit solvent molecular dynamics simulations using two variants of the AMBER force-field. The ZBN theory, which treats helices as cylinders connected by random walk segments, predicts markedly larger radii of gyration than those measured. This is true even when the persistence length of the random walk parts is taken to be extremely short (about one residue). Similarly, the molecular dynamics simulations, at the level of sampling available to us, give inaccurate values of the radii of gyration of the molecules (by overestimating them by around 25% for longer peptides) and/or their helical content. We conclude that even at the short sequences examined here (< or =37 amino acid residues), these alpha-helical peptides behave as fluctuating semi-broken rods rather than straight cylinders with frayed ends.

  16. The Diffraction Pattern Calculator (DPC) toolkit: a user-friendly approach to unit-cell lattice parameter identification of two-dimensional grazing-incidence wide-angle X-ray scattering data

    OpenAIRE

    Hailey, Anna K.; Hiszpanski, Anna M.; Smilgies, Detlef-M.; Loo, Yueh-Lin

    2014-01-01

    The computer program DPC toolkit is a simple and user-friendly tool that identifies the unit-cell lattice parameters of a crystal structure that are consistent with a given set of two-dimensional grazing-incidence wide-angle X-ray scattering data.

  17. X-ray scattering signatures of β-thalassemia

    International Nuclear Information System (INIS)

    X-ray scattering from lyophilized proteins or protein-rich samples is characterized by the presence of two characteristic broad peaks at scattering angles equivalent to momentum transfer values of 0.27 and 0.6 nm-1, respectively. These peaks arise from the interference of coherently scattered photons. Once the conformation of a protein is changed, these two peaks reflect such change with considerable sensitivity. The present work examines the possibility of characterizing the most common cause of hemolytic anaemia in Egypt and many Mediterranean countries; β-thalassemia, from its X-ray scattering profile. This disease emerges from a genetic defect causing reduced rate in the synthesis of one of the globin chains that make up hemoglobin. As a result, structurally abnormal hemoglobin molecules are formed. In order to detect such molecular disorder, hemoglobin samples of β-thalassemia patients are collected, lyophilized and measured using a conventional X-ray diffractometer. Results show significant differences in the X-ray scattering profiles of most of the diseased samples compared to control. The shape of the first scattering peak at 0.27 nm-1, in addition to the relative intensity of the first to the second scattering peaks, provides the most reliable signs of abnormality in diseased samples. The results are interpreted and confirmed with the aid of Fourier Transform Infrared (FTIR) spectroscopy of normal and thalassemia samples.

  18. Structural analysis of flexible proteins in solution by SmallAngle X-ray Scattering combined with crystallography

    Energy Technology Data Exchange (ETDEWEB)

    Tsutakawa, Susan E.; Hura, Greg L.; Frankel, Ken A.; Cooper,Priscilla K.; Tainer, John A.

    2006-05-25

    In the last few years, SAXS of biological materials has been rapidly evolving and promises to move structural analysis to a new level. Recent innovations in SAXS data analysis allow ab initio shape predictions of proteins in solution. Furthermore, experimental scattering data can be compared to calculated scattering curves from the growing data base of solved structures and also identify aggregation and unfolded proteins. Combining SAXS results with atomic resolution structures enables detailed characterizations in solution of mass, radius, conformations, assembly, and shape changes associated with protein folding and functions. SAXS can efficiently reveal the spatial organization of protein domains, including domains missing from or disordered in known crystal structures, and establish cofactor or substrate-induced conformational changes. For flexible domains or unstructured regions that are not amenable for study by many other structural techniques, SAXS provides a unique technology. Here, we present SAXS shape predictions for PCNA that accurately predict a trimeric ring assembly and for a full-length DNA repair glycosylase with a large unstructured region. These new results in combination with illustrative published data show how SAXS combined with high resolution crystal structures efficiently establishes architectures, assemblies, conformations, and unstructured regions for proteins and protein complexes in solution.

  19. Characterization of structure and coagulation behaviour of refractory organic substances (ROS) using small-angle neutron scattering (SANS), small-angle x-ray scattering (SAXS) and x-ray microscopy; Charakterisierung von Struktur und Koagulationsverhalten von Refraktaeren Organischen Saeuren (ROS) mit Hilfe von Neutronenkleinwinkelstreuung (SANS), Roentgenkleinwinkelstreuung (SAXS) und Roentgenmikroskopie

    Energy Technology Data Exchange (ETDEWEB)

    Pranzas, P.K. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Werkstofforschung

    1999-07-01

    In this work structure, coagulation and complexation behaviour of aquatic refractory organic substances (ROS) (humic and fulvic acids) were characterized. For this purpose a structural analytical system with the methods small-angle neutron scattering (SANS), small-angle x-ray scattering (SAXS) and X-ray microscopy with synchrotron radiation was developed and established. Size distributions of ROS of different origin were calculated from the scattering curves. Spherical ROS units were obtained, which coagulated by forming chainlike structures or disordered ROS agglomerates at higher concentrations. Additionally the average molecular weights of several ROS were calculated. Studies of the coagulation behaviour of ROS towards copper ions resulted in larger ROS-agglomerates besides the spherical ROS units. A linear relation between the addition of Cu{sup 2+} and the formation of the ROS-Cu{sup 2+}-agglomerates was found. With X-ray microscopy an extensive ROS-Cu{sup 2}-network structure could be registrated. For mercury and cadmium ions such coagulation interactions were not found. Investigations with X-ray microscopy of the coagulation behaviour of ROS towards the cationic surfactant DTB resulted in micel-like structures of equal size, which were spread throughout the solution. With increasing concentrations of DTB larger agglomerates up to network structures were obtained. (orig.) [German] In dieser Arbeit wurden Struktur, Koagulations- und Komplexierungsverhalten von aquatischen refraktaeren organischen Saeuren (ROS) (Humin- und Fulvinsaeuren) charakterisiert. Zu diesem Zweck wurde ein strukturanalytisches Gesamtsystem mit den Methoden Neutronenkleinwinkelstreuung (SANS), Roentgenkleinwinkelstreuung (SAXS) und Roentgenmikroskopie mit Synchrotronstrahlung entwickelt und etabliert. Fuer ROS unterschiedlicher Herkunft in Loesung wurden Groessenverteilungen aus den Streukurven berechnet. Es wurden kugelfoermige ROS-Einheiten gefunden, die bei hoeheren ROS

  20. Leather structure determination by small-angle X-ray scattering (SAXS): cross sections of ovine and bovine leather.

    Science.gov (United States)

    Basil-Jones, Melissa M; Edmonds, Richard L; Allsop, Timothy F; Cooper, Sue M; Holmes, Geoff; Norris, Gillian E; Cookson, David J; Kirby, Nigel; Haverkamp, Richard G

    2010-05-12

    SAXS has been applied to structural determination in leather. The SAXS beamline at the Australian Synchrotron provides 6 orders of magnitude dynamic range, enabling a rich source of structural information from scattering patterns of leather sections. SAXS patterns were recorded for q from 0.004 to 0.223 A(-1). Collagen d spacing varied across ovine leather sections from 63.8 nm in parts of the corium up to 64.6 nm in parts of the grain. The intensity of the collagen peak at q = 0.06 A(-1) varied by 1 order of magnitude across ovine leather sections with the high-intensity region in the corium and the low intensity in the grain. The degree of fiber orientation and the dispersion of the orientation has been quantified in leather. It is shown how the technique provides a wealth of useful information that may be used to characterize and compare leathers, skin, and connective tissue.

  1. Protein crowding in solution, frozen and freeze-dried states: small-angle neutron and X-ray scattering study of lysozyme/sorbitol/water systems

    Science.gov (United States)

    Krueger, Susan; Khodadadi, Sheila; Clark, Nicholas; McAuley, Arnold; Cristiglio, Viviana; Theyencheri, Narayanan; Curtis, Joseph; Shalaev, Evgenyi

    2015-03-01

    For effective preservation, proteins are often stored as frozen solutions or in glassy states using a freeze-drying process. However, aggregation is often observed after freeze-thaw or reconstitution of freeze-dried powder and the stability of the protein is no longer assured. In this study, small-angle neutron and X-ray scattering (SANS and SAXS) have been used to investigate changes in protein-protein interaction distances of a model protein/cryoprotectant system of lysozyme/sorbitol/water, under representative pharmaceutical processing conditions. The results demonstrate the utility of SAXS and SANS methods to monitor protein crowding at different stages of freezing and drying. The SANS measurements of solution samples showed at least one protein interaction peak corresponding to an interaction distance of ~ 90 Å. In the frozen state, two protein interaction peaks were observed by SANS with corresponding interaction distances at 40 Å as well as 90 Å. On the other hand, both SAXS and SANS data for freeze-dried samples showed three peaks, suggesting interaction distances ranging from ~ 15 Å to 170 Å. Possible interpretations of these interaction peaks will be discussed, as well as the role of sorbitol as a cryoprotectant during the freezing and drying process.

  2. Structural analysis of the yeast exosome Rrp6p–Rrp47p complex by small-angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Dedic, Emil; Seweryn, Paulina; Jonstrup, Anette Thyssen; Flygaard, Rasmus Koch [Centre for mRNP Biogenesis and Metabolism, Gustav Wieds Vej 10c, Aarhus University, DK-8000 Aarhus C (Denmark); Department of Molecular Biology and Genetics, Gustav Wieds Vej 10c, Aarhus University, DK-8000 Aarhus C (Denmark); Fedosova, Natalya U. [Department of Biomedicine, Ole Worms Allé 6, Aarhus University, DK-8000 Aarhus C (Denmark); Hoffmann, Søren Vrønning [Institute for Storage Ring Facilities (ISA), Department of Physics and Astronomy, Ny Munkegade 120, Aarhus University, DK-8000 Aarhus C (Denmark); Boesen, Thomas [Centre for Membrane Pumps in Cells and Disease – PUMPKIN, Gustav Wieds Vej 10c, Aarhus University, DK-8000 Aarhus C (Denmark); Department of Molecular Biology and Genetics, Gustav Wieds Vej 10c, Aarhus University, DK-8000 Aarhus C (Denmark); Brodersen, Ditlev Egeskov, E-mail: deb@mb.au.dk [Centre for mRNP Biogenesis and Metabolism, Gustav Wieds Vej 10c, Aarhus University, DK-8000 Aarhus C (Denmark); Department of Molecular Biology and Genetics, Gustav Wieds Vej 10c, Aarhus University, DK-8000 Aarhus C (Denmark)

    2014-07-18

    Highlights: • We show that S. cerevisiae Rrp6p and Rrp47p stabilise each other in vitro. • We determine molecular envelopes of the Rrp6p–Rrp47p complex by SAXS. • Rrp47p binds at the top of the Rrp6p exonuclease domain. • Rrp47p modulates the activity of Rrp6p on a variety of RNA substrates. • Rrp47p does not affect RNA affinity by Rrp6p. - Abstract: The RNase D-type 3′–5′ exonuclease Rrp6p from Saccharomyces cerevisiae is a nuclear-specific cofactor of the RNA exosome and associates in vivo with Rrp47p (Lrp1p). Here, we show using biochemistry and small-angle X-ray scattering (SAXS) that Rrp6p and Rrp47p associate into a stable, heterodimeric complex with an elongated shape consistent with binding of Rrp47p to the nuclease domain and opposite of the HRDC domain of Rrp6p. Rrp47p reduces the exonucleolytic activity of Rrp6p on both single-stranded and structured RNA substrates without significantly altering the affinity towards RNA or the ability of Rrp6p to degrade RNA secondary structure.

  3. Insights into Surface Interactions between Metal Organic Frameworks and Gases during Transient Adsorption and Diffusion by In-Situ Small Angle X-ray Scattering.

    Science.gov (United States)

    Dumée, Ludovic F; He, Li; Hodgson, Peter; Kong, Lingxue

    2016-01-01

    The fabrication of molecular gas sieving materials with specific affinities for a single gas species and able to store large quantities of materials at a low or atmospheric pressure is desperately required to reduce the adverse effects of coal and oil usage in carbon capture. Fundamental understanding of the dynamic adsorption of gas, the diffusion mechanisms across thin film membranes, and the impact of interfaces play a vital role in developing these materials. In this work, single gas permeation tests across micro-porous membrane materials, based on metal organic framework crystals grown on the surface of carbon nanotubes (ZiF-8@CNT), were performed for the first time in-situ at the Australian Synchrotron on the small angle X-ray scattering beamline in order to reveal molecular sieving mechanisms and gas adsorption within the material. The results show that specific chemi-sorption of CO₂ across the ZiF-8 crystal lattices affected the morphology and unit cell parameters, while the sieving of other noble or noble like gases across the ZiF-8@CNT membranes was found to largely follow Knudsen diffusion. This work demonstrates for the first time a novel and effective technique to assess molecular diffusion at the nano-scale across sub-nano-porous materials by probing molecular flexibility across crystal lattice and single cell units. PMID:27598211

  4. Extracting magnetic cluster size and its distributions in advanced perpendicular recording media with shrinking grain size using small angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Mehta, Virat; Ikeda, Yoshihiro; Takano, Ken; Terris, Bruce D.; Hellwig, Olav [San Jose Research Center, HGST a Western Digital company, 3403 Yerba Buena Rd., San Jose, California 95135 (United States); Wang, Tianhan [Department of Materials Science and Engineering, Stanford University, Stanford, California 94035 (United States); Stanford Institute for Materials and Energy Science (SIMES), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Wu, Benny; Graves, Catherine [Stanford Institute for Materials and Energy Science (SIMES), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94035 (United States); Dürr, Hermann A.; Scherz, Andreas; Stöhr, Jo [Stanford Institute for Materials and Energy Science (SIMES), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States)

    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.

  5. Evolution of Helium with Temperature in Neutron-Irradiated 10B-Doped Aluminum by Small-Angle X-Ray Scattering

    Directory of Open Access Journals (Sweden)

    Chaoqiang Huang

    2014-01-01

    Full Text Available Helium status is the primary effect of material properties under radiation. 10B-doped aluminum samples were prepared via arc melting technique and rapidly cooled with liquid nitrogen to increase the boron concentration during the formation of compounds. An accumulated helium concentration of ~6.2 × 1025 m−3 was obtained via reactor neutron irradiation with the reaction of 10B(n, α7Li. Temperature-stimulated helium evolution was observed via small-angle X-ray scattering (SAXS and was confirmed via transmission electron microscopy (TEM. The SAXS results show that the volume fraction of helium bubbles significantly increased with temperature. The amount of helium bubbles reached its maximum at 600°C, and the most probable diameter of the helium bubbles increased with temperature until 14.6 nm at 700°C. A similar size distribution of helium bubbles was obtained via TEM after in situ SAXS measurement at 700°C, except that the most probable diameter was 3.9 nm smaller.

  6. Structural Studies on Plasmodium falciparum Erythrocyte Membrane Protein 1 (PfEMP1) Malaria Antigens Using Small Angle X-Ray Scattering (SAXS)

    DEFF Research Database (Denmark)

    Christoffersen, Stig

    Infection with the pathogenic Plasmodium falciparum parasite causes the potentially deadly Malaria disease which leads to over 1 million fatalities each year according to the WHO (World Health Organization). Individuals subjected to multiple infections gradually become immune to the disease sympt...... covers many aspects of PfEMP1 structural composition and mechanism. Information that could be of value to future vaccine developments which ultimately will prevent the severe and fatal outcomes that malaria afflicts.......Infection with the pathogenic Plasmodium falciparum parasite causes the potentially deadly Malaria disease which leads to over 1 million fatalities each year according to the WHO (World Health Organization). Individuals subjected to multiple infections gradually become immune to the disease...... for low-resolution structural characterization of the PfEMP1 proteins. This thesis describes how small angle X-ray scattering (SAXS) was used to achieve low-resolution structural information for a range of PfEMP1 proteins investigated as potent malaria antigens. Especially the leading vaccine candidate...

  7. PAMAM6 dendrimers and DNA: pH dependent "beads-on-a-string" behavior revealed by small angle X-ray scattering

    CERN Document Server

    Dootz, Rolf; Pfohl, Thomas

    2011-01-01

    DNA interactions with polycations are not only important for our understanding of chromatin compaction but also for characterizing DNA-binding proteins involved in transcription, replication and repair. DNA is known to form several types of liquid-crystalline phases depending, among other factors, on polycation structure and charge density. Theoretical studies and simulations have predicted the wrapping of DNA around spherical positively charged polycations. As a potential mimic of the histone octamer or other DNA wrapping proteins, poly(amido amine) generation 6 (PAMAM6) dendrimers have been chosen for our study. The self-assembly of DNA induced by PAMAM6 has been investigated using small angle X-ray scattering (SAXS) in order to reveal the assemblies' structure dependence on the pH of the environment and on dendrimers concentration. We demonstrate that at pH 8.5 dense phases are formed and characterized by a 2D-columnar hexagonal lattice which is transformed into a 3D hexagonal lattice with increasing dendr...

  8. Small-angle X-ray scattering reveals compact domain-domain interactions in the N-terminal region of filamin C.

    Directory of Open Access Journals (Sweden)

    Ritika Sethi

    Full Text Available Filamins are multi-domain, actin cross-linking, and scaffolding proteins. In addition to the actin cross-linking function, filamins have a role in mechanosensor signaling. The mechanosensor function is mediated by domain-domain interaction in the C-terminal region of filamins. Recently, we have shown that there is a three-domain interaction module in the N-terminal region of filamins, where the neighboring domains stabilize the structure of the middle domain and thereby regulate its interaction with ligands. In this study, we have used small-angle X-ray scattering as a tool to screen for potential domain-domain interactions in the N-terminal region. We found evidence of four domain-domain interactions with varying flexibility. These results confirm our previous study showing that domains 3, 4, and 5 exist as a compact three domain module. In addition, we report interactions between domains 11-12 and 14-15, which are thus new candidate sites for mechanical regulation.

  9. Insights into Surface Interactions between Metal Organic Frameworks and Gases during Transient Adsorption and Diffusion by In-Situ Small Angle X-ray Scattering

    Science.gov (United States)

    Dumée, Ludovic F.; He, Li; Hodgson, Peter; Kong, Lingxue

    2016-01-01

    The fabrication of molecular gas sieving materials with specific affinities for a single gas species and able to store large quantities of materials at a low or atmospheric pressure is desperately required to reduce the adverse effects of coal and oil usage in carbon capture. Fundamental understanding of the dynamic adsorption of gas, the diffusion mechanisms across thin film membranes, and the impact of interfaces play a vital role in developing these materials. In this work, single gas permeation tests across micro-porous membrane materials, based on metal organic framework crystals grown on the surface of carbon nanotubes (ZiF-8@CNT), were performed for the first time in-situ at the Australian Synchrotron on the small angle X-ray scattering beamline in order to reveal molecular sieving mechanisms and gas adsorption within the material. The results show that specific chemi-sorption of CO2 across the ZiF-8 crystal lattices affected the morphology and unit cell parameters, while the sieving of other noble or noble like gases across the ZiF-8@CNT membranes was found to largely follow Knudsen diffusion. This work demonstrates for the first time a novel and effective technique to assess molecular diffusion at the nano-scale across sub-nano-porous materials by probing molecular flexibility across crystal lattice and single cell units. PMID:27598211

  10. Insights into Surface Interactions between Metal Organic Frameworks and Gases during Transient Adsorption and Diffusion by In-Situ Small Angle X-ray Scattering

    Directory of Open Access Journals (Sweden)

    Ludovic F. Dumée

    2016-09-01

    Full Text Available The fabrication of molecular gas sieving materials with specific affinities for a single gas species and able to store large quantities of materials at a low or atmospheric pressure is desperately required to reduce the adverse effects of coal and oil usage in carbon capture. Fundamental understanding of the dynamic adsorption of gas, the diffusion mechanisms across thin film membranes, and the impact of interfaces play a vital role in developing these materials. In this work, single gas permeation tests across micro-porous membrane materials, based on metal organic framework crystals grown on the surface of carbon nanotubes (ZiF-8@CNT, were performed for the first time in-situ at the Australian Synchrotron on the small angle X-ray scattering beamline in order to reveal molecular sieving mechanisms and gas adsorption within the material. The results show that specific chemi-sorption of CO2 across the ZiF-8 crystal lattices affected the morphology and unit cell parameters, while the sieving of other noble or noble like gases across the ZiF-8@CNT membranes was found to largely follow Knudsen diffusion. This work demonstrates for the first time a novel and effective technique to assess molecular diffusion at the nano-scale across sub-nano-porous materials by probing molecular flexibility across crystal lattice and single cell units.

  11. Evolution and change of He bubbles in He-containing Ti films upon thermal treatment studied by small-angle X-ray scattering and transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Guangai [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China); College of Nuclear Science and Technology, University of Science and Technology of China, Hefei, 230029 (China); Wu, Erdong, E-mail: ewu@imr.ac.cn [National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Huang, Chaoqiang [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China); College of Nuclear Science and Technology, University of Science and Technology of China, Hefei, 230029 (China); Cheng, Chun [National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Yan, Guanyun [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China); Wang, Xiaolin [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China); College of Nuclear Science and Technology, University of Science and Technology of China, Hefei, 230029 (China); Liu, Shi [National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Tian, Qiang; Chen, Bo [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China); Wu, Zhonghua [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Liu, Yi; Wang, Jie [Institute of Shanghai Apply Physics, Chinese Academy of Sciences, Shanghai 201800 (China)

    2014-05-02

    Evolution and change of He bubbles in magnetron sputtering prepared He-containing Ti films under thermal treatment are studied by small-angle X-ray scattering (SAXS), transmission electron microscopy (TEM) and X-ray diffraction. Incorporation of He introduces a large number of He-vacancy clusters and some voids in the films, and significantly increases SAXS intensity and causes anisotropic scattering. The change of He induced defects during annealing is affected by thermal diffusion and migration of trapped He to the surface and between interfaces of He induced defects within the films. Annealing at 200 and 400 °C reduces intensity and anisotropy of SAXS, in accord with observed shrinking and disappearance of the voids. The simultaneous growth of non-uniformly distributed He bubbles to the sizes of 1–2 nm and a population level of 10{sup 5}/μm{sup 3} are detected in the temperature range. The changes are explained by migration and coalescence mechanisms, which requires low apparent activation energy. Inconsistence between TEM and SAXS observations is noted and attributed to thinning induced internal stress relaxation of TEM specimen. Remarkable enlargement of He bubbles, associated with increased SAXS intensity and fractal dimension, is observed after 600 °C annealing, indicating involvement of Ostwald Ripening (OR) mechanism. The OR process dominates at 800 °C, where the high temperature provides activation energy for accelerated He dissociation from small bubbles into larger ones, and generating textured microstructure and agglomerated bubble clusters. The inhomogeneous bubble size distribution observed at this temperature covers a broad range of about 10–50 nm and possessing a population density level of 10{sup 3}/μm{sup 3}. - Highlights: • Change of He bubbles in thermally treated Ti–He films is studied by SAXS and TEM. • SAXS reveals size distribution and fractional population of He bubbles in films. • He-vacancy clusters in Ti–He film

  12. Multimodal particle size distribution or fractal surface of acrylic acid copolymer nanoparticles: A small-angle X-ray scattering study using direct Fourier and indirect maximum entropy methods

    OpenAIRE

    Mueller, J.J.; Hansen, S; Lukowski, G.; Gast, K.

    1995-01-01

    Acrylic acid copolymers are potential carriers for drug delivery. The surface, surface rugosity and the absolute dimension of the particles are parameters that determine the binding of drugs or detergents, diffusion phenomena at the surface and the distribution of the carrier within the human body. The particle-size distribution and surface rugosity of the particles have been investigated by small-angle X-ray scattering and dynamic light scattering. Direct Fourier transform as well as a new s...

  13. X-ray scattering measurements from thin-foil x-ray mirrors

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; BYRNAK, BP; Hornstrup, Allan;

    1992-01-01

    Thin foil X-ray mirrors are to be used as the reflecting elements in the telescopes of the X-ray satellites Spectrum-X-Gamma (SRG) and ASTRO-D. High resolution X-ray scattering measurements from the Au coated and dip-lacquered Al foils are presented. These were obtained from SRG mirrors positione...

  14. Picosecond Photobiology: Watching a Signaling Protein Function in Real Time via Time-Resolved Small- and Wide-Angle X-ray Scattering.

    Science.gov (United States)

    Cho, Hyun Sun; Schotte, Friedrich; Dashdorj, Naranbaatar; Kyndt, John; Henning, Robert; Anfinrud, Philip A

    2016-07-20

    The capacity to respond to environmental changes is crucial to an organism's survival. Halorhodospira halophila is a photosynthetic bacterium that swims away from blue light, presumably in an effort to evade photons energetic enough to be genetically harmful. The protein responsible for this response is believed to be photoactive yellow protein (PYP), whose chromophore photoisomerizes from trans to cis in the presence of blue light. We investigated the complete PYP photocycle by acquiring time-resolved small and wide-angle X-ray scattering patterns (SAXS/WAXS) over 10 decades of time spanning from 100 ps to 1 s. Using a sequential model, global analysis of the time-dependent scattering differences recovered four intermediates (pR0/pR1, pR2, pB0, pB1), the first three of which can be assigned to prior time-resolved crystal structures. The 1.8 ms pB0 to pB1 transition produces the PYP signaling state, whose radius of gyration (Rg = 16.6 Å) is significantly larger than that for the ground state (Rg = 14.7 Å) and is therefore inaccessible to time-resolved protein crystallography. The shape of the signaling state, reconstructed using GASBOR, is highly anisotropic and entails significant elongation of the long axis of the protein. This structural change is consistent with unfolding of the 25 residue N-terminal domain, which exposes the β-scaffold of this sensory protein to a potential binding partner. This mechanistically detailed description of the complete PYP photocycle, made possible by time-resolved crystal and solution studies, provides a framework for understanding signal transduction in proteins and for assessing and validating theoretical/computational approaches in protein biophysics. PMID:27305463

  15. Structure factor of blends of solvent-free nanoparticle–organic hybrid materials: density-functional theory and small angle X-ray scattering

    KAUST Repository

    Yu, Hsiu-Yu

    2014-09-15

    © the Partner Organisations 2014. We investigate the static structure factor S(q) of solvent-free nanoparticle-organic hybrid materials consisting of silica nanocores and space-filling polyethylene glycol coronas using a density-functional theory and small angle X-ray scattering measurements. The theory considers a bidisperse suspension of hard spheres with different radii and tethered bead-spring oligomers with different grafting densities to approximate the polydispersity effects in experiments. The experimental systems studied include pure samples with different silica core volume fractions and the associated mean corona grafting densities, and blends with different mixing ratios of the pure samples, in order to introduce varying polydispersity of corona grafting density. Our scattering experiments and theory show that, compared to the hard-sphere suspension with the same core volume fraction, S(q) for pure samples exhibit both substantially smaller values at small q and stronger particle correlations corresponding to a larger effective hard core at large q, indicating that the tethered incompressible oligomers enforce a more uniform particle distribution, and the densely grafted brush gives rise to an additional exclusionary effect between the nanoparticles. According to the theory, polydispersity in the oligomer grafting density controls the deviation of S(q) from the monodisperse system at smaller q, and the interplay of the enhanced effective core size and the entropic attraction among the particles is responsible for complex variations in the particle correlations at larger q. The successful comparison between the predictions and the measurements for the blends further suggests that S(q) can be used to assess the uniformity of grafting density in polymer-grafted nanoparticle materials. This journal is

  16. Small-angle X-ray scattering and rheological characterization of alginate gels. 2. Time-resolved studies on ionotropic gels

    Science.gov (United States)

    Yuguchi, Y.; Urakawa, H.; Kajiwara, K.; Draget, K. I.; Stokke, B. T.

    2000-10-01

    Gelation was observed by time-resolved small-angle X-ray scattering and rheology on 10 mg/ml Ca-alginate gels prepared by in situ release of Ca 2+ from CaEGTA or CaCO 3 with total Ca 2+ concentration in the range 10-20 mM. This was carried out for alginates having a fraction of α- L-GulA (G) of FG=0.39 and 0.68, respectively, obtained by the selection of alginates isolated from two different brown algae, Ascophyllum nodosum and Laminaria hyperborea stipe. Correlation between the rheological data and SAXS data shows that a large fraction of the lateral association precedes the formation of a continuous network through the sample cell. Following the initial association of chain segments in junction zones, the analysis using two-component broken rod model indicates the formation of larger bundles, and that the relative weight of these bundles increases with increasing time. The molecular model for the bundles is proposed by associating 2-16 units (G-blocks) composed of 14 (1→4) linked residues of α- L-GulA in parallel according to the available crystallographic data. The storage modulus increases as the bundles composed of associated alginate chains grow during the gel formation. The gel elasticity is mainly sustained by single chains in the alginate sample with a low fraction of α- L-GulA. The alginates with a high fraction of α- L-GulA associate into thicker bundles which join to form a network. Here the gel elasticity seems to be due to the flexible joints between bundles, since the fraction of single chains is extremely low.

  17. Structural model and stability studies of the extracellular domain of the human amyloid precursor protein obtained using small angle X-ray scattering

    International Nuclear Information System (INIS)

    Full text: The amyloid precursor protein (APP) is the precursor of the β-amyloid peptide (Aβ), which is centrally related to the genesis of Alzheimer's disease (AD). In addition, APP has been suggested to mediate and/or participate in events that lead to neuronal degeneration in AD. Human APP exists in various isoforms, of which the major ones contain 695, 751 and 770 aminoacids. Proteolytic cleavage of APP by α- or β-secretases releases the extracellular soluble fragments sAPPα and sAPPβ, respectively. Despite the fact that sAPPα plays important roles in both physiological and pathological processes in the brain, very little is known about the structure and stability of this protein. We have recently presented a structural model of sAPPα695 obtained from small-angle X-ray scattering (SAXS) measurements (Gralle et al., Biophys. J. 83,3513-3524). The elongated shape of the reported model is in agreement with the circular dichroism and secondary structure predictions based on the aminoacid sequence of APP. This suggests that a significant fraction of APP (30% of the aminoacid residues) is not involved in standard secondary structure elements. We now report high resolution SAXS models and studies of folding and stabilities of both sAPPα695 and sAPPα770. These high resolution measurements allows the calculation of models up to subdomain structure (4 angstrom resolution). These models enable the prediction of hydrodynamic parameters of these proteins which can be compared with measured values. SAXS measurements of the denaturation of sAPPα695 and sAPPα770 by GdnHCl and urea revealed a multi-step folding pathway for both sAPPα isoforms. The stepwise denaturation process can be correlated to the three-dimensional models. (author)

  18. Liquid structure of acetic acid-water and trifluoroacetic acid-water mixtures studied by large-angle X-ray scattering and NMR.

    Science.gov (United States)

    Takamuku, Toshiyuki; Kyoshoin, Yasuhiro; Noguchi, Hiroshi; Kusano, Shoji; Yamaguchi, Toshio

    2007-08-01

    The structures of acetic acid (AA), trifluoroacetic acid (TFA), and their aqueous mixtures over the entire range of acid mole fraction xA have been investigated by using large-angle X-ray scattering (LAXS) and NMR techniques. The results from the LAXS experiments have shown that acetic acid molecules mainly form a chain structure via hydrogen bonding in the pure liquid. In acetic acid-water mixtures hydrogen bonds of acetic acid-water and water-water gradually increase with decreasing xA, while the chain structure of acetic acid molecules is moderately ruptured. Hydrogen bonds among water molecules are remarkably formed in acetic acid-water mixtures at xATFA molecules form not a chain structure but cyclic dimers through hydrogen bonding in the pure liquid. In TFA-water mixtures O...O hydrogen bonds among water molecules gradually increase when xA decreases, and hydrogen bonds among water molecules are significantly formed in the mixtures at xATFA molecules are considerably dissociated to hydrogen ions and trifluoroacetate in the mixtures. 1H, 13C, and 19F NMR chemical shifts of acetic acid and TFA molecules for acetic acid-water and TFA-water mixtures have indicated strong relationships between a structural change of the mixtures and the acid mole fraction. On the basis of both LAXS and NMR results, the structural changes of acetic acid-water and TFA-water mixtures with decreasing acid mole fraction and the effects of fluorination of the methyl group on the structure are discussed at the molecular level. PMID:17628099

  19. Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex

    Energy Technology Data Exchange (ETDEWEB)

    Hennig, Janosch; Wang, Iren; Sonntag, Miriam [Institute of Structural Biology, Helmholtz Zentrum Muenchen (Germany); Gabel, Frank [Extremophiles and Large Molecular Assemblies Group (ELMA), Institut de Biologie Structurale (IBS) CEA-CNRS-UJF (France); Sattler, Michael, E-mail: sattler@helmholtz-muenchen.de [Institute of Structural Biology, Helmholtz Zentrum Muenchen (Germany)

    2013-05-15

    Many processes in the regulation of gene expression and signaling involve the formation of protein complexes involving multi-domain proteins. Individual domains that mediate protein-protein and protein-nucleic acid interactions are typically connected by flexible linkers, which contribute to conformational dynamics and enable the formation of complexes with distinct binding partners. Solution techniques are therefore required for structural analysis and to characterize potential conformational dynamics. Nuclear magnetic resonance spectroscopy (NMR) provides such information but often only sparse data are obtained with increasing molecular weight of the complexes. It is therefore beneficial to combine NMR data with additional structural restraints from complementary solution techniques. Small angle X-ray/neutron scattering (SAXS/SANS) data can be efficiently combined with NMR-derived information, either for validation or by providing additional restraints for structural analysis. Here, we show that the combination of SAXS and SANS data can help to refine structural models obtained from data-driven docking using HADDOCK based on sparse NMR data. The approach is demonstrated with the ternary protein-protein-RNA complex involving two RNA recognition motif (RRM) domains of Sex-lethal, the N-terminal cold shock domain of Upstream-to-N-Ras, and msl-2 mRNA. Based on chemical shift perturbations we have mapped protein-protein and protein-RNA interfaces and complemented this NMR-derived information with SAXS data, as well as SANS measurements on subunit-selectively deuterated samples of the ternary complex. Our results show that, while the use of SAXS data is beneficial, the additional combination with contrast variation in SANS data resolves remaining ambiguities and improves the docking based on chemical shift perturbations of the ternary protein-RNA complex.

  20. Edible oil structures at low and intermediate concentrations. II. Ultra-small angle X-ray scattering of in situ tristearin solids in triolein

    Science.gov (United States)

    Peyronel, Fernanda; Ilavsky, Jan; Mazzanti, Gianfranco; Marangoni, Alejandro G.; Pink, David A.

    2013-12-01

    Ultra-small angle X-ray scattering has been used for the first time to elucidate, in situ, the aggregation structure of a model edible oil system. The three-dimensional nano- to micro-structure of tristearin solid particles in triolein solvent was investigated using 5, 10, 15, and 20% solids. Three different sample preparation procedures were investigated: two slow cooling rates of 0.5°/min, case 1 (22 days of storage at room temperature) and case 2 (no storage), and one fast cooling of 30°/min, case 3 (no storage). The length scale investigated, by using the Bonse-Hart camera at beamline ID-15D at the Advanced Photon Source, Argonne National Laboratory, covered the range from 300 Å to 10 μm. The unified fit and the Guinier-Porod models in the Irena software were used to fit the data. The former was used to fit 3 structural levels. Level 1 structures showed that the primary scatterers were essentially 2-dimensional objects for the three cases. The scatterers possessed lateral dimensions between 1000 and 4300 Å. This is consistent with the sizes of crystalline nanoplatelets present which were observed using cryo-TEM. Level 2 structures were aggregates possessing radii of gyration, Rg2 between 1800 Å and 12000 Å and fractal dimensions of either D2=1 for case 3 or 1.8≤D2≤2.1 for case 1 and case 2. D2 = 1 is consistent with unaggregated 1-dimensional objects. 1.8 ≤ D2 ≤ 2.1 is consistent with these 1-dimensional objects (below) forming structures characteristic of diffusion or reaction limited cluster-cluster aggregation. Level 3 structures showed that the spatial distribution of the level 2 structures was uniform, on the average, for case 1, with fractal dimension D3≈3 while for case 2 and case 3 the fractal dimension was D3≈2.2, which suggested that the large-scale distribution had not come to equilibrium. The Guinier-Porod model showed that the structures giving rise to the aggregates with a fractal dimension given by D2 in the unified fit level 2

  1. New insights into nucleation. Pressure trace measurements and the first small angle X-ray scattering experiments in a supersonic laval nozzle

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, D.

    2007-07-01

    Homogeneous nucleation rates of the n-alcohols and the n-alkanes have been determined by combining information from two sets of supersonic Laval nozzle expansion experiments under identical conditions. The nucleation rates J=N/{delta}t{sub Jmax} for the n-alcohols are in the range of 1.10{sup 17}Angle X-ray Scattering experiments are conducted to determine the particle number density for both substance classes. Particle number densities in the range of 1.10{sup 12}scattering spectrum, information on the

  2. Quantification of void network architectures of suspension plasma-sprayed (SPS) yttria-stabilized zirconia (YSZ) coatings using Ultra-small-angle X-ray scattering (USAXS)

    International Nuclear Information System (INIS)

    Suspension plasma spraying (SPS) is able to process a stabilized suspension of nanometer-sized feedstock particles to form thin (from 20 to 100 μm) coatings with unique microstructures. The void (pore) network structure of these ceramic coatings is challenging to characterize and quantify using commonly used techniques due to small sizes involved. Nevertheless, the discrimination of these pores in terms of their size and shape distribution, anisotropy, specific surface area, etc., is critical for the understanding of processing, microstructure, and properties relationships. We will show that one of suitable combinations of techniques providing sufficient detail is ultra-small-angle X-ray scattering (USAXS) and helium pycnometry, combined with scanning electron microscopy (SEM). Yttria-partially stabilized zirconia (YSZ) coatings were manufactured by plasma processing of suspension of particles with average diameter of ∼50 nm. Several sets of spray parameters (plasma gas mixture, spray distance, electric arc intensity, etc.) were used to generate plasma jets with different mass enthalpies and coefficients of thermal transfer and different heat fluxes transferred to the substrate. Free-standing coatings were studied as-sprayed and annealed at 800 and 1100 deg. C for 10 and 100 h (non-constrained sintering). Results indicate that the SPS coatings exhibit nanosized pore microstructure: average void size was about the same size scale as the feedstock size; i.e., nanometer sizes with multimodal void size distribution. About 80% of the pores (by number) exhibited characteristic dimensions smaller than 30 nm. Total void content of as-sprayed SPS coatings varies between 13% and 20%. Most of the voids were found to be opened with only between one-tenth to one-third of voids volume being inaccessible by intrusion (not connected to either surface). During annealing, even at temperatures as low than 800 deg. C, the microstructure transformed: while the total void content did

  3. A small-angle X-ray scattering study of the effect of chain architecture on the shear-induced crystallization of branched and linear poly(ethylene terephthalate)

    OpenAIRE

    Hanley, T.; Sutton, D.; Heeley, E; Moad, G.; KNOTT, R.

    2007-01-01

    The synchrotron-based small-angle X-ray scattering (SAXS) technique was used to investigate the shear-induced crystallization kinetics of branched/unbranched poly(ethylene terephthalate) (PET). Reactive extrusion of bottle-grade PET with the branching and chain-extension agents pyromellitic dianhydride and pentaerythritol results in enhanced rheological properties, such as higher melt strength and higher viscosity. In this study, six samples of PET were investigated: linear PET [intrinsic vis...

  4. Edible oil structures at low and intermediate concentrations. II. Ultra-small angle X-ray scattering of in situ tristearin solids in triolein

    Energy Technology Data Exchange (ETDEWEB)

    Peyronel, Fernanda; Marangoni, Alejandro G. [Food Science Department, University of Guelph, Guelph, Ontario N1G 2W1 (Canada); Ilavsky, Jan [Advanced Photon Source, Argonne National Laboratory, 9700S Cass Ave., Bldg. 434D, Argonne, Illinois 60439 (United States); Mazzanti, Gianfranco [Department of Process Engineering and Applied Science, Dalhousie University, Halifax, Nova Scotia B3H 4R2 (Canada); Pink, David A. [Food Science Department, University of Guelph, Guelph, Ontario N1G 2W1 (Canada); Physics Department, St. Francis Xavier University, Antigonish, Nova Scotia B2G 2W5 (Canada)

    2013-12-21

    Ultra-small angle X-ray scattering has been used for the first time to elucidate, in situ, the aggregation structure of a model edible oil system. The three-dimensional nano- to micro-structure of tristearin solid particles in triolein solvent was investigated using 5, 10, 15, and 20% solids. Three different sample preparation procedures were investigated: two slow cooling rates of 0.5°/min, case 1 (22 days of storage at room temperature) and case 2 (no storage), and one fast cooling of 30°/min, case 3 (no storage). The length scale investigated, by using the Bonse-Hart camera at beamline ID-15D at the Advanced Photon Source, Argonne National Laboratory, covered the range from 300 Å to 10 μm. The unified fit and the Guinier-Porod models in the Irena software were used to fit the data. The former was used to fit 3 structural levels. Level 1 structures showed that the primary scatterers were essentially 2-dimensional objects for the three cases. The scatterers possessed lateral dimensions between 1000 and 4300 Å. This is consistent with the sizes of crystalline nanoplatelets present which were observed using cryo-TEM. Level 2 structures were aggregates possessing radii of gyration, R{sub g2} between 1800 Å and 12000 Å and fractal dimensions of either D{sub 2}=1 for case 3 or 1.8≤D{sub 2}≤2.1 for case 1 and case 2. D{sub 2} = 1 is consistent with unaggregated 1-dimensional objects. 1.8 ≤ D{sub 2} ≤ 2.1 is consistent with these 1-dimensional objects (below) forming structures characteristic of diffusion or reaction limited cluster-cluster aggregation. Level 3 structures showed that the spatial distribution of the level 2 structures was uniform, on the average, for case 1, with fractal dimension D{sub 3}≈3 while for case 2 and case 3 the fractal dimension was D{sub 3}≈2.2, which suggested that the large-scale distribution had not come to equilibrium. The Guinier-Porod model showed that the structures giving rise to the aggregates

  5. Incoherent x-ray scattering in single molecule imaging

    CERN Document Server

    Slowik, Jan Malte; Dixit, Gopal; Jurek, Zoltan; Santra, Robin

    2014-01-01

    Imaging of the structure of single proteins or other biomolecules with atomic resolution would be enormously beneficial to structural biology. X-ray free-electron lasers generate highly intense and ultrashort x-ray pulses, providing a route towards imaging of single molecules with atomic resolution. The information on molecular structure is encoded in the coherent x-ray scattering signal. In contrast to crystallography there are no Bragg reflections in single molecule imaging, which means the coherent scattering is not enhanced. Consequently, a background signal from incoherent scattering deteriorates the quality of the coherent scattering signal. This background signal cannot be easily eliminated because the spectrum of incoherently scattered photons cannot be resolved by usual scattering detectors. We present an ab initio study of incoherent x-ray scattering from individual carbon atoms, including the electronic radiation damage caused by a highly intense x-ray pulse. We find that the coherent scattering pa...

  6. Observing Solvation Dynamics with Simultaneous Femtosecond X-ray Emission Spectroscopy and X-ray Scattering

    DEFF Research Database (Denmark)

    Haldrup, Kristoffer; Gawelda, Wojciech; Abela, Rafael;

    2016-01-01

    rearrangement of the solute with X-ray emission spectroscopy, thus establishing time zero for the ensuing X-ray diffuse scattering analysis. The simultaneously recorded X-ray diffuse scattering atterns reveal slower subpicosecond dynamics triggered by the intramolecular structural dynamics of the photoexcited......, confirming previous ab initio molecular dynamics simulations. Structural changes in the aqueous solvent associated with density and temperature changes occur with similar to 1 ps time constants, characteristic for structural dynamics in water. This slower time scale of the solvent response allows us...

  7. Nanobeam X-ray scattering probing matter at the nanoscale

    CERN Document Server

    Stangl, Julian; Chamard, Virginie; Carbone, Dina

    2013-01-01

    A comprehensive overview of the possibilities and potential of X-ray scattering using nanofocused beams for probing matter at the nanoscale, including guidance on the design of nanobeam experiments. The monograph discusses various sources, including free electron lasers, synchrotron radiation and other portable and non-portable X-ray sources.For scientists using synchrotron radiation or students and scientists with a background in X-ray scattering methods in general.

  8. Fast sampling model for X-ray Rayleigh scattering

    CERN Document Server

    Grichine, V M

    2013-01-01

    A simple model for X-ray Rayleigh scattering is discussed in terms of the process total cross-section and the angular distribution of scattered X-ray photons. Comparisons with other calculations and experimental data are presented. The model is optimized for the simulation of X-ray tracking inside experimental setups with complex geometry where performance and memory volume are issues to be optimized. (C) 2013 Elsevier B.V. All rights reserved.

  9. Quantum effets in nonresonant X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Slowik, Jan Malte

    2015-11-15

    Due to their versatile properties, X rays are a unique tool to investigate the structure and dynamics of matter. X-ray scattering is the fundamental principle of many imaging techniques. Examples are X-ray crystallography, which recently celebrated one hundred years and is currently the leading method in structure determination of proteins, as well as X-ray phase contrast imaging (PCI), which is an imaging technique with countless applications in biology, medicine, etc. The technological development of X-ray free electron lasers (XFEL) has brought X-ray imaging at the edge of a new scientific revolution. XFELs offer ultrashort X-ray pulses with unprecedented high X-ray fluence and excellent spatial coherence properties. These properties make them an outstanding radiation source for X-ray scattering experiments, providing ultrafast temporal resolution as well as atomic spatial resolution. However, the radiation-matter interaction in XFEL experiments also advances into a novel regime. This demands a sound theoretical fundament to describe and explore the new experimental possibilities. This dissertation is dedicated to the theoretical study of nonresonant X-ray scattering. As the first topic, I consider the near-field imaging by propagation based X-ray phase contrast imaging (PCI). I devise a novel theory of PCI, in which radiation and matter are quantized. Remarkably, the crucial interference term automatically excludes contributions from inelastic scattering. This explains the success of the classical description thus far. The second topic of the thesis is the X-ray imaging of coherent electronic motion, where quantum effects become particularly apparent. The electron density of coherent electronic wave packets - important in charge transfer and bond breaking - varies in time, typically on femto- or attosecond time scales. In the near future, XFELs are envisaged to provide attosecond X-ray pulses, opening the possibility for time-resolved ultrafast X-ray scattering

  10. Quantum effets in nonresonant X-ray scattering

    International Nuclear Information System (INIS)

    Due to their versatile properties, X rays are a unique tool to investigate the structure and dynamics of matter. X-ray scattering is the fundamental principle of many imaging techniques. Examples are X-ray crystallography, which recently celebrated one hundred years and is currently the leading method in structure determination of proteins, as well as X-ray phase contrast imaging (PCI), which is an imaging technique with countless applications in biology, medicine, etc. The technological development of X-ray free electron lasers (XFEL) has brought X-ray imaging at the edge of a new scientific revolution. XFELs offer ultrashort X-ray pulses with unprecedented high X-ray fluence and excellent spatial coherence properties. These properties make them an outstanding radiation source for X-ray scattering experiments, providing ultrafast temporal resolution as well as atomic spatial resolution. However, the radiation-matter interaction in XFEL experiments also advances into a novel regime. This demands a sound theoretical fundament to describe and explore the new experimental possibilities. This dissertation is dedicated to the theoretical study of nonresonant X-ray scattering. As the first topic, I consider the near-field imaging by propagation based X-ray phase contrast imaging (PCI). I devise a novel theory of PCI, in which radiation and matter are quantized. Remarkably, the crucial interference term automatically excludes contributions from inelastic scattering. This explains the success of the classical description thus far. The second topic of the thesis is the X-ray imaging of coherent electronic motion, where quantum effects become particularly apparent. The electron density of coherent electronic wave packets - important in charge transfer and bond breaking - varies in time, typically on femto- or attosecond time scales. In the near future, XFELs are envisaged to provide attosecond X-ray pulses, opening the possibility for time-resolved ultrafast X-ray scattering

  11. X-ray Thomson Scattering using the Hybrid X-pinch X-ray Source

    Science.gov (United States)

    Hoyt, Cad; Pikuz, Sergei; Shelkovenko, Tania; Hammer, Dave

    2013-10-01

    Stringent photometric and bandwidth requirements have historically relegated X-ray Thomson scattering (XRTS) probe sources to high energy laser plasma sources or free electron lasers. Standard x-pinch configurations in which two or more fine wires cross and subtend an angle of about 30° forming an ``X'' between the anode and cathode of a pulsed power generatorcan produce extremely bright, subnanosecond bursts of continuum and line radiation from micron-scale sources. The hybrid x-pinch is a new configuration based on conical W-Cu alloy electrodes with a short 1-2 mm gap that is bridged by a fine wire resulting in an easier to load setup with improved performance characteristics. We explore the possibility of utilizing the hybid x-pinch as a novel XRTS probe source by examining certain spectral and temporal attributes of a range of materials in a hybrid x-pinch configuration on the XP (500 kA, 50 ns) and COBRA(1MA, 100ns) pulsed power generators. We find that a Ti hybrid x-pinch produces >1012 photons/sr in Ti He-alpha radiation and satisfies the noncollective scattering bandwidth requirement. Measurements of photon fluence, bandwidth and applicability to the relevant scattering regime and initial scattering results will be presented.

  12. In Situ Lipolysis and Synchrotron Small-Angle X-ray Scattering for the Direct Determination of the Precipitation and Solid-State Form of a Poorly Water-Soluble Drug During Digestion of a Lipid-Based Formulation

    DEFF Research Database (Denmark)

    Khan, Jamal; Hawley, Adrian; Rades, Thomas;

    2016-01-01

    In situ lipolysis and synchrotron small-angle X-ray scattering (SAXS) were used to directly detect and elucidate the solid-state form of precipitated fenofibrate from the digestion of a model lipid-based formulation (LBF). This method was developed in light of recent findings that indicate...... variability in solid-state form upon the precipitation of some drugs during the digestion of LBFs, addressing the need to establish a real-time technique that enables solid-state analysis during in vitro digestion. In addition, an ex situ method was also used to analyse the pellet phase formed during...

  13. X-Ray Absorption and Scattering by Interstellar Grains

    CERN Document Server

    Hoffman, John A

    2015-01-01

    Interstellar abundance determinations from fits to X-ray absorption edges often rely on the following false assumptions: (1) the grains are "optically thin" at the observed X-ray wavelengths, and (2) scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. An open...

  14. X-RAY SCATTERING STUDIES ON NYLON-1010

    Institute of Scientific and Technical Information of China (English)

    MO Zhishen; YANG Baoquan; XUE Xiaofu; ZHANG Lihua

    1992-01-01

    From Wide-Angle X-ray Scattering (WAXS) pattern of uniaxially orientated fibers, the crystal structure of Nylon-1010 was determined. The Nylon-1010 crystallizes in the tricllinic system, with lattice dimensions: a=4.9A, b=5.4A, c=27.8A, α=49 °, β=77 °,γ=63.5 °, the unit cell contains one monomeric unit and the space group is P1. The degree of crystallinity of polymer was determined as about 60%, using Ruland's method.The structures of Nylon-1010 with different draw ratio have been investigated by using Small-Angle X-ray Scattering (SAXS). The results indicate that the draw ratio of samples has a significant effect on microstructure of Nylon-1010. The long period and thickness of amorphous layer obviously increase but the invariant, average lamellar and interphase zone show almost independent of draw ratio, long period increases because amorphous layer increases with draw ratio. The electron density fluctuation values increased with draw ratio, but inner surface Os is drecreased.

  15. X-RAY SCATTERING MEASUREMENTS OF SILICON OXIDES ON SILICON

    OpenAIRE

    Cowley, R; Lucas, C.

    1989-01-01

    Measurements have been made of the X-ray reflectivity and the X-ray scattering in the tails of the Bragg reflections from samples of silicon wafers with oxide layers produced by varying techniques and thicknesses. The measurements were performed by using a triple crystal spectrometer on a rotating anode X-ray source. The advantages of using a triple crystal spectrometer for these measurements are high resolution even when the surfaces are not macroscopically flat and a clear separation of the...

  16. Proposal of a crossed Bonse-Hart type camera at E.S.R.F. for very high resolution X-Ray diffraction and very low angle scattering

    International Nuclear Information System (INIS)

    We propose a crossed Bonse-Hart diffractometer, unique in it's conception, optimised for the measurement of scattered intensity very near from the direct beam and for the study of the lineshape from crystals, colloidal crystals and liquid crystals. The resolution and the dynamic of a high resolution apparatus are conventionnaly defined as the ratio R between the incident flux at 2θ=0 and the remaining flux at 2θ=30 min of arc. None of the apparatus programmed at the European Synchrotron Radiation Facility (ESRF) is optimised in order to get the maximum ratio R. We propose a camera which might allow to obtain the best rejection ratio of parasitic light in the world. The 4 circles diffractometer carrying the sample is placed after a monochromator composed of several channel cut crystals. The assembly of crossed crystals ensures the parallelism of the incident beam along the horizontal and vertical directions. The analysis is performed by a 5 reflections channel cut crystal associated with a CCD linear multidetector. The sensitivity of this apparatus for samples of low contrast or diluted samples is not reached onto any existing X-ray camera: a ratio larger than 109 is waited between the direct beam intensity and that of the parasitic light for a q value of 0.001 A-1. This crossed Bonse-Hart diffractometer will allow measurements for momentum transfers as low as q=0.0001 A-1

  17. Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity.

    Science.gov (United States)

    Abdullah, Malik Muhammad; Jurek, Zoltan; Son, Sang-Kil; Santra, Robin

    2016-09-01

    We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit, we employ a Monte-Carlo-molecular dynamics-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units, we simulate the diffraction pattern of a crystal larger than the transverse x-ray beam profile, a situation commonly encountered in femtosecond nanocrystallography experiments with focused x-ray free-electron laser radiation. Radiation damage is not spatially uniform and depends on the fluence associated with each specific region inside the crystal. To investigate the effects of uniform and non-uniform fluence distribution, we have used two different spatial beam profiles, Gaussian and flattop. PMID:27478859

  18. X-ray scattering measurements from thin-foil x-ray mirrors

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; BYRNAK, BP; Hornstrup, Allan;

    1992-01-01

    Thin foil X-ray mirrors are to be used as the reflecting elements in the telescopes of the X-ray satellites Spectrum-X-Gamma (SRG) and ASTRO-D. High resolution X-ray scattering measurements from the Au coated and dip-lacquered Al foils are presented. These were obtained from SRG mirrors positioned...... in a test quadrant of the telescope structure and from ASTRO-D foils held in a simple fixture. The X-ray data is compared with laser data and other surface structure data such as STM, atomic force microscopy (AFM), TEM, and electron micrography. The data obtained at Cu K-alpha(1), (8.05 keV) from all...

  19. Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity

    CERN Document Server

    Abdullah, Malik Muhammad; Son, Sang-Kil; Santra, Robin

    2016-01-01

    We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit we employ a Monte-Carlo (MC)-molecular dynamics (MD)-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units we simulate the diffraction pattern of a crystal larger than the transverse x-ray beam profile, a situation commonly encountered in femtosecond nanocrystallography experiments with focused x-ray free-electron laser radiation. Radiation damage is not spatially uniform and depends on the fluence associated with each specific region inside the crystal. To investigate the effects of uniform and non-uniform fluence distribution we have used two different spatial beam profiles, gaussian and flattop.

  20. An instrument for the collection of simultaneous small and wide angle x-ray scattering and stress-strain data during deformation of polymers at high strain rates using synchrotron radiation sources

    Science.gov (United States)

    Hughes, D. J.; Mahendrasingam, A.; Martin, C.; Oatway, W. B.; Heeley, E. L.; Bingham, S. J.; Fuller, W.

    1999-10-01

    A fully integrated system has been developed which allows the study of the deformation of synthetic polymers by simultaneous small- and wide-angle x-ray scattering (SAXS/WAXS) and stress-strain techniques at synchrotron radiation sources. Two-dimensional x-ray data collection is achieved via two charge coupled device based area detectors which provide video signal outputs. A video extensometer provides sample strain and cross-section data during deformation. All three video signals are processed by a powerful Synoptics i860 processor based video framegrabber, with no loss of data. With this data collection strategy a temporal resolution of 40 ms is possible. In order to study the mechanical yield of the sample, a bridge-type strain gauge is used which reveals the sample loading. An electronic trigger mechanism provides accurate synchronization of the x-ray data, sample video data, sample loading information and controls the onset of deformation. Two experiments are highlighted showing the drawing of polyethylene at an overall rate of ≈10 s-1. By analysis of the sample video data it is possible to correlate the SAXS and WAXS data with specific points upon the true stress-strain curve. This novel system is shown to be a useful tool for the investigation of the deformation of polymers at rates that are relevant to industrial processing.

  1. X-ray Raman scattering with Bragg diffraction in a La-based superlattice

    OpenAIRE

    André, Jean-Michel; Jonnard, Philippe; Bonnelle, Christiane; O. Filatova, E.; Michaelsen, C.; Wiesmann, J

    2005-01-01

    11 pages The non-dispersed soft x-ray emission from a La/B4C periodic multilayer irradiated by monochromatic x-rays has been measured as a function of the incident photon energy in the 125-200 eV range for different scattering angles. We have observed a scattered intensity peak at incident energies which shift towards the low-energy side as the value of the scattering angle increases. These observations are interpreted as Raman scattering by the 5p level of lanthanum assisted by Bragg diff...

  2. Small angle X-ray scattering-based elucidation of the self-association mechanism of human insulin analogue lys(B29)(N(e)¿-carboxyheptadecanoyl) des(B30)

    DEFF Research Database (Denmark)

    Jensen, Malene Hillerup; Wahlund, Per-Olof; Toft, Katrine Nørgaard;

    2013-01-01

    Lys(B29)(N(e)¿-carboxyheptadecanoyl) des(B30) human insulin is an insulin analogue belonging to a class of analogues designed to form soluble depots in subcutis by self-association, aiming at a protracted action. On the basis of small angle X-ray scattering (SAXS) supplemented by a range of bioph......Lys(B29)(N(e)¿-carboxyheptadecanoyl) des(B30) human insulin is an insulin analogue belonging to a class of analogues designed to form soluble depots in subcutis by self-association, aiming at a protracted action. On the basis of small angle X-ray scattering (SAXS) supplemented by a range...... provide evidence of the in solution structure of the self-associated oligomer, which is a long straight rod composed of "tense" state insulin hexamers (T(6)-hexamers) as the smallest repeating unit. The smallest oligomer building block in the process is a T(6)T(6)-dihexamer. This tense dihexamer is formed...... by the allosteric change of the initial equilibrium between a proposed "relaxed" state R(6)-hexamer and an R(3)T(3)T(3)R(3)-dihexamer. The allosteric change from relaxed to tense is triggered by removal of phenol, mimicking subcutaneous injection. The data hence provide the first unequivocal evidence...

  3. X-ray scattering on layered silicates in polymeric matrices

    International Nuclear Information System (INIS)

    Nanocomposites based on polymeric matrices have been studied via small angle X-ray scattering with respect to the dispersion and the orientation of filler particles. Both natural and synthetic layered silicates were used as filler particles. For this purpose, a software was developed which allows to determine the size and the size distribution of nanoparticles with various geometries by analyzing small angle X-ray scattering data. In contrast to conventional software, the one developed and used here is based on free distribution functions, e.g. no particular size distribution is pre-supposed. By example of three different reference systems it could be shown that the software works reliably and accurately. Using the computer-based evaluation of scattering data, significantly more information can be obtained about the samples compared to classical analytical and numerical evaluation schemes. By means of this software, the inner structure of the microgel PVCUAAEM (Poly(N-Vinylcaprolactam- co-acetoacetoxyethylmethacrylat)) filled with a synthetic layered silicate was investigated as a function of temperature. For this temperature-sensitive microgelnanocomposite, the dispersion of the silicate layers was determined and a structural model was developed. It could be shown that with increasing temperature, the layers move closer together and, depending on the amount of filler content, the filler particles drift to the surface of the nanocomposites. Additionally, for higher filler contents the charged layered silicate prevents the typical reduction of the particle radius, which is otherwise observed with increasing temperature. For polyethylene filled with natural layered silicate, it could be shown that small angle X-ray scattering allows the quantitative evaluation of the orientation of platelet-shaped nanoparticles in a polymeric matrix. Based on spatially resolved measurements of injection-molded tensile bars, the degree of orientation could be determined quantitatively

  4. Probing the surface microstructure of layer-by-layer self-assembly chitosan/poly(l-glutamic acid) multilayers: A grazing-incidence small-angle X-ray scattering study.

    Science.gov (United States)

    Zhao, Nie; Yang, Chunming; Wang, Yuzhu; Zhao, Binyu; Bian, Fenggang; Li, Xiuhong; Wang, Jie

    2016-01-01

    This study characterized the surface structure of layer-by-layer self-assembly chitosan/poly(L-glutamic acid) multilayers through grazing-incidence small-angle X-ray scattering (GISAXS), X-ray reflectivity (XRR), and atomic force microscopy (AFM). A weakly long-period ordered structure along the in-plane direction was firstly observed in the polyelectrolyte multilayer by the GISAXS technique. This structure can be attributed to the specific domains on the film surface. In the domain, nanodroplets that were formed by polyelectrolyte molecules were orderly arranged along the free surface of the films. This ordered structure gradually disappeared with the increasing bilayer number because of the complex merging behavior of nanodroplets into large islands. Furthermore, resonant diffuse scattering became evident in the GISAXS patterns as the number of bilayers in the polyelectrolyte multilayer was increased. Notably, the lateral cutoff length of resonant diffuse scattering for these polyelectrolyte films was comparable with the long-period value of the ordered nanodroplets in the polyelectrolyte multilayer. Therefore, the nanodroplets could be considered as a basic transmission unit for structure propagation from the inner interface to the film surface. It suggests that the surface structure with length scale larger than the size of nanodroplets was partially complicated from the interface structure near the substrate, but surface structure smaller than the cutoff length was mainly depended on the conformation of nanodroplets. PMID:26478320

  5. New resonant inelastic X-ray scattering and coherent X-ray scattering station at UE49-SGM, BESSY II

    International Nuclear Information System (INIS)

    Soft x-ray scattering techniques are powerful probes for the understanding of nano- and atomic-scale phenomena, including magnetism, atomic motion and electronic structure. New beamline UE49-SGM and experimental stations are currently under construction, dedicated to the techniques of resonant inelastic x-ray scattering (RIXS) and coherent x-ray scattering (CXS). This facility will have the unique possibility to combine high-resolution spatial information studies with high-resolution chemically- and atomically-selective spectroscopy studies for a broad range of applications.

  6. A CdZnTe array for the detection of explosives in baggage by energy-dispersive X-ray diffraction signatures at multiple scatter angles

    Science.gov (United States)

    Malden, Catharine H.; Speller, Robert. D.

    2000-07-01

    CdZnTe detectors were used to collect energy-dispersive diffraction spectra at a range of scatter angles, from sheets of explosives hidden in baggage. It is shown that the combined information from these `signatures' can be used to determine whether an explosive sample is present or not. The geometrical configuration of the collimation and the position of the baggage within the scanner must be taken into careful consideration when optimising the capabilities of such a system. The CdZnTe array lends itself well to the detection of explosives in baggage since multiple signals may be collected simultaneously providing more rapid detection than achieved using a single detector.

  7. A CdZnTe array for the detection of explosives in baggage by energy-dispersive X-ray diffraction signatures at multiple scatter angles

    CERN Document Server

    Malden, C H

    2000-01-01

    CdZnTe detectors were used to collect energy-dispersive diffraction spectra at a range of scatter angles, from sheets of explosives hidden in baggage. It is shown that the combined information from these 'signatures' can be used to determine whether an explosive sample is present or not. The geometrical configuration of the collimation and the position of the baggage within the scanner must be taken into careful consideration when optimising the capabilities of such a system. The CdZnTe array lends itself well to the detection of explosives in baggage since multiple signals may be collected simultaneously providing more rapid detection than achieved using a single detector.

  8. Multiple scattering approach to X-ray absorption spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    In this paper we present the state of the art of the theoretical background needed for analyzing X-ray absorption spectra in the whole energy range. The multiple-scattering (MS) theory is presented in detail with some applications on real systems. We also describe recent progress in performing geometrical fitting of the XANES (X-ray absorption near-edge structure) energy region and beyond using a full multiple-scattering approach.

  9. Inelastic x-ray scattering at the National Synchrotron Light

    International Nuclear Information System (INIS)

    The research program at the inelastic x-ray scattering beamline at the National Synchrotron Light Source is focused on the study of elementary excitations in condensed matter with total energy resolution on the order of 0.1 eV to 1.0 eV. Results from selected experiments are reported to demonstrate the capability of the beamline as well as the information can be obtained from inelastic x- ray scattering experiments

  10. Coherent x-ray scattering from an optical grating

    International Nuclear Information System (INIS)

    X-ray speckles due to scattering of partially (transverse) coherent x rays from an optical reflection grating are observed. The speckles indicate the presence of surface inhomogeneities of the grating that are otherwise undetectable with either visible laser light or transversely incoherent x-ray scattering. Qualitative analysis of the speckle patterns provide information on the surface morphology of the grating. The underlying order due to the periodicity of the grating enhances the detection of the speckles. copyright 1998 American Institute of Physics

  11. A new x-ray scatter reduction method based on frequency division multiplexing x-ray imaging technique

    Science.gov (United States)

    Zhang, J.; Chang, S.; Lu, J. P.; Zhou, O.

    2012-03-01

    X-ray scatter may significantly degrade imaging performance in x-ray radiography applications, including flatpanel detector-based x-ray imaging, tomosynthesis, and cone-beam CT (CBCT), primarily due to their large projection field sizes. It results in soft tissue contrast reduction, potentially severe image artifacts, and increased patient dose. Several different approaches have been developed to reject the scatter contributions, including analytical calculation, empirical algorithms, Monte-Carlo simulation, blocker based measurement, and slot scan technique. We recently developed a new x-ray scatter rejection method based on nanotechnology-enabled frequency division multiplexing x-ray (FDMX) imaging technique. The key enabling technology is the carbon nanotube (CNT)-based multi-beam field emission x-ray (MBFEX) source technology. The proposed FDMX imaging system has a MBFEX source with an array of x-ray tubes. The x-ray radiation from each individual x-ray tube is modulated at a certain given frequency. The collimated x-ray beams passed through the object and were captured by a high speed x-ray detector. A demultiplexing algorithm was applied to reject the scatter radiation from the primary radiation based on their different modulation frequencies. The x-ray images generated by the FDMX imaging technique clearly demonstrated improved imaging quality in terms of lower scatter-to-primary-ratio (SPR) and higher contrast-to-noise-ratio (CNR). It shows great potential of improving x-ray imaging performance and reducing patient dose.

  12. Magnetic X-ray scattering from samarium

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.L. (School of Physics and Space Research, Univ. of Birmingham (United Kingdom)); Forgan, E.M. (School of Physics and Space Research, Univ. of Birmingham (United Kingdom)); Shaikh, S.J. (School of Physics and Space Research, Univ. of Birmingham (United Kingdom)); Tang, C.C. (Dept. of Physics, Univ. of Keele (United Kingdom)); Stirling, W.G. (Dept. of Physics, Univ. of Keele (United Kingdom)); Langridge, S. (Dept. of Physics, Univ. of Keele (United Kingdom)); Rollason, A.J. (Dept. of Physics, Univ. of Keele (United Kingdom)); Costa, M.M.R. (Physics Dept., Univ. de Coimbra (Portugal)); Cooper, M.J. (Dept. of Physics, Univ. of Warwick, Coventry (United Kingdom)); Zukowski, E. (Dept. of Physics, Univ. of Warwick, Coventry (United Kingdom)); Forsyth, J.B. (Dept. of Physics, Univ. of Warwick, Coventry (United Kingdom)); Fort, D. (School of Metallurgy and Materials, Univ. of Birmingham (United Kingdom))

    1993-10-01

    X-ray diffraction studies have been made of the antiferromagnetic ordering in the rare earth metal samarium, at the Synchrotron Radiation Source, Daresbury Laboratory. We have observed diffraction peaks which reflect the magnetic order on the hexagonal sites in the lattice and which are in agreement with previous neutron measurements. We have also observed the energy dependence of the resonant enhancement at both the L[sub III] and L[sub II] absorption edges of Sm. (orig.)

  13. X-ray Fluorescence Particle Size and Scattering Angle Considerations Preparatory Experiments for the Calibration and Interpretation of C1XS Data

    OpenAIRE

    Weider, S.Z.; Gow, J.; Joy, K. H.; Crawford, I. A.; Smith, D R; Holland, A. D.; Swinyard, B. M.

    2008-01-01

    ISRO’s Chandrayaan-1 mission to the Moon is due to be launched in April 2008. Part of its payload is C1XS, a compact X-ray fluorescence (XRF) spectrometer which will provide high quality elemental mapping of the lunar surface [1]. In flight, the input source (solar X-ray spectrum) will be measured by the accompanying XSM payload [2]. An ‘in-house’ IDL XRF modelling code (referred to as the ‘C1XS XRF code’ [3]), which is based on the methods of [4], will be used to convert the C1XS data from X...

  14. A filter based analyzer for studies of X-ray Raman scattering

    CERN Document Server

    Seidler, G T

    2001-01-01

    Non-resonant X-ray Raman scattering (XRS) with hard X-rays holds the potential for measuring local structure and local electronic properties around low-Z atoms in environments where traditional soft X-ray techniques are inapplicable. However, the small cross-section for XRS requires that experiments must simultaneously achieve high detection efficiency, large collection solid angles, and good energy resolution. We report here that a simple X-ray analyzer consisting of an absorber and a point-focusing spatial filter can be used to study some X-ray Raman near-edge features. This apparatus has greater than 10% detection efficiency, has an energy resolution of 8 eV, and can be readily extended to collection angles of more than 1 sr. We present preliminary measurements of the XRS from the nitrogen 1 s shell in pyrolitic boron nitride.

  15. The Dust Scattering Model Can Not Explain The Shallow X-ray Decay in GRB Afterglows

    CERN Document Server

    Shen, Rong-Feng; Kumar, Pawan; O'Brien, Paul T; Evans, Phil A

    2008-01-01

    A dust scattering model was recently proposed to explain the shallow X-ray decay (plateau) observed prevalently in Gamma-Ray Burst (GRB) early afterglows. In this model the plateau is the scattered prompt X-ray emission by the dust located close (about 10 to a few hundred pc) to the GRB site. In this paper we carefully investigate the model and find that the scattered emission undergoes strong spectral softening with time, due to the model's essential ingredient that harder X-ray photons have smaller scattering angle thus arrive earlier, while softer photons suffer larger angle scattering and arrive later. The model predicts a significant change, i.e., $\\Delta \\beta \\sim 2 - 3$, in the X-ray spectral index from the beginning of the plateau toward the end of the plateau, while the observed data shows close to zero softening during the plateau and the plateau-to-normal transition phase. The scattering model predicts a big difference between the harder X-ray light curve and the softer X-ray light curve, i.e., th...

  16. Dimyristoylphosphatidylcholine/C16 : 0-ceramide binary liposomes studied by differential scanning calorimetry and wide- and small-angle X-ray scattering

    DEFF Research Database (Denmark)

    Holopainen, J.M.; Lemmich, J.; Richter, F.;

    2000-01-01

    hydrated binary membranes composed of dimyristoylphosphatidylcholine (DMPC) and N-palmitoyl-ceramide (C16:0-ceramide, up to a mole fraction X-cer = 0.35) were resolved in further detail by high-sensitivity differential scanning calorimetry (DSC) and x-ray diffraction. Both methods reveal very strong...

  17. Superhydrophobic surfaces allow probing of exosome self organization using X-ray scattering

    Science.gov (United States)

    Accardo, Angelo; Tirinato, Luca; Altamura, Davide; Sibillano, Teresa; Giannini, Cinzia; Riekel, Christian; di Fabrizio, Enzo

    2013-02-01

    Drops of exosome dispersions from healthy epithelial colon cell line and colorectal cancer cells were dried on a superhydrophobic PMMA substrate. The residues were studied by small- and wide-angle X-ray scattering using both a synchrotron radiation micrometric beam and a high-flux table-top X-ray source. Structural differences between healthy and cancerous cells were detected in the lamellar lattices of the exosome macro-aggregates.Drops of exosome dispersions from healthy epithelial colon cell line and colorectal cancer cells were dried on a superhydrophobic PMMA substrate. The residues were studied by small- and wide-angle X-ray scattering using both a synchrotron radiation micrometric beam and a high-flux table-top X-ray source. Structural differences between healthy and cancerous cells were detected in the lamellar lattices of the exosome macro-aggregates. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr34032e

  18. Low-resolution structure of the full-length barley (Hordeum vulgare SGT1 protein in solution, obtained using small-angle X-ray scattering.

    Directory of Open Access Journals (Sweden)

    Michał Taube

    Full Text Available SGT1 is an evolutionarily conserved eukaryotic protein involved in many important cellular processes. In plants, SGT1 is involved in resistance to disease. In a low ionic strength environment, the SGT1 protein tends to form dimers. The protein consists of three structurally independent domains (the tetratricopeptide repeats domain (TPR, the CHORD- and SGT1-containing domain (CS, and the SGT1-specific domain (SGS, and two less conserved variable regions (VR1 and VR2. In the present study, we provide the low-resolution structure of the barley (Hordeum vulgare SGT1 protein in solution and its dimer/monomer equilibrium using small-angle scattering of synchrotron radiation, ab-initio modeling and circular dichroism spectroscopy. The multivariate curve resolution least-square method (MCR-ALS was applied to separate the scattering data of the monomeric and dimeric species from a complex mixture. The models of the barley SGT1 dimer and monomer were formulated using rigid body modeling with ab-initio structure prediction. Both oligomeric forms of barley SGT1 have elongated shapes with unfolded inter-domain regions. Circular dichroism spectroscopy confirmed that the barley SGT1 protein had a modular architecture, with an α-helical TPR domain, a β-sheet sandwich CS domain, and a disordered SGS domain separated by VR1 and VR2 regions. Using molecular docking and ab-initio protein structure prediction, a model of dimerization of the TPR domains was proposed.

  19. Workshop report on new directions in x-ray scattering

    International Nuclear Information System (INIS)

    This report is a summary of the Workshop on New Directions in X-Ray Scattering held at the Asilomar Conference Center, Pacific Grove, California, April 2-5, 1985. The report primarily consists of the edited transcript of the final review session of the workshop, in which members of a panel summarized the proceedings. It is clear that we are close to achieving an accurate theory of scattering in independent particle approximation, but for edge regions, there is need to go beyond this approach. Much of what is experimentally interesting in scattering is occurring between the photoabsorption edge and the photoelectric threshold. Applications in condensed matter and biological and chemical material studies are expanding, exploiting higher intensity sources and faster time resolution as in magnetic scattering and surface studies. Storage rings are now conventional sources, and new high-intensity beam lines are under development; the free electron laser is one of the more speculative sources. Recent work in x-ray scattering has led to advances in x-ray optics, and conversely, advances in x-ray optics have benefitted our understanding of x-ray scattering

  20. Superhydrophobic surfaces allow probing of exosome self organization using X-ray scattering

    KAUST Repository

    Accardo, Angelo

    2013-01-01

    Drops of exosome dispersions from healthy epithelial colon cell line and colorectal cancer cells were dried on a superhydrophobic PMMA substrate. The residues were studied by small- and wide-angle X-ray scattering using both a synchrotron radiation micrometric beam and a high-flux table-top X-ray source. Structural differences between healthy and cancerous cells were detected in the lamellar lattices of the exosome macro-aggregates. © 2013 The Royal Society of Chemistry.

  1. Sub-pixel porosity revealed by x-ray scatter dark field imaging

    Science.gov (United States)

    Revol, V.; Jerjen, I.; Kottler, C.; Schütz, P.; Kaufmann, R.; Lüthi, T.; Sennhauser, U.; Straumann, U.; Urban, C.

    2011-08-01

    X-ray scatter dark field imaging based on the Talbot-Lau interferometer allows for the measurement of ultra-small angle x-ray scattering. The latter is related to the variations in the electron density in the sample at the sub- and micron-scale. Therefore, information on features of the object below the detector resolution can be revealed. In this article, it is demonstrated that scatter dark field imaging is particularly adapted to the study of a material's porosity. An interferometer, optimized for x-ray energies around 50 keV, enables the investigation of aluminum welding with conventional laboratory x-ray tubes. The results show an unprecedented contrast between the pool and the aluminum workpiece. Our conclusions are confirmed due to micro-tomographic three-dimensional reconstructions of the same object with a microscopic resolution.

  2. Scattered x-rays in medical diagnostics

    Science.gov (United States)

    Kumakhov, M. A.; Gamaliy, A. F.; Vasiliev, V. N.; Zaytsev, M. Y.; Zaytseva, K. V.; Markelov, A. A.; Ozerov, Yu. V.

    2005-07-01

    The VolumeScope, a prototype X-ray scanner based on Compton backscatter detection, is described. The device was designed for measurement of 3D electron density distribution of biological objects. General principles and technical parameters of the device are presented. A few test phantoms and biological objects were examined to evaluate an image quality of the device: a human forearm phantom, a CT calibration phantom and a young pig. 3D electron density distributions were reconstructed and represented as gray-scale sections and 3D surfaces of internal structures. Cartilages, bones, and other internal objects inside the pig head are well visible. Electron density contrast of bones in the objects is in qualitative agreement with real parameters of used tissue-equivalent materials. Some underestimation of the electron density was obtained in deep slices and most pronounced under the bones.

  3. Synchrotron Small Angle X-Ray Scattering Quantitatively Detects Angstrom Level Changes in the Average Radius of Taxol-Stabilized Microtubules Decorated with the Microtubule-Associated-Protein Tau

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Myung Chul; Raviv, Uri; Needleman, Daniel J; Safinya, Cyrus R [Materials Department, University of California Santa Barbara, CA 93106 (United States); Li, Youli [Materials Research Laboratory, University of California Santa Barbara, CA 93106 (United States); Miller, Herbert P; Wilson, Leslie; Feinstein, Stuart C [Molecular, Cellular, and Developmental Biology Departments, University of California Santa Barbara, CA 93106 (United States); Kim, Mahn Won, E-mail: myungchul.choi@gmail.com, E-mail: safinya@mrl.ucsb.edu [Department of Physics, KAIST, Daejeon 305-701, S. Korea (Korea, Republic of)

    2011-01-01

    With the emerging proteomics era the scientific community is beginning the daunting task of understanding the structures and functions of a large number of self-assembling proteins. Here, our study was concerned with the effect of the microtubule-associated-protein (MAP) tau on the assembled structure of taxol-stabilized microtubules. Significantly, the synchrotron small angle x-ray scattering (SAXS) technique is able to quantitatively detect angstrom level changes in the average diameter of the microtubules modeled as a simple hollow nanotube with a fixed wall thickness. We show that the electrostatic binding of MAP tau isoforms to taxol-stabilized MTs leads to a controlled increase in the average radius of microtubules with increasing coverage of tau on the MT surface. The increase in the average diameter results from an increase in the distribution of protofilament numbers in MTs upon binding of MAP tau.

  4. Determination of the size and phase composition of silver nanoparticles in a gel film of bacterial cellulose by small-angle X-ray scattering, electron diffraction, and electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Volkov, V. V.; Klechkovskaya, V. V., E-mail: klechvv@ns.crys.ras.ru; Shtykova, E. V.; Dembo, K. A.; Arkharova, N. A.; Ivakin, G. I. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Smyslov, R. Yu. [Russian Academy of Sciences, Institute of Macromolecular Compounds (Russian Federation)

    2009-03-15

    The nanoscale structural features in a composite (gel film of Acetobacter Xylinum cellulose with adsorbed silver nanoparticles, stabilized by N-polyvinylpyrrolidone) have been investigated by small-angle X-ray scattering. The size distributions of inhomogeneities in the porous structure of the cellulose matrix and the size distributions of silver nanoparticles in the composite have been determined. It is shown that the sizes of synthesized nanoparticles correlate with the sizes of inhomogeneities in the gel film. Particles of larger size (with radii up to 100 nm) have also been found. Electron microscopy of thin cross sections of a dried composite layer showed that large particles are located on the cellulose layer surface. Electron diffraction revealed a crystal structure of silver nanoparticles in the composite.

  5. Numerical simulation for all-optical Thomson scattering X-ray source

    Science.gov (United States)

    Tan, Fang; Zhu, Bin; Han, Dan; Xin, Jian-Ting; Zhao, Zong-Qing; Cao, Lei-Feng; Gu, Yu-Qiu; Zhang, Bao-Han

    2014-03-01

    Energy spectra, angular distributions, and temporal profiles of the photons produced by an all-optical Thomson scattering X-ray source are explored through numerical simulations based on the parameters of the SILEX-I laser system (800 nm, 30 fs, 300 TW) and the previous wakefield acceleration experimental results. The simulation results show that X-ray pulses with a duration of 30 fs and an emission angle of 50 mrad can be produced from such a source. Using the optimized electron parameters, X-ray pulses with better directivity and narrower energy spectra can be obtained. Besides the electron parameters, the laser parameters such as the wavelength, pulse duration, and spot size also affect the X-ray yield, the angular distribution, and the maximum photon energy, except the X-ray pulse duration which is slightly changed for the case of ultrafast laser—electron interaction.

  6. X-ray diffraction at Bragg angles around π/2

    International Nuclear Information System (INIS)

    X-ray diffraction at Bragg angles around π/2 is studied from the theoretical and experimental points of view. The proposed corrections to the dynamical theory in the θβ ≅ π/2 cases, has been reviewed showing the equivalence between two formalisms leading to a corrected expression for the dependence of the angular parameter y with the angle of incidence. An expression for y valid in the conventional and θ β ≅ π/2 cases has been obtained. A general expression for Bragg law and for energy resolution after a Bragg diffraction was also deduced. (author)

  7. Dense Plasma X-ray Scattering: Methods and Applications

    Energy Technology Data Exchange (ETDEWEB)

    Glenzer, S H; Lee, H J; Davis, P; Doppner, T; Falcone, R W; Fortmann, C; Hammel, B A; Kritcher, A L; Landen, O L; Lee, R W; Munro, D H; Redmer, R; Weber, S

    2009-08-19

    We have developed accurate x-ray scattering techniques to measure the physical properties of dense plasmas. Temperature and density are inferred from inelastic x-ray scattering data whose interpretation is model-independent for low to moderately coupled systems. Specifically, the spectral shape of the non-collective Compton scattering spectrum directly reflects the electron velocity distribution. In partially Fermi degenerate systems that have been investigated experimentally in laser shock-compressed beryllium, the Compton scattering spectrum provides the Fermi energy and hence the electron density. We show that forward scattering spectra that observe collective plasmon oscillations yield densities in agreement with Compton scattering. In addition, electron temperatures inferred from the dispersion of the plasmon feature are consistent with the ion temperature sensitive elastic scattering feature. Hence, theoretical models of the static ion-ion structure factor and consequently the equation of state of dense matter can be directly tested.

  8. Authentication of vegetable oils by confocal X-ray scattering analysis with coherent/incoherent scattered X-rays.

    Science.gov (United States)

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi

    2016-11-01

    This paper presents an alternative analytical method based on the Rayleigh to Compton scattering intensity ratio and effective atomic number for non-destructive identification of vegetable oils using confocal energy dispersive X-ray fluorescence and scattering spectrometry. A calibration curve for the Rayleigh to Compton scattering intensity ratio and effective atomic number was constructed on the basis of a reliable physical model for X-ray scattering. The content of light elements, which are "invisible" using X-ray fluorescence, can be calculated "by difference" from the calibration curve. In this work, we demonstrated the use of this proposed approach to identify complex organic matrices in different vegetable oils with high precision and accuracy. PMID:27211668

  9. Imaging X-ray Thomson Scattering Spectrometer Design and Demonstration

    Energy Technology Data Exchange (ETDEWEB)

    Gamboa, E.J. [University of Michigan; Huntington, C.M. [University of Michigan; Trantham, M.R. [University of Michigan; Keiter, P.A [University of Michigan; Drake, R.P. [University of Michigan; Montgomery, David [Los Alamos National Laboratory; Benage, John F. [Los Alamos National Laboratory; Letzring, Samuel A. [Los Alamos National Laboratory

    2012-05-04

    In many laboratory astrophysics experiments, intense laser irradiation creates novel material conditions with large, one-dimensional gradients in the temperature, density, and ionization state. X-ray Thomson scattering is a powerful technique for measuring these plasma parameters. However, the scattered signal has previously been measured with little or no spatial resolution, which limits the ability to diagnose inhomogeneous plasmas. We report on the development of a new imaging x-ray Thomson spectrometer (IXTS) for the Omega laser facility. The diffraction of x-rays from a toroidally-curved crystal creates high-resolution images that are spatially resolved along a one-dimensional profile while spectrally dispersing the radiation. This focusing geometry allows for high brightness while localizing noise sources and improving the linearity of the dispersion. Preliminary results are presented from a scattering experiment that used the IXTS to measure the temperature profile of a shocked carbon foam.

  10. Magnetism in heterogeneous thin film systems: Resonant X-ray scattering studies

    CERN Document Server

    Kortright, J B; Bader, S D; Hellwig, O; Marguiles, D T; Fullerton, E E

    2003-01-01

    Magnetic and chemical heterogeneity are common in a broad range of magnetic thin film systems. Emerging resonant soft X-ray scattering techniques are well suited to resolve such heterogeneity at relevant length scales. Resonant X-ray magneto-optical Kerr effect measurements laterally average over heterogeneity but can provide depth resolution in different ways, as illustrated in measurements resolving reversible and irreversible changes in different layers of exchange-spring heterostructures. Resonant small-angle scattering measures in-plane heterogeneity and can resolve magnetic and chemical scattering sources in different ways, as illustrated in measurements of granular alloy recording media.

  11. Electronic Structure of Dense Plasmas by X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gregori, G; Glenzer, S H; Rogers, F J; Pollaine, S M; Froula, D H; Blancard, C; Faussurier, G; Renaudin, P; Kuhlbrodt, S; Redmer, R; Landen, O L

    2003-10-07

    We present an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. We use our theory to interpret x-ray scattering experiments from solid density carbon plasma and to extract accurate measurements of electron temperature, electron density and charge state. We use our experimental results to validate various equation-of-state models for carbon plasmas.

  12. A hard X-ray polarimeter utilizing Compton scattering

    Science.gov (United States)

    Sakurai, H.; Noma, M.; Niizeki, H.

    1991-01-01

    The paper describes a 50-cm-diam prototype of a novel Compton-scattering-type polarimeter for hard X-rays in the energy range 30-100 keV. The characteristics of the prototype polarimeter were investigated for various conditions. It was found that, with polarized X-rays from a simple polarizer, the detection efficiency and the modulation factor of the polarimeter with a 40-mm thick scatterer were 3.2 percent and 0.57 percent, respectively, at about 60 keV.

  13. Time-resolved and in-situ X-ray scattering methods beyond photoactivation: Utilizing high-flux X-ray sources for the study of ubiquitous non-photoactive proteins.

    Science.gov (United States)

    Jain, Rohit; Techert, Simone

    2016-01-01

    X-ray scattering technique, comprising of small-angle/wide-angle X-ray scattering (SAXS/WAXS) techniques is increasingly used to characterize the structure and interactions of biological macromolecules and their complexes in solution. It is a method of choice to characterize the flexible, partially folded and unfolded protein systems. X-ray scattering is the last resort for proteins that cannot be investigated by crystallography or NMR and acts as a complementary technique with different biophysical techniques to answer challenging scientific questions. The marriage of the X-ray scattering technique with the fourth dimension "time" yields structural dynamics and kinetics information for protein motions in hierarchical timescales from picoseconds to days. The arrival of the high-flux X-ray beam at third generation synchrotron sources, exceptional X-ray optics, state-of-the-art detectors, upgradation of X-ray scattering beamlines with microfluidics devices and advanced X-ray scattering data analysis procedures are the important reasons behind the shining years of X-ray scattering technique. The best days of the X-ray scattering technique are on the horizon with the advent of the nanofocus X-ray scattering beamlines and fourth generation X-ray lightsources, i.e., free electron lasers (XFELs). Complementary to the photon-triggered time-resolved X-ray scattering techniques, we will present an overview of the time-resolved and in-situ X-ray scattering techniques for structural dynamics of ubiquitous non-photoactive proteins.

  14. Modeling the amorphous structure of mechanically alloyed Ti{sub 50}Ni{sub 25}Cu{sub 25} using anomalous wide-angle x-ray scattering and reverse Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lima, J.C. de, E-mail: fsc1jcd@fisica.ufsc.br [Departamento de Física, Universidade Federal de Santa Catarina, Campus Universitário Trindade, S/N, C.P. 476, 88040-900 Florianópolis, Santa Catarina (Brazil); Poffo, C.M. [Departamento de Engenharia Mecânica, Universidade Federal de Santa Catarina, Campus Universitário Trindade, S/N, C.P. 476, 88040-900 Florianópolis, Santa Catarina (Brazil); Departamento de Física, Universidade Federal do Amazonas, 3000 Japiim, 69077-000 Manaus, Amazonas (Brazil); Souza, S.M. [Departamento de Física, Universidade Federal do Amazonas, 3000 Japiim, 69077-000 Manaus, Amazonas (Brazil); Machado, K.D. [Departamento de Física, Centro Politécnico, Universidade Federal do Paraná, 81531-990 Curitiba, Paraná (Brazil); Trichês, D.M. [Departamento de Física, Universidade Federal do Amazonas, 3000 Japiim, 69077-000 Manaus, Amazonas (Brazil); Grandi, T.A. [Departamento de Física, Universidade Federal de Santa Catarina, Campus Universitário Trindade, S/N, C.P. 476, 88040-900 Florianópolis, Santa Catarina (Brazil); Biasi, R.S. de [Seção de Engenharia Mecânica e de Materiais, Instituto Militar de Engenharia, 22290-270 Rio de Janeiro, RJ (Brazil)

    2013-09-01

    An amorphous Ti{sub 50}Ni{sub 25}Cu{sub 25} alloy was produced by 19 h of mechanical alloying. Anomalous wide angle x-ray scattering data were collected at six energies and six total scattering factors were obtained. By considering the data collected at two energies close to the Ni and Cu K edges, two differential anomalous scattering factors about the Ni and Cu atoms were obtained, showing that the chemical environments around these atoms are different. Eight factors were used as input data to the reverse Monte Carlo method used to compute the partial structure factors S{sub Ti3Ti}(K), S{sub Ti–Cu}(K), S{sub Ti–Ni}(K), S{sub Cu3Cu}(K), S{sub Cu–Ni}(K) and S{sub Ni–Ni}(K) and the partial pair distribution functions G{sub Ti3Ti}(r), G{sub Ti–Cu}(r), G{sub Ti–Ni}(r), G{sub Cu3Cu}(r), G{sub Cu–Ni}(r) and G{sub Ni–Ni}(r). From the RMC final atomic configuration and G{sub ij}(r) functions, the coordination numbers and interatomic atomic distances for the first neighbors were determined.

  15. Cosmological X-ray Scattering from Intergalactic Dust

    CERN Document Server

    Corrales, Lia

    2012-01-01

    High resolution X-ray imaging offers a unique opportunity to probe the nature of dust in the z ~< 2 universe. Dust grains 0.1- 1 um in size will scatter soft X-rays, producing a diffuse "halo" image around an X-ray point source, with a brightness ~ few % confined to an arcminute-sized region. We derive the formulae for scattering in a cosmological context and calculate the surface brightness of the scattering halo due to (i) an IGM uniformly enriched (Omega_ d ~ 10^-5) by a power-law distribution of grain sizes, and (ii) a DLA-type (N_H ~ 10^21 cm^-2) dust screen at cosmological distances. The morphology of the surface brightness profile can distinguish between the two scenarios above, place size constraints on dusty clumps, and constrain the homogeneity of the IGM. Thus X-ray scattering can gauge the relative contribution of the first stars, dwarf galaxies, and galactic outflows to the cosmic metallicity budget and cosmic history of dust. We show that, because the amount of intergalactic scattering is ove...

  16. Structural studies using X-ray absorption and scattering techniques

    International Nuclear Information System (INIS)

    The thesis presents extended X-ray absorption fine structure, EXAFS, and large angle X-ray scattering, LAXS, techniques; instrumentation, data collection and reduction, and applications. These techniques have been used to determine the structures of magnesium halides and organomagnesium halides in diethyl ether and tetrahydrofuran solution. The iodides were used for the LAXS measurements and Br K edge EXAFS data were collected for the corresponding bromides. Two different complexes are present in the diethyl ether solution of magnesium iodide; a polymeric chain-type structure where magnesium is tetrahedrally coordinated, as well as dimeric complex with octahedrally coordinated magnesium. Solvated MgI+ is the dominating species in tetrahydrofuran solution. The organomagnesium halides are present in diethyl ether solution as both solvated monomeric and dimeric complexes. Magnesium coordinates a halide ion, an alkyl or aryl group and four solvent molecules octahedrally in the monomeric complex. In the dimeric complex magnesium is octahedrally coordinated by two bridging halide ions, an alkyl or aryl group and three solvent molecules. The distribution of monomeric and dimeric complexes in various solutions are given by a dimerisation constant, Kdl. The results indicate that the Schlenk equilibrium is present in these solutions, however, in an extended form. In diethyl ether solution, where MgX2 does not dissociate, no MgX2 complex and thereby no Schlenk equilibrium has been observed. In tetrahydrofuran solution MgI2 has dissociated into mainly MgI+ and I-. This indicates that the concentration of MgI2 is low and that the Schlenk equilibrium should be expanded even further to include the dissociation equilibrium of the magnesium halide. In the thesis Fe K edge EXAFS data collected for the semireduced form of protein A of methane monooxygenase from Methylococcus capsulatus, are also presented. (139 refs.)

  17. Multiple-scattering calculations of x-ray-absorption spectra

    International Nuclear Information System (INIS)

    A high-order multiple-scattering (MS) approach to the calculation of polarized x-ray-absorption spectra, which includes both x-ray-absorption fine structure and x-ray-absorption near-edge structure, is presented. Efficient calculations in arbitrary systems are carried out by using a curved-wave MS path formalism that ignores negligible paths, and has an energy-dependent self-energy and MS Debye-Waller factors. Embedded-atom background absorption calculations on an absolute energy scale are included. The theory is illustrated for metallic Cu, Cd, and Pt. For these cases the MS expansion is found to converge to within typical experimental accuracy, both to experiment and to full MS theories (e.g., band structure), by using only a few dozen important paths, which are primarily single-scattering, focusing, linear, and triangular

  18. Structural and magnetic properties of inverse opal photonic crystals studied by x-ray diffraction, scanning electron microscopy, and small-angle neutron scattering

    NARCIS (Netherlands)

    Grigoriev, S.V.; Napolskii, K.S.; Grigoryeva, N.A.; Vasilieva, A.V.; Mistonov, A.A.; Chernyshov, D.Y.; Petukhov, A.V.; Belov, D.V.; Eliseev, A.A.; Lukashin, A.V.; Tretyakov, Y.D.; Sinitskii, A.S.; Eckerlebe, H.

    2009-01-01

    The structural and magnetic properties of nickel inverse opal photonic crystal have been studied by complementary experimental techniques, including scanning electron microscopy, wide-angle and small-angle diffraction of synchrotron radiation, and polarized neutrons. The sample was fabricated by ele

  19. Magnetic X-Ray Scattering with Synchrotron Radiation

    DEFF Research Database (Denmark)

    Moncton, D. E.; Gibbs, D.; Bohr, Jakob

    1986-01-01

    many complementary advantages. A brief review is presented of the history of magnetic X-ray scattering as well as recent results obtained in studies of the rare-earth magnet holmium with emphasis on instrumentational aspects. In particular, the development of a simple polarization analyzer...

  20. Operational properties of fluctuation X-ray scattering data

    Directory of Open Access Journals (Sweden)

    Erik Malmerberg

    2015-05-01

    Full Text Available X-ray scattering images collected on timescales shorter than rotation diffusion times using a (partially coherent beam result in a significant increase in information content in the scattered data. These measurements, named fluctuation X-ray scattering (FXS, are typically performed on an X-ray free-electron laser (XFEL and can provide fundamental insights into the structure of biological molecules, engineered nanoparticles or energy-related mesoscopic materials beyond what can be obtained with standard X-ray scattering techniques. In order to understand, use and validate experimental FXS data, the availability of basic data characteristics and operational properties is essential, but has been absent up to this point. In this communication, an intuitive view of the nature of FXS data and their properties is provided, the effect of FXS data on the derived structural models is highlighted, and generalizations of the Guinier and Porod laws that can ultimately be used to plan experiments and assess the quality of experimental data are presented.

  1. X-Ray Form Factor, Attenuation and Scattering Tables

    Science.gov (United States)

    SRD 66 X-Ray Form Factor, Attenuation and Scattering Tables (Web, free access)   This database collects tables and graphs of the form factors, the photoabsorption cross section, and the total attenuation coefficient for any element (Z <= 92).

  2. X-ray holography with an atomic scatterer.

    Science.gov (United States)

    Mityureva, A A; Smirnov, V V

    2016-08-01

    X-ray holography scheme with reference scatterer consisting of heavy atom as reference center and its link to an object consisting of several light atoms and using controlled variation of the alignment is represented. The scheme can reproduce an object in three dimensions with atomic resolution. The distorting factors of reconstruction are considered. PMID:27137096

  3. Basic X-ray scattering for soft matter

    CERN Document Server

    De Jeu, Wim H

    2016-01-01

    X-ray scattering is a well-established technique in materials science. Several excellent textbooks exist in the field, typically written by physicists who use mathematics to make things clear. Often these books do not reach students and scientists in the field of soft matter (polymers, liquid crystals, colloids, and self-assembled organic systems), who usually have a chemical-oriented background with limited mathematics. Moreover, often these people like to know more about x-ray scattering as a technique to be used, but do not necessarily intend to become an expert. This volume is unique in trying to accommodate both points. The aim of the book is to explain basic principles and applications of x-ray scattering in a simple way. The intention is a paperback of limited size that people will like to have on hand rather than on a shelf. Second, it includes a large variety of examples of x-ray scattering of soft matter with, at the end of each chapter, a more elaborate case study. Third, the book contains a separa...

  4. X-ray scattering from surfaces of organic crystals

    DEFF Research Database (Denmark)

    Gidalevitz, D.; Feidenhans'l, R.; Smilgies, D.-M.;

    1997-01-01

    X-ray scattering experiments have been performed on the surfaces of organic crystals. The (010) cleavage planes of beta-alanine and alpha-glycine were investigated, and both specular and off-specular crystal truncation rods were measured. This allowed a determination of the molecular layering...

  5. Effect of Viewing Angle on Super-Soft-Source X-Ray Spectra

    Science.gov (United States)

    Ness, Jan-Uwe

    2012-09-01

    The advent of the X-ray grating spectrometers has given new momentum to the studies of Super-Soft-Source (SSS) X-ray spectra in high resolution. Earlier CCD-type spectra only allow determinations of effective temperatures while in the grating spectra, lines and continuum can be resolved. I have studied the X-ray grating spectra of eight classical novae during their SSS phase, two of them candidates for recurrent novae, two established recurrent novae, and four permanent SSSs including the prototypes Cal 83 and Cal 87. I discovered two categories of SSSs: those dominated by emission lines (SSSe) and by absorption line (SSSa). All spectra contain photospheric continuum emission, indicated by the shape of a blackbody. For the majority of SSSe, the inclination angle is known, which are all greater than 75 degrees. I argue that the SSSe are high-inclination systems in which photospheric X-ray emission from the central source is partially blocked and scattered via Thompson scattering, which preserves the spectral shape of the continuum. Since the electrons in the scattering medium move at high velocities, photospheric absorption lines are smeared out and are therefore not seen. Additional emission lines are produced by resonant line scattering. The fact that only high inclination systems show these effects of scattering, the scattering material must be concentrated to the ecliptic plane. While in permanent SSSs, the accretion disk can explain this behavior, this result implies that in novae, the reformation of the accretion disk has already progressed to an advanced stage during their SSS phase. I argue that also the novae in low-inclination angle systems possess a reformed accretion disk. The viewing angle dependence requires non-symmetrical modeling approaches. Early disk reformation can also explain high-amplitude variations that have frequently been observed during the early SSS phase.

  6. X-ray Scattering Techniques for Characterization of Nanosystems in Lifescience

    Energy Technology Data Exchange (ETDEWEB)

    Saw, C K

    2005-04-11

    The intent of this chapter is to provide the basics of using x-ray diffraction techniques in order to obtain information on the structure and morphology of the nanosystems, and also to point out some of its strengths and weaknesses when compare to other characterization techniques. X-ray scattering examines over a wide range of density domains from a tenth to a thousandth angstrom. Essentially, this covers a whole range of condensed matter, including the structure and morphology of nanosystems, particularly useful for examining nanostructures in lifescience. This range of domain size requires both the wide-angle x-ray scattering (WAXS) and small-angle (SAXS) x-ray scattering techniques. Roughly WAXS covers from 2 nm down, and SAXS covers from .5 nm to 100 nm and possibly 1,000 nm for a finely tuned instrument. Brief theoretical description of both WAXS and SAXS will be given in this chapter. WAXS, by itself is a powerful technique in providing information on the crystallographic structure or lack of structure, atomic positions and sizes in a unit cell, to some extend, chemical compositions and as well as chemical stoichiometry. Examples of such experiments will also be given. In order to be able to describe the technique of x-ray scattering, some historical and theoretical background will be given in the hope of making this subject interesting and simple.

  7. Focusing polycapillary to reduce parasitic scattering for inelastic x-ray measurements at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Chow, P., E-mail: pchow@carnegiescience.edu; Xiao, Y. M.; Rod, E.; Bai, L. G.; Shen, G. Y.; Sinogeikin, S. [HPCAT, Geophysical Laboratory, Carnegie Institution of Washington, 9700 South Cass Avenue, Argonne, Illinois 60439 (United States); Gao, N. [Center for X-Ray Optics, University at Albany, State University of New York, 1400 Washington Avenue, Albany, New York 12222, USA and X-Ray Optical Systems, Inc., 90 Fuller Road, Albany, New York 12205 (United States); Ding, Y. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Mao, H.-K. [Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, District of Columbia 20015 (United States)

    2015-07-15

    The double-differential scattering cross-section for the inelastic scattering of x-ray photons from electrons is typically orders of magnitude smaller than that of elastic scattering. With samples 10-100 μm size in a diamond anvil cell at high pressure, the inelastic x-ray scattering signals from samples are obscured by scattering from the cell gasket and diamonds. One major experimental challenge is to measure a clean inelastic signal from the sample in a diamond anvil cell. Among the many strategies for doing this, we have used a focusing polycapillary as a post-sample optic, which allows essentially only scattered photons within its input field of view to be refocused and transmitted to the backscattering energy analyzer of the spectrometer. We describe the modified inelastic x-ray spectrometer and its alignment. With a focused incident beam which matches the sample size and the field of view of polycapillary, at relatively large scattering angles, the polycapillary effectively reduces parasitic scattering from the diamond anvil cell gasket and diamonds. Raw data collected from the helium exciton measured by x-ray inelastic scattering at high pressure using the polycapillary method are compared with those using conventional post-sample slit collimation.

  8. Resonance magnetic x-ray scattering study of erbium

    DEFF Research Database (Denmark)

    Sanyal, M.K.; Gibbs, D.; Bohr, J.;

    1994-01-01

    of this magnetic scattering and analyzed it using a simple model based on electric dipole and quadrupole transitions among atomic orbitals. The line shapes can be fitted to a magnetic structure combining both c-axis-modulated and basal-plane components. Below 18 K, we have observed unusual behavior......The magnetic phases of erbium have been studied by resonance x-ray-scattering techniques. When the incident x-ray energy is tuned near the L(III) absorption edge, large resonant enhancements of the magnetic scattering are observed above 18 K. We have measured the energy and polarization dependence...... of the magnetic scattering as a function of energy, whose origin is not understood....

  9. Dynamic angle selection in X-ray computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Dabravolski, Andrei, E-mail: andrei.dabravolski@uantwerpen.be [iMinds-Vision Lab, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Batenburg, Kees Joost, E-mail: joost.batenburg@uantwerpen.be [iMinds-Vision Lab, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Centrum Wiskunde and Informatica (CWI), Science Park 123, 1098 XG Amsterdam (Netherlands); Sijbers, Jan, E-mail: jan.sijbers@uantwerpen.be [iMinds-Vision Lab, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium)

    2014-04-01

    Highlights: • We propose the dynamic angle selection algorithm for CT scanning. • The approach is based on the concept of information gain over a set of solutions. • Projection angles are selected based on the already available projection data. • The approach can lead to more accurate results from fewer projections. - Abstract: In X-ray tomography, a number of radiographs (projections) are recorded from which a tomogram is then reconstructed. Conventionally, these projections are acquired equiangularly, resulting in an unbiased sampling of the Radon space. However, especially in case when only a limited number of projections can be acquired, the selection of the angles has a large impact on the quality of the reconstructed image. In this paper, a dynamic algorithm is proposed, in which new projection angles are selected by maximizing the information gain about the object, given the set of possible new angles. Experiments show that this approach can select projection angles for which the accuracy of the reconstructed image is significantly higher compared to the standard angle selections schemes.

  10. Visualizing a protein quake with time-resolved X-ray scattering at a free-electron laser

    DEFF Research Database (Denmark)

    Arnlund, David; Johansson, Linda C.; Wickstrand, Cecilia;

    2014-01-01

    We describe a method to measure ultrafast protein structural changes using time-resolved wide-angle X-ray scattering at an X-ray free-electron laser. We demonstrated this approach using multiphoton excitation of the Blastochloris viridis photosynthetic reaction center, observing an ultrafast global...

  11. Small-angle X-ray scattering analysis reveals the ATP-bound monomeric state of the ATPase domain from the homodimeric MutL endonuclease, a GHKL phosphotransferase superfamily protein.

    Science.gov (United States)

    Iino, Hitoshi; Hikima, Takaaki; Nishida, Yuya; Yamamoto, Masaki; Kuramitsu, Seiki; Fukui, Kenji

    2015-05-01

    DNA mismatch repair is an excision system that removes mismatched bases chiefly generated by replication errors. In this system, MutL endonucleases direct the excision reaction to the error-containing strand of the duplex by specifically incising the newly synthesized strand. Both bacterial homodimeric and eukaryotic heterodimeric MutL proteins belong to the GHKL ATPase/kinase superfamily that comprises the N-terminal ATPase and C-terminal dimerization regions. Generally, the GHKL proteins show large ATPase cycle-dependent conformational changes, including dimerization-coupled ATP binding of the N-terminal domain. Interestingly, the ATPase domain of human PMS2, a subunit of the MutL heterodimer, binds ATP without dimerization. The monomeric ATP-bound state of the domain has been thought to be characteristic of heterodimeric GHKL proteins. In this study, we characterized the ATP-bound state of the ATPase domain from the Aquifex aeolicus MutL endonuclease, which is a homodimeric GHKL protein unlike the eukaryotic MutL. Gel filtration, dynamic light scattering, and small-angle X-ray scattering analyses clearly showed that the domain binds ATP in a monomeric form despite its homodimeric nature. This indicates that the uncoupling of dimerization and ATP binding is a common feature among bacterial and eukaryotic MutL endonucleases, which we suggest is closely related to the molecular mechanisms underlying mismatch repair. PMID:25809295

  12. Crystal defect studies using x-ray diffuse scattering

    Energy Technology Data Exchange (ETDEWEB)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.

  13. X-ray and Neutron Scattering of Water.

    Science.gov (United States)

    Amann-Winkel, Katrin; Bellissent-Funel, Marie-Claire; Bove, Livia E; Loerting, Thomas; Nilsson, Anders; Paciaroni, Alessandro; Schlesinger, Daniel; Skinner, Lawrie

    2016-07-13

    This review article focuses on the most recent advances in X-ray and neutron scattering studies of water structure, from ambient temperature to the deeply supercooled and amorphous states, and of water diffusive and collective dynamics, in disparate thermodynamic conditions and environments. In particular, the ability to measure X-ray and neutron diffraction of water with unprecedented high accuracy in an extended range of momentum transfers has allowed the derivation of detailed O-O pair correlation functions. A panorama of the diffusive dynamics of water in a wide range of temperatures (from 400 K down to supercooled water) and pressures (from ambient up to multiple gigapascals) is presented. The recent results obtained by quasi-elastic neutron scattering under high pressure are compared with the existing data from nuclear magnetic resonance, dielectric and infrared measurements, and modeling. A detailed description of the vibrational dynamics of water as measured by inelastic neutron scattering is presented. The dependence of the water vibrational density of states on temperature and pressure, and in the presence of biological molecules, is discussed. Results about the collective dynamics of water and its dispersion curves as measured by coherent inelastic neutron scattering and inelastic X-ray scattering in different thermodynamic conditions are reported. PMID:27195477

  14. Mapping transitions between healthy and pathological lesions in human breast tissues by diffraction enhanced imaging computed tomography (DEI-CT) and small angle x-ray scattering (SAXS)

    Science.gov (United States)

    Conceição, A. L. C.; Antoniassi, M.; Geraldelli, W.; Poletti, M. E.

    2014-02-01

    In this work we have combined the DEI-CT and SAXS technique to study the transition between healthy and pathological breast tissues, which include benign and malignant lesions. The ability of DEI-CT to enhance the contrast between soft tissues was used to localize the tumor region in the sample. Then, the tumor region and its surroundings were scanned by SAXS in order to map the changes promoted by the neoplasias at nano-level.It was clearly observed that pathological tissues present distinguishable SAXS scattering profiles from those of normal tissue. These differences are mainly related to changes in arrangement and diameter of collagen fibrils, evaluated by the higher order of reflection peaks of these fibrils. Differences related to the peak intensities and the total scattered intensity were found by comparing the healthy and pathological regions. The 2nd order of collagen reflection arises only in the healthy region neighboring the benign lesion. A broader peak at q=0.16 nm-1 seems to characterize the malignant lesions. Finally, based on this information, the transition between healthy and pathological human breast tissues was mapped which allowed to get insights into the changes promoted by tumors during growth and progression.

  15. X-ray scattering in X-ray fluorescence spectra with X-ray tube excitation - Modelling, experiment, and Monte-Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hodoroaba, V.-D., E-mail: Dan.Hodoroaba@bam.d [BAM Federal Institute for Materials Research and Testing, Division VI.4 Surface Technologies, D-12200 Berlin (Germany); Radtke, M. [BAM Federal Institute for Materials Research and Testing, Division I.3 Structure Analysis, Polymer Analysis, D-12200 Berlin (Germany); Vincze, L. [Ghent University, Department of Analytical Chemistry, B-9000 Ghent (Belgium); Rackwitz, V.; Reuter, D. [BAM Federal Institute for Materials Research and Testing, Division VI.4 Surface Technologies, D-12200 Berlin (Germany)

    2010-12-15

    X-ray scattering may contribute significantly to the spectral background of X-ray fluorescence (XRF) spectra. Based on metrological measurements carried out with a scanning electron microscope (SEM) having attached a well characterised X-ray source (polychromatic X-ray tube) and a calibrated energy dispersive X-ray spectrometer (EDS) the accuracy of a physical model for X-ray scattering is systematically evaluated for representative samples. The knowledge of the X-ray spectrometer efficiency, but also of the spectrometer response functions makes it possible to define a physical spectral background of XRF spectra. Background subtraction relying on purely mathematical procedures is state-of-the-art. The results produced by the analytical model are at least as reliable as those obtained by Monte-Carlo simulations, even without considering the very challenging contribution of multiple scattering. Special attention has been paid to Compton broadening. Relevant applications of the implementation of the analytical model presented in this paper are the prediction of the limits of detection for particular cases or the determination of the transmission of X-ray polycapillary lenses.

  16. X-ray scattering in X-ray fluorescence spectra with X-ray tube excitation - Modelling, experiment, and Monte-Carlo simulation

    International Nuclear Information System (INIS)

    X-ray scattering may contribute significantly to the spectral background of X-ray fluorescence (XRF) spectra. Based on metrological measurements carried out with a scanning electron microscope (SEM) having attached a well characterised X-ray source (polychromatic X-ray tube) and a calibrated energy dispersive X-ray spectrometer (EDS) the accuracy of a physical model for X-ray scattering is systematically evaluated for representative samples. The knowledge of the X-ray spectrometer efficiency, but also of the spectrometer response functions makes it possible to define a physical spectral background of XRF spectra. Background subtraction relying on purely mathematical procedures is state-of-the-art. The results produced by the analytical model are at least as reliable as those obtained by Monte-Carlo simulations, even without considering the very challenging contribution of multiple scattering. Special attention has been paid to Compton broadening. Relevant applications of the implementation of the analytical model presented in this paper are the prediction of the limits of detection for particular cases or the determination of the transmission of X-ray polycapillary lenses.

  17. Photocreation of a quantum domain and its detection by inelastic X-ray scattering and X-ray CARS

    International Nuclear Information System (INIS)

    We briefly argue the concept of a quantum domain and propose its detection using X-ray inelastic scattering and X-ray coherent anti-Stokes Raman scattering (CARS). The quantum domain is defined as a spatial region of which the phase state is converted to a different one from that in the background. In a case where photoinduced phase transitions are allowed to exhibit, such a domain has a relatively low excitation energy and is expected to be detected experimentally. Especially the X-ray inelastic scattering and the CARS are attractive methods, since they can give information of both the momentum and the energy.

  18. Resonant magnetic scattering of polarized soft x rays

    Energy Technology Data Exchange (ETDEWEB)

    Sacchi, M. [Centre Universitaire Paris-Sud, Orsay (France); Hague, C.F. [Universite Pierre et Marie Curie, Paris (France); Gullikson, E.M.; Underwood, J. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    Magnetic effects on X-ray scattering (Bragg diffraction, specular reflectivity or diffuse scattering) are a well known phenomenon, and they also represent a powerful tool for investigating magnetic materials since it was shown that they are strongly enhanced when the photon energy is tuned across an absorption edge (resonant process). The resonant enhancement of the magnetic scattering has mainly been investigated at high photon energies, in order to match the Bragg law for the typical lattice spacings of crystals. In the soft X-ray range, even larger effects are expected, working for instance at the 2p edges of transition metals of the first row or at the 3d edges of rare earths (300-1500 eV), but the corresponding long wavelengths prevent the use of single crystals. Two approaches have been recently adopted in this energy range: (i) the study of the Bragg diffraction from artificial structures of appropriate 2d spacing; (ii) the analysis of the specular reflectivity, which contains analogous information but has no constraints related to the lattice spacing. Both approaches have their own specific advantages: for instance, working under Bragg conditions provides information about the (magnetic) periodicity in ordered structures, while resonant reflectivity can easily be related to electronic properties and absorption spectra. An important aspect common to all the resonant X-ray scattering techniques is the element selectivity inherent to the fact of working at a specific absorption edge: under these conditions, X-ray scattering becomes in fact a spectroscopy. Results are presented for films of iron and cobalt.

  19. Modeling X-Ray Scattering Process and Applications of the Scattering Model

    Science.gov (United States)

    Al-Jundi, Taher Lutfi

    1995-01-01

    Computer modeling of nondestructive inspections with x-rays is proving to be a very useful tool for enhancing the performance of these techniques. Two x-ray based inspection techniques are considered in this study. The first is "Radiographic Inspection", where an existing simulation model has been improved to account for scattered radiation effects. The second technique is "Inspection with Compton backscattering", where a new simulation model has been developed. The effect of scattered radiation on a simulated radiographic image can be insignificant, equally important, or more important than the effect of the uncollided flux. Techniques to account for the scattered radiation effects include Monte Carlo techniques, and solving the particle transport equation for photons. However, these two techniques although accurate, are computationally expensive and hence inappropriate for use in computer simulation of radiography. A less accurate approach but computationally efficient is the principle of buildup factors. Traditionally, buildup factors are defined for monoenergetic photons of energies typical of a nuclear reactor. In this work I have expanded the definition of buildup factors to include a bremsstrahlung spectrum of photons with energies typically used in radiography (keV's instead of MeV's). This expansion of the definition relies on an intensive experimental work to measure buildup factors for a white spectrum of x-rays. I have also developed a monte carlo code to reproduce the measured buildup factors. The code was then converted to a parallel code and distributed on a network of workstations to reduce the execution time. The second inspection technique is based on Compton backscattering, where photons are scattered at large angles, more than 90 degrees. The importance of this technique arises when the inspected object is very large, or when access is limited to only one side of the specimen. The downside of detecting photons from backscattering is the low

  20. Structural dynamics and ssDNA binding activity of the three N-terminal domains of the large subunit of Replication Protein A from small angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Pretto, Dalyir I.; Tsutakawa, Susan; Brosey, Chris A.; Castillo, Amalchi; Chagot, Marie-Eve; Smith, Jarrod A.; Tainer, John A.; Chazin, Walter J.

    2010-03-11

    Replication Protein A (RPA) is the primary eukaryotic ssDNA binding protein utilized in diverse DNA transactions in the cell. RPA is a heterotrimeric protein with seven globular domains connected by flexible linkers, which enable substantial inter-domain motion that is essential to its function. Small angle X-ray scattering (SAXS) experiments on two multi-domain constructs from the N-terminus of the large subunit (RPA70) were used to examine the structural dynamics of these domains and their response to the binding of ssDNA. The SAXS data combined with molecular dynamics simulations reveal substantial interdomain flexibility for both RPA70AB (the tandem high affinity ssDNA binding domains A and B connected by a 10-residue linker) and RPA70NAB (RPA70AB extended by a 70-residue linker to the RPA70N protein interaction domain). Binding of ssDNA to RPA70NAB reduces the interdomain flexibility between the A and B domains, but has no effect on RPA70N. These studies provide the first direct measurements of changes in orientation of these three RPA domains upon binding ssDNA. The results support a model in which RPA70N remains structurally independent of RPA70AB in the DNA bound state and therefore freely available to serve as a protein recruitment module.

  1. Revealing inner shell dynamics with inelastic X-ray scattering

    International Nuclear Information System (INIS)

    One of the many opportunities provided by the Advanced Photon Source (APS) is to extend the study of intra-atomic dynamics. As a means of testing dynamic response, inelastic x-ray scattering is particularly promising since it allows us to independently vary the period of the exciting field in both space and time. As an example of this type of work, the author presents experiments performed at the Cornell High Energy Synchrotron Source (CHESS) laboratory, a prototype for the APS. This was inner shell inelastic scattering with a twist: in order to explore a new distance scale an x-ray fluorescence trigger was employed. Aside for the atomic insight gained, the experiment taught them the importance of the time structure of the synchrotron beam for coincidence experiments which are dominated by accidental events

  2. X-ray and neutron scattering studies of complex confined fluids.

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, S. K.

    1999-08-04

    We review recent X-ray and neutron scattering studies of the structure and dynamics of confined complex fluids. This includes the study of polymer conformations and binary fluid phase transitions in porous media using Small Angle Neutron scattering, and the use of synchrotrons radiation to study ordering and fluctuation phenomena at solid/liquid and liquid/air interfaces. Ordering of liquids near a solid surface or in confinement will be discussed, and the study, via specular and off-specular X-ray reflectivity, of capillary wave fluctuations on liquid polymer films. Finally, we shall discuss the use of high-brilliance beams from X-ray synchrotrons to study via photon correlation spectroscopy the slow dynamics of soft condensed matter systems.

  3. X-ray scattering in X-ray fluorescence spectra with X-ray monochromatic, polarised excitation - Modelling, experiment, and Monte-Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hodoroaba, V.-D., E-mail: Dan.Hodoroaba@bam.de [BAM Federal Institute for Materials Research and Testing, Division 6.4 Surface Technologies, D-12200 Berlin (Germany); Radtke, M.; Reinholz, U.; Riesemeier, H. [BAM Federal Institute for Materials Research and Testing, Division 1.3 Structure Analysis, Polymer Analysis, D-12200 Berlin (Germany); Vincze, L. [Ghent University, Department of Analytical Chemistry, B-9000 Ghent (Belgium); Reuter, D. [BAM Federal Institute for Materials Research and Testing, Division 6.4 Surface Technologies, D-12200 Berlin (Germany)

    2011-07-01

    A systematic series of measurements has been carried out with monochromatic X-ray excitation with synchrotron radiation in order to check a physical model on X-ray scattering. The model has recently been successfully tested for the case of polychromatic, unpolarised excitation emitted by an X-ray tube. Our main purpose is the modelling of a physical background in X-ray fluorescence spectra, so that improved quantitative results can be achieved especially for strongly scattering specimens. The model includes single Rayleigh and Compton scattering in the specimen, the effect of bound electrons, the challenging Compton broadening and the polarisation degree. Representative specimens, measurement geometries and excitation energies have been selected with synchrotron monochromatic light at BAMline/BESSY II. Monte-Carlo simulations have been also carried out in order to evaluate the quality of the results achieved with the model.

  4. X-ray scattering in X-ray fluorescence spectra with X-ray monochromatic, polarised excitation - Modelling, experiment, and Monte-Carlo simulation

    International Nuclear Information System (INIS)

    A systematic series of measurements has been carried out with monochromatic X-ray excitation with synchrotron radiation in order to check a physical model on X-ray scattering. The model has recently been successfully tested for the case of polychromatic, unpolarised excitation emitted by an X-ray tube. Our main purpose is the modelling of a physical background in X-ray fluorescence spectra, so that improved quantitative results can be achieved especially for strongly scattering specimens. The model includes single Rayleigh and Compton scattering in the specimen, the effect of bound electrons, the challenging Compton broadening and the polarisation degree. Representative specimens, measurement geometries and excitation energies have been selected with synchrotron monochromatic light at BAMline/BESSY II. Monte-Carlo simulations have been also carried out in order to evaluate the quality of the results achieved with the model.

  5. Quick-Determination of the Average Atomic Number Z by X-Ray Scattering

    DEFF Research Database (Denmark)

    Kunzendorf, Helmar

    1972-01-01

    X-ray scattering ratio measurements are proposed for a quick determination of the average atomic number of rock powders.......X-ray scattering ratio measurements are proposed for a quick determination of the average atomic number of rock powders....

  6. CHEMICAL APPLICATIONS OF INELASTIC X-RAY SCATTERING

    Energy Technology Data Exchange (ETDEWEB)

    HAYASHI,H.; UDAGAWA,Y.; GILLET,J.M.; CALIEBE,W.A.; KAO,C.C.

    2001-08-01

    Inelastic x-ray scattering (IXS), complementary to other more established inelastic scattering probes, such as light scattering, electron scattering, and neutron scattering, is becoming an important experimental technique in the study of elementary excitations in condensed matters. Over the past decade, IXS with total energy resolution of few meV has been achieved, and is being used routinely in the study of phonon dispersions in solids and liquids as well as dynamics in disordered and biological systems. In the study of electronic excitations, IXS with total energy resolution on the order of 100 meV to 1 eV is gaining wider applications also. For example, IXS has been used to study collective excitations of valence electrons, single electron excitations of valence electrons, as well as core electron excitations. In comparison with the alternative scattering techniques mentioned above, IXS has several advantages. First, IXS probes the full momentum transfer range of the dielectric response of the sample, whereas light scattering is limited to very small momentum transfers, and electron scattering suffers the effects of multiple scattering at large momentum transfers. Second, since IXS measures the bulk properties of the sample it is not surface sensitive, therefore it does not require special preparation of the sample. The greater flexibility in sample conditions and environments makes IXS an ideal probe in the study of liquids and samples under extreme temperature, pressure, and magnetic field. Third, the tunability of synchrotron radiation sources enables IXS to exploit element specificity and resonant enhancement of scattering cross sections. Fourth, IXS is unique in the study of dynamics of liquids and amorphous solids because it can probe the particular region of energy-momentum transfer phase space, which is inaccessible to inelastic neutron scattering. On the other hand, the main disadvantages of IXS are the small cross sections and the strong absorption of

  7. Dense Matter Characterization by X-ray Thomson Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Landen, O L; Glenzer, S H; Edwards, M J; Lee, R W; Collins, G W; Cauble, R C; Hsing, W W; Hammel, B A

    2000-12-29

    We discuss the extension of the powerful technique of Thomson scattering to the x-ray regime for providing an independent measure of plasma parameters for dense plasmas. By spectrally-resolving the scattering, the coherent (Rayleigh) unshifted scattering component can be separated from the incoherent Thomson component, which is both Compton and Doppler shifted. The free electron density and temperature can then be inferred from the spectral shape of the high frequency Thomson scattering component. In addition, as the plasma temperature is decreased, the electron velocity distribution as measured by incoherent Thomson scattering will make a transition from the traditional Gaussian Boltzmann distribution to a density-dependent parabolic Fermi distribution to. We also present a discussion for a proof-of-principle experiment appropriate for a high energy laser facility.

  8. INELASTIC X-RAY SCATTERING AT ULTRAHIGH PRESSURES.

    Energy Technology Data Exchange (ETDEWEB)

    MAO, H.K.; HEMLEY, J.; KAO, C.C.

    2000-08-28

    Inelastic x-ray scattering (IXS) provides high-pressure research with an arsenal of analytical capabilities for key measurements that were previously unattainable, and high pressure research provides IXS with numerous applications where the technique has unique advantages over other methods. High-pressure investigations can now be conducted using non-resonant IXS, resonant IXS, nuclear resonant IXS, and x-ray emission spectroscopy with energy resolutions of 100 meV to 1 eV for electronic transitions and 1 to 10 meV for phonon studies. By pressure-tuning materials over a wide range, we are able to investigate fundamental physics of electron gases, strongly correlated electron systems, high-energy electronic excitations, and phonons in energy and momentum space. The results will have a profound influence on materials applications as well as providing basic information for understanding the deep interior of the Earth and other planets.

  9. 2011 U.S. National School on Neutron and X-ray Scattering

    International Nuclear Information System (INIS)

    The 13th annual U.S. National School on Neutron and X-ray Scattering was held June 11 to 25, 2011, at both Oak Ridge and Argonne National Laboratories. This school brought together 65 early career graduate students from 56 different universities in the US and provided them with a broad introduction to the techniques available at the major large-scale neutron and synchrotron x-ray facilities. This school is focused primarily on techniques relevant to the physical sciences, but also touches on cross-disciplinary bio-related scattering measurements. During the school, students received lectures by over 30 researchers from academia, industry, and national laboratories and participated in a number of short demonstration experiments at Argonne's Advanced Photon Source (APS) and Oak Ridge's Spallation neutron Source (SNS) and High Flux Isotope Reactor (HFIR) facilities to get hands-on experience in using neutron and synchrotron sources. The first week of this year's school was held at Oak Ridge National Lab, where Lab director Thom Mason welcomed the students and provided a shitorical perspective of the neutron and x-ray facilities both at Oak Ridge and Argonne. The first few days of the school were dedicated to lectures laying out the basics of scattering theory and the differences and complementarity between the neutron and x-ray probes given by Sunil Sinha. Jack Carpenter provided an introduction into how neutrons are generated and detected. After this basic introduction, the students received lectures each morning on specific techniques and conducted demonstration experiments each afternoon on one of 15 different instruments at either the SNS or HFIR. Some of the topics covered during this week of the school included inelastic neutron scattering by Bruce Gaulin, x-ray and neutron reflectivity by Chuck Majkrazak, small-angle scattering by Volker Urban, powder diffraction by Ashfia Huq and diffuse scattering by Gene Ice.

  10. Structure of liposome encapsulating proteins characterized by X-ray scattering and shell-modeling

    Energy Technology Data Exchange (ETDEWEB)

    Hirai, Mitsuhiro, E-mail: mhirai@gunma-u.ac.jp; Kimura, Ryota; Takeuchi, Kazuki; Hagiwara, Yoshihiko [Gunma University, 4-2 Aramaki, Maebashi, Gunma 371-8510 (Japan); Kawai-Hirai, Rika [Gunma University, 3-39-15 Shouwa, Maebashi 371-8512 (Japan); Ohta, Noboru [JASRI, 1-1-1 Kuoto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Igarashi, Noriyuki; Shimuzu, Nobutaka [KEK-PF, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan)

    2013-11-01

    Wide-angle X-ray scattering data using a third-generation synchrotron radiation source are presented. Lipid liposomes are promising drug delivery systems because they have superior curative effects owing to their high adaptability to a living body. Lipid liposomes encapsulating proteins were constructed and the structures examined using synchrotron radiation small- and wide-angle X-ray scattering (SR-SWAXS). The liposomes were prepared by a sequential combination of natural swelling, ultrasonic dispersion, freeze-throw, extrusion and spin-filtration. The liposomes were composed of acidic glycosphingolipid (ganglioside), cholesterol and phospholipids. By using shell-modeling methods, the asymmetric bilayer structure of the liposome and the encapsulation efficiency of proteins were determined. As well as other analytical techniques, SR-SWAXS and shell-modeling methods are shown to be a powerful tool for characterizing in situ structures of lipid liposomes as an important candidate of drug delivery systems.

  11. Small-angle x-ray scattering studies of calmodulin mutants with deletions in the linker region of the central helix indicate that the linker region retains a predominantly. alpha. -helical conformation

    Energy Technology Data Exchange (ETDEWEB)

    Kataoka, Mikio; Engelman, D.M. (Yale Univ., New Haven, CT (USA)); Head, J.F. (Boston Univ., MA (USA)); Persechini, A.; Kretsinger, R.H. (Univ. of Virginia, Charlottesville (USA))

    1991-02-05

    Two mutant forms of calmodulin were examined by small-angle X-ray scattering in solution and compared with the wild-type protein. Each mutant has deletions in the linker region of the central helix: one lacks residues Glu-83 and Glu-84 (Des2) and the other lacks residues Ser-81 through Glu-84 (Des4). The deletions change both the radii of gyration and the maximum dimensions of the molecules. In the presence of Ca{sup 2+}, the observed radii of gyration are 22.4 {angstrom} for wild-type bacterially expressed calmodulin, 19.5 {angstrom} for Des2 calmodulin, and 20.3 {angstrom} for Des4 calmodulin. A reduction in the radius of gyration by 1-2 {angstrom} on removal of calcium, previously observed in the native protein, was also found in the wild type and the Des4 mutant; however, no significant size change was observed in the Des2 mutant. The large calcium-dependent conformational change in calmodulin induced by the binding of melittin was observed in all the bacterially expressed proteins. Each protein appears to undergo a transition from a dumbbell shape to a more globular conformation on binding melittin in the presence of calcium, although quantitatively the changes in the wild-type and Des4 proteins greatly exceed those in Des2. Modeling shows that the structural properties of the deletion mutants are well described by modifications of an {alpha} helix in the central linker region of the molecule. Thus, the structure of the linker region is stable enough to maintain the average orientation and separation of the lobes yet flexible enough to permit the lobes to approach each other upon binding a peptide.

  12. Small-angle x-ray scattering studies of calmodulin mutants with deletions in the linker region of the central helix indicate that the linker region retains a predominantly α-helical conformation

    International Nuclear Information System (INIS)

    Two mutant forms of calmodulin were examined by small-angle X-ray scattering in solution and compared with the wild-type protein. Each mutant has deletions in the linker region of the central helix: one lacks residues Glu-83 and Glu-84 (Des2) and the other lacks residues Ser-81 through Glu-84 (Des4). The deletions change both the radii of gyration and the maximum dimensions of the molecules. In the presence of Ca2+, the observed radii of gyration are 22.4 angstrom for wild-type bacterially expressed calmodulin, 19.5 angstrom for Des2 calmodulin, and 20.3 angstrom for Des4 calmodulin. A reduction in the radius of gyration by 1-2 angstrom on removal of calcium, previously observed in the native protein, was also found in the wild type and the Des4 mutant; however, no significant size change was observed in the Des2 mutant. The large calcium-dependent conformational change in calmodulin induced by the binding of melittin was observed in all the bacterially expressed proteins. Each protein appears to undergo a transition from a dumbbell shape to a more globular conformation on binding melittin in the presence of calcium, although quantitatively the changes in the wild-type and Des4 proteins greatly exceed those in Des2. Modeling shows that the structural properties of the deletion mutants are well described by modifications of an α helix in the central linker region of the molecule. Thus, the structure of the linker region is stable enough to maintain the average orientation and separation of the lobes yet flexible enough to permit the lobes to approach each other upon binding a peptide

  13. Surface and subsurface oxidation of Mo2C/Mo(100): low-energy ion-scattering, auger electron, angle-resolved X-ray photoelectron, and mass spectroscopy studies.

    Science.gov (United States)

    Ovári, László; Kiss, János; Farkas, Arnold P; Solymosi, Frigyes

    2005-03-17

    The interaction of oxygen with a carburized Mo(100) surface was investigated at different temperatures (300-1000 K). The different information depths of low-energy ion-scattering (LEIS) spectroscopy, with topmost layer sensitivity, Auger electron spectroscopy (AES), and angle-resolved X-ray photoelectron spectroscopy (ARXPS) allowed us to discriminate between reactions on the topmost layer and subsurface transformations. According to ARXPS measurements, a carbide overlayer was prepared by the high-temperature decomposition of C(2)H(4) on Mo(100), and the carbon distribution proved to be homogeneous with a Mo(2)C stoichiometry down to the information depth of XPS. O(2) adsorbs dissociatively on the carbide layer at room temperature. One part of the chemisorbed oxygen is bound to both C and Mo sites, indicated by LEIS. Another fraction of oxygen atoms probably resides in the hollow sites not occupied by C. The removal of C from the outermost layer by O(2), in the form of CO, detected by mass spectroscopy (MS), was observed at 500-600 K. The carbon-depleted first layer is able to adsorb more oxygen compared to the Mo(2)C/Mo(100) surface. Applying higher doses of O(2) at 800 K results in the inward diffusion of O and the partial oxidation of Mo atoms. This process, however, is not accompanied by the removal of C from subsurface sites. The depletion of C from the bulk starts only at 900 K (as shown by MS, AES, and XPS), very probably by the diffusion of C to the surface followed by its reaction with oxygen. At T(ads) = 1000 K, the carbon content of the sample, down to the information depth of XPS, decreased further, accompanied by the attenuation of the C concentration gradient and a substantially decreased amount of oxygen.

  14. Buffer-induced swelling and vesicle budding in binary lipid mixtures of dioleoylphosphatidylcholine:dioleoylphosphatidylethanolamine and dioleoylphosphatidylcholine:lysophosphatidylcholine using small-angle X-ray scattering and ³¹P static NMR.

    Science.gov (United States)

    Barriga, Hanna M G; Bazin, Richard; Templer, Richard H; Law, Robert V; Ces, Oscar

    2015-03-17

    A large variety of data exists on lipid phase behavior; however, it is mostly in nonbuffered systems over nonbiological temperature ranges. We present biophysical data on lipid mixtures of dioleoylphosphatidylcholine (DOPC), dioleoylphosphatidylethanolamine (DOPE), and lysophosphatidylcholine (LysoPC) examining their behaviors in excess water and buffer systems over the temperature range 4-34 °C. These mixtures are commonly used to investigate the effects of spontaneous curvature on integral membrane proteins. Using small-angle X-ray scattering (SAXS) and (31)P NMR, we observed lamellar and vesicle phases, with the buffer causing an increase in the layer spacing. Increasing amounts of DOPE in a DOPC bilayer decreased the layer spacing of the mesophase, while the opposite trend was observed for increasing amounts of LysoPC. (31)P static NMR was used to analyze the DOPC:LysoPC samples to investigate the vesicle sizes present, with evidence of vesicle budding observed at LysoPC concentrations above 30 mol %. NMR line shapes were fitted using an adapted program accounting for the distortion of the lipids within the magnetic field. The distortion of the vesicle, because of magnetic susceptibility, varied with LysoPC content, and a discontinuity was found in both the water and buffer samples. Generally, the distortion increased with LysoPC content; however, at a ratio of DOPC:LysoPC 60:40, the sample showed a level of distortion of the vesicle similar to that of pure DOPC. This implies an increased flexibility in the membrane at this point. Commonly, the assumption is that for increasing LysoPC concentration there is a reduction in membrane tension, implying that estimations of membrane tension based on spontaneous curvature assumptions may not be accurate.

  15. Study of Ordering for AOT/Water Lamellar Lyotropic Liquid Crystal: Small-angle X-ray Scattering Experiments%小角X射线散射表征AOT/水层状溶致液晶的有序性

    Institute of Scientific and Technical Information of China (English)

    庄文昌; 陈晓; 杨春杰; 王庐岩; 柴永存

    2005-01-01

    用小角X射线散射研究了AOT/水层状溶致液晶的有序性.通过对散射曲线的解析,讨论了表面活性剂浓度、温度和助表面活性剂等三个方面对溶致液晶层状相结构有序性的影响.在一定的范围内,提高温度,改变表面活性剂浓度和加入少量助表面活性剂可使碳氢链排列由稀疏转变为密实,层状相也相应地由"柔性双层"过渡到更加有序化的"平面双层".基于形状因子和体系内分子间作用力,提出了层状相形成与有序化的机理,同时采用分子模拟的方法展现了不同浓度下的液晶结构.%Small-angle X-ray scattering (SAXS) is utilized to study the ordering of AOT/water lamellar phase. As increasing surfactant concentration, temperature or adding cosurfactant in certain range, the arrangement of hydrocarbon chains will change from sparse to dense which results in the structural transformation of lamellar phase from "flexible"to "planar" bilayers. The possible mechanism is proposed based on shape factor and molecular interactions. Molecular simulations are also carried out to testify the obtained results.

  16. Resonant inelastic scattering at intermediate X-ray energies

    CERN Document Server

    Hague, C F; Journel, L; Gallet, J J; Rogalev, A; Krill, G; Kappler, J P

    2000-01-01

    We describe resonant inelastic X-ray scattering (RIXS) experiments and magnetic circular dichroism (MCD) in X-ray fluorescence performed in the 3-5 keV range. The examples chosen are X-ray fluorescence MCD of FeRh and RIXS experiments performed at the L/sub 3/ edge of Ce. Fe Rh is antiferromagnetic at room temperature but has a transition to the ferromagnetic state above 400 K. The Rh MCD signal is compared with an augmented spherical wave calculation. The experiment confirms the predicted spin polarization of the Rh 4d valence states. The RIXS measurements on Ce compounds and intermetallics address the problem of mixed valency especially in systems where degeneracy with the Fermi level remains small. Examples are taken from the 2p to (4f5d) /sup +1/ followed by 3d to 2p RIXS for a highly ionic compound CeF /sub 3/ and for almost gamma -like CeCuSi. (38 refs).

  17. Maximum-likelihood estimation of scatter components algorithm for x-ray coherent scatter computed tomography of the breast

    Science.gov (United States)

    Ghammraoui, Bahaa; Badal, Andreu; Popescu, Lucretiu M.

    2016-04-01

    Coherent scatter computed tomography (CSCT) is a reconstructive x-ray imaging technique that yields the spatially resolved coherent-scatter cross section of the investigated object revealing structural information of tissue under investigation. In the original CSCT proposals the reconstruction of images from coherently scattered x-rays is done at each scattering angle separately using analytic reconstruction. In this work we develop a maximum likelihood estimation of scatter components algorithm (ML-ESCA) that iteratively reconstructs images using a few material component basis functions from coherent scatter projection data. The proposed algorithm combines the measured scatter data at different angles into one reconstruction equation with only a few component images. Also, it accounts for data acquisition statistics and physics, modeling effects such as polychromatic energy spectrum and detector response function. We test the algorithm with simulated projection data obtained with a pencil beam setup using a new version of MC-GPU code, a Graphical Processing Unit version of PENELOPE Monte Carlo particle transport simulation code, that incorporates an improved model of x-ray coherent scattering using experimentally measured molecular interference functions. The results obtained for breast imaging phantoms using adipose and glandular tissue cross sections show that the new algorithm can separate imaging data into basic adipose and water components at radiation doses comparable with Breast Computed Tomography. Simulation results also show the potential for imaging microcalcifications. Overall, the component images obtained with ML-ESCA algorithm have a less noisy appearance than the images obtained with the conventional filtered back projection algorithm for each individual scattering angle. An optimization study for x-ray energy range selection for breast CSCT is also presented.

  18. X-ray diffuse scattering measurements of nucleation dynamics at femtosecond resolution.

    Science.gov (United States)

    Lindenberg, A M; Engemann, S; Gaffney, K J; Sokolowski-Tinten, K; Larsson, J; Hillyard, P B; Reis, D A; Fritz, D M; Arthur, J; Akre, R A; George, M J; Deb, A; Bucksbaum, P H; Hajdu, J; Meyer, D A; Nicoul, M; Blome, C; Tschentscher, Th; Cavalieri, A L; Falcone, R W; Lee, S H; Pahl, R; Rudati, J; Fuoss, P H; Nelson, A J; Krejcik, P; Siddons, D P; Lorazo, P; Hastings, J B

    2008-04-01

    Femtosecond time-resolved small and wide angle x-ray diffuse scattering techniques are applied to investigate the ultrafast nucleation processes that occur during the ablation process in semiconducting materials. Following intense optical excitation, a transient liquid state of high compressibility characterized by large-amplitude density fluctuations is observed and the buildup of these fluctuations is measured in real time. Small-angle scattering measurements reveal snapshots of the spontaneous nucleation of nanoscale voids within a metastable liquid and support theoretical predictions of the ablation process.

  19. X-ray diffuse scattering measurements of nucleation dynamics at femtosecond resolution.

    Energy Technology Data Exchange (ETDEWEB)

    Lindenberg, A. M.; Engemann, S.; Gaffney, K. J.; Sokolowski-Tinten, K.; Larsson, J.; Rudati, J.; Fuoss, P. H. (Advanced Photon Source); ( MSD); (Stanford Linear Acelerator Center); (Stanford Univ.); (Stanford Synchrotron Radiation Lab.); (Univ. Duisberg-Essen); (Lund Inst. of Tech.); (Univ. of Michigan); (Deutsches Elektronen-Synchrotron DESY); (Max-Planck Inst. Quantum Optics); (Univ. of California at Berkeley); (Korea Research Inst. Standards and Science); (Univ. of Chicago); (LLNL); (BNL); (Ecole Polytechnique de Montreal)

    2008-03-01

    Femtosecond time-resolved small and wide angle x-ray diffuse scattering techniques are applied to investigate the ultrafast nucleation processes that occur during the ablation process in semiconducting materials. Following intense optical excitation, a transient liquid state of high compressibility characterized by large-amplitude density fluctuations is observed and the buildup of these fluctuations is measured in real time. Small-angle scattering measurements reveal snapshots of the spontaneous nucleation of nanoscale voids within a metastable liquid and support theoretical predictions of the ablation process.

  20. X-ray scatter correction for dual-energy x-ray absorptiometry: compensation of patient's lean/fat composition

    Science.gov (United States)

    Dinten, Jean-Marc; Darboux, Michel; Bordy, Thomas; Robert-Coutant, Christine; Gonon, Georges

    2004-05-01

    At CEA-LETI, a DEXA approach for systems using a digital 2D radiographic detector has been developed. It relies on an original X-rays scatter management method, based on a combined use of an analytical model and of scatter calibration data acquired through different thicknesses of Lucite slabs. Since Lucite X-rays interaction properties are equivalent to fat, the approach leads to a scatter flux map representative of a 100% fat region. However, patients" soft tissues are composed of lean and fat. Therefore, the obtained scatter map has to be refined in order to take into account the various fat ratios that can present patients. This refinement consists in establishing a formula relating the fat ratio to the thicknesses of Low and High Energy Lucite slabs leading to same signal level. This proportion is then used to compute, on the basis of X-rays/matter interaction equations, correction factors to apply to Lucite equivalent X-rays scatter map. Influence of fat ratio correction has been evaluated, on a digital 2D bone densitometer, with phantoms composed of a PVC step (simulating bone) and different Lucite/water thicknesses as well as on patients. The results show that our X-rays scatter determination approach can take into account variations of body composition.

  1. Scanning X-ray nanodiffraction: from the experimental approach towards spatially resolved scattering simulations

    OpenAIRE

    Dubslaff, Martin; Hanke, Michael; Patommel, Jens; Hoppe, Robert; Schroer, Christian G.; Schöder, Sebastian; Burghammer, Manfred

    2012-01-01

    An enhancement on the method of X-ray diffraction simulations for applications using nanofocused hard X-ray beams is presented. We combine finite element method, kinematical scattering calculations, and a spot profile of the X-ray beam to simulate the diffraction of definite parts of semiconductor nanostructures. The spot profile could be acquired experimentally by X-ray ptychography. Simulation results are discussed and compared with corresponding X-ray nanodiffraction experiments on single ...

  2. Modern approaches to investigation of thin films and monolayers: X-ray reflectivity, grazing-incidence X-ray scattering and X-ray standing waves

    International Nuclear Information System (INIS)

    The review concerns modern experimental methods of structure determination of thin films of different nature. The methods are based on total reflection of X-rays from the surface and include X-ray reflectivity, grazing-incidence X-ray scattering and X-ray standing waves. Their potential is exemplified by the investigations of various organic macromolecular systems that exhibit the properties of semiconductors and are thought to be promising as thin-film transistors, light-emitting diodes and photovoltaic cells. It is shown that combination of the title methods enable high-precision investigations of the structure of thin-film materials and structure formation in them, i.e., it is possible to obtain information necessary for improvement of the operating efficiency of elements of organic electronic devices. The bibliography includes 92 references

  3. Highly Angle-Resolved X-Ray Photoelectron Diffraction from Solid Surfaces

    Science.gov (United States)

    Tamura, K.; Shiraki, S.; Ishii, H.; Owari, M.; Nihei, Y.

    We have carried out the highly angle-resolved X-ray photoelectron diffraction (XPED) measurements by using the input-lens system for restriction of the detection angle. In the input-lens system, high angular resolution and high throughput are accomplished by placing an aperture not on the image plane but on the diffraction plane of electron optics. The aperture sizes (ϕ 4 mm, ϕ 2 mm, ϕ 0.5 mm, ϕ 0.25 mm) correspond to the angular resolutions (± 0.6°, ± 0.3°, ± 0.08°, ± 0.04°) respectively. Highly angle-resolved Ge3d XPED patterns from Ge(111) obtained by the angle-resolving system contain fine structure such as Kikuchi patterns. The fine structure was reproduced by multiple scattering cluster calculations.

  4. The composite architecture of the wood cell wall. Nanostructure investigations with x-ray scattering

    International Nuclear Information System (INIS)

    The present thesis is concerned with the structure of the wood cell wall at nanometer level, in particular with the arrangement of the nano-sized cellulose fibrils that reinforce the cell wall. In this work, small-angle x-ray scattering (SAXS) and wide-angle x-ray diffraction were applied to investigate the tilt angle of the cellulose fibrils with respect to the longitudinal cell axis (microfibril angle) in the major part of the cell wall, the S2 layer. A comparative SAXS study on four native wood species (spruce, pine, oak and beech) revealed a decrease of microfibril angles from up to 40 o in the very first annual rings near the pith to about 0 o near the Bark in all species. This decrease is interpreted in terms of a mechanical optimization by structural adaptations. In addition to the laboratory x-ray investigations, synchrotron x-ray microdiffraction was used to study the local orientation of the cellulose fibrils with a position resolution of 2 gm. A new technique based on unusual scattering geometry with the sample in cross section was developed. Using this technique adjacent spruce wood cells were shown to exhibit exclusively right handed cellulose helices in the major part of the cell wall. Moreover, it was found that, within the experimental accuracy, the microfibril angle was constant across the whole S2 layer. Synchrotron microdiffraction on single cell walls near drying fissures in bordered pits showed that the fissure orientation roughly follows the cellulose fibrils in the S2 layer. Quite in contrast, the orientation of fissures in pits of different type, namely cross field pits, was found to be up to 25 o different from the fibril orientation determined by SAXS in the laboratory. (author)

  5. Femtosecond X-ray scattering in condensed matter

    Energy Technology Data Exchange (ETDEWEB)

    Korff Schmising, Clemens von

    2008-11-24

    This thesis investigates the manifold couplings between electronic and structural properties in crystalline Perovskite oxides and a polar molecular crystal. Ultrashort optical excitation changes the electronic structure and the dynamics of the connected reversible lattice rearrangement is imaged in real time by femtosecond X-ray scattering experiments. An epitaxially grown superlattice consisting of alternating nanolayers of metallic and ferromagnetic strontium ruthenate (SRO) and dielectric strontium titanate serves as a model system to study optically generated stress. In the ferromagnetic phase, phonon-mediated and magnetostrictive stress in SRO display similar sub-picosecond dynamics, similar strengths but opposite sign and different excitation spectra. The amplitude of the magnetic component follows the temperature dependent magnetization square, whereas the strength of phononic stress is determined by the amount of deposited energy only. The ultrafast, phonon-mediated stress in SRO compresses ferroelectric nanolayers of lead zirconate titanate in a further superlattice system. This change of tetragonal distortion of the ferroelectric layer reaches up to 2 percent within 1.5 picoseconds and couples to the ferroelectric soft mode, or ion displacement within the unit cell. As a result, the macroscopic polarization is reduced by up to 100 percent with a 500 femtosecond delay that is due to final elongation time of the two anharmonically coupled modes. Femtosecond photoexcitation of organic chromophores in a molecular, polar crystal induces strong changes of the electronic dipole moment via intramolecular charge transfer. Ultrafast changes of transmitted X-ray intensity evidence an angular rotation of molecules around excited dipoles following the 10 picosecond kinetics of the charge transfer reaction. Transient X-ray scattering is governed by solvation, masking changes of the chromophore's molecular structure. (orig.)

  6. Femtosecond X-ray scattering in condensed matter

    International Nuclear Information System (INIS)

    This thesis investigates the manifold couplings between electronic and structural properties in crystalline Perovskite oxides and a polar molecular crystal. Ultrashort optical excitation changes the electronic structure and the dynamics of the connected reversible lattice rearrangement is imaged in real time by femtosecond X-ray scattering experiments. An epitaxially grown superlattice consisting of alternating nanolayers of metallic and ferromagnetic strontium ruthenate (SRO) and dielectric strontium titanate serves as a model system to study optically generated stress. In the ferromagnetic phase, phonon-mediated and magnetostrictive stress in SRO display similar sub-picosecond dynamics, similar strengths but opposite sign and different excitation spectra. The amplitude of the magnetic component follows the temperature dependent magnetization square, whereas the strength of phononic stress is determined by the amount of deposited energy only. The ultrafast, phonon-mediated stress in SRO compresses ferroelectric nanolayers of lead zirconate titanate in a further superlattice system. This change of tetragonal distortion of the ferroelectric layer reaches up to 2 percent within 1.5 picoseconds and couples to the ferroelectric soft mode, or ion displacement within the unit cell. As a result, the macroscopic polarization is reduced by up to 100 percent with a 500 femtosecond delay that is due to final elongation time of the two anharmonically coupled modes. Femtosecond photoexcitation of organic chromophores in a molecular, polar crystal induces strong changes of the electronic dipole moment via intramolecular charge transfer. Ultrafast changes of transmitted X-ray intensity evidence an angular rotation of molecules around excited dipoles following the 10 picosecond kinetics of the charge transfer reaction. Transient X-ray scattering is governed by solvation, masking changes of the chromophore's molecular structure. (orig.)

  7. Two-dimensional structure from random multiparticle X-ray scattering images using cross-correlations

    Science.gov (United States)

    Pedrini, B.; Menzel, A.; Guizar-Sicairos, M.; Guzenko, V. A.; Gorelick, S.; David, C.; Patterson, B. D.; Abela, R.

    2013-04-01

    Knowledge of the structure of biological macromolecules, especially in their native environment, is crucial because of the close structure-function relationship. X-ray small-angle scattering is used to determine the shape of particles in solution, but the achievable resolution is limited owing to averaging over particle orientations. In 1977, Kam proposed to obtain additional structural information from the cross-correlation of the scattering intensities. Here we develop the method in two dimensions, and give a procedure by which the single-particle diffraction pattern is extracted in a model-independent way from the correlations. We demonstrate its application to a large set of synchrotron X-ray scattering images on ensembles of identical, randomly oriented particles of 350 or 200 nm in size. The obtained 15 nm resolution in the reconstructed shape is independent of the number of scatterers. The results are discussed in view of proposed ‘snapshot’ scattering by molecules in the liquid phase at X-ray free-electron lasers.

  8. X-ray Thomson scattering measurements of density and temperature in shock-compressed beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Lee, H J; Neumayer, P; Castor, J; Doppner, T; Falcone, R W; Fortmann, C; Hammel, B A; Kritcher, A L; Landen, O L; Lee, R W; Meyerhofer, D D; Munro, D H; Redmer, R; Regan, S P; Weber, S; Glenzer, S H

    2008-08-05

    We present the first x-ray scattering measurements of the state of compression and heating in laser irradiated solid beryllium. The scattered spectra at two different angles show Compton and plasmon features indicating a dense Fermi-degenerate plasma state with a Fermi energy above 30 eV and with temperatures in the range of 10 eV to 15 eV. These measurements indicate compression by a factor of three in agreement with Hugoniot data and detailed radiation hydrodynamic modeling.

  9. Inelastic x-ray scattering from polycrystalline materials

    International Nuclear Information System (INIS)

    Inelastic X-ray scattering (IXS) is a tool to determine the phonon dispersion along high symmetry directions in single crystals. However, novel materials and crystals under extreme conditions are often only available in form of polycrystalline samples. Thus the investigation is limited to orientation-averaged properties. To overcome these limitations, a methodology to extract the single crystal phonon dispersion from polycrystalline materials was developed. The approach consists of recording IXS spectra over a large momentum transfer region and confront them with a Born - von Karman model calculation. A least-square refinement of the model IXS spectra then provides the single crystal dispersion scheme. In this work the method is developed on the test case Be. Further studies were performed on more and more complex systems, in order to explore the limitations. This novel application of IXS promises to be a valuable tool in cases where single crystalline materials are not available. (author)

  10. 基于小角散射的柴油机排气颗粒的孔隙结构分析%Analysis of porosity structure of particles from diesel engine using small angle X-ray scattering

    Institute of Scientific and Technical Information of China (English)

    赵洋; 王忠; 李瑞那; 李铭迪; 王向丽

    2014-01-01

    Particles which contain soluble organic fraction (SOF), soot, and inorganic salt are mainly the result from an incomplete combustion or pyrolysis of fossil fuels and other organic materials. In a diesel engine, the poor mixing of fuel and air creates fuel-rich zones that support particle formation at high temperatures. Numerous studies show that they are harmful to human health when inhaled and may cause cancer. For that reason, it is important to reduce the formation or at least the emission of particles to the environment. Meanwhile, the strict regulations for particulate matter emission have been enforced in many developed countries. A diesel particulate filter (DPF) is currently the dominant diesel particulate emissions control technology to meet stringent air quality standards, however, the oxidation ability of particles is important to the regeneration of the filter bed in DPF. Temperature has a great influence on the oxidation process of particles. Many physical and chemical changes of particles happen at a high temperature, leading to porosity formation of particles during oxidation. The porosity structure of particles is important to the oxidation ability of particles. The micro-orifice uniform deposition impactor (MOUDI) is a favorable apparatus for obtaining the particle size distribution and collecting the particles in different size ranges after classification. Thermogravimetric analysis (TGA) has been widely used as an analytical method for investigating the relationship between the material weight and temperature under the condition of programming a temperature rise. The curve of the sample weight then can be obtained with the temperature. A derivative thermal gravimetry (DTG) curve, the first order differential to a TG curve, can reveal the features of mass variation with the temperature. Small-angle X-ray scattering (SAXS) is a widely used diffraction method for studying the structure of the sample. In this study, the micro-orifice uniform deposit

  11. X-Ray Scatter Correction on Soft Tissue Images for Portable Cone Beam CT

    OpenAIRE

    Sorapong Aootaphao; Thongvigitmanee, Saowapak S.; Jartuwat Rajruangrabin; Chalinee Thanasupsombat; Tanapon Srivongsa; Pairash Thajchayapong

    2016-01-01

    Soft tissue images from portable cone beam computed tomography (CBCT) scanners can be used for diagnosis and detection of tumor, cancer, intracerebral hemorrhage, and so forth. Due to large field of view, X-ray scattering which is the main cause of artifacts degrades image quality, such as cupping artifacts, CT number inaccuracy, and low contrast, especially on soft tissue images. In this work, we propose the X-ray scatter correction method for improving soft tissue images. The X-ray scatter ...

  12. Evolution of Elastic X-ray Scattering in Laser-Shocked Warm Dense Li

    Energy Technology Data Exchange (ETDEWEB)

    Kugland, N L; Gregori, G; Bandyopadhyay, S; Brenner, C; Brown, C; Constantin, C; Glenzer, S H; Khattak, F; Kritcher, A L; Niemann, C; Otten, A; Pasley, J; Pelka, A; Roth, M; Spindloe, C; Riley, D

    2009-06-02

    We have studied the dynamics of warm dense Li with near-elastic x-ray scattering. Li foils were heated and compressed using shock waves driven by 4 ns long laser pulses. Separate 1 ns long laser pulses were used to generate a bright source of 2.96 keV Cl Ly-{alpha} photons for x-ray scattering, and the spectrum of scattered photons was recorded at a scattering angle of 120{sup o} using a HOPG crystal operated in the von Hamos geometry. A variable delay between the heater and backlighter laser beams measured the scattering time evolution. Comparison with radiation hydrodynamics simulations shows that the plasma is highly coupled during the first several nanoseconds, then relaxes to a moderate coupling state at later times. Near-elastic scattering amplitudes have been successfully simulated using the screened one-component plasma model. Our main finding is that the near-elastic scattering amplitudes are quite sensitive to the mean ionization state {bar Z}, and by extension to the choice of ionization model in the radiation-hydrodynamics simulations used to predict plasma properties within the shocked Li.

  13. Internal strain gradients quantified in bone under load using high-energy X-ray scattering.

    Energy Technology Data Exchange (ETDEWEB)

    Stock, S.R.; Yuan, F.; Brinson, L.C.; Almer, J.D. (X-Ray Science Division); (Northwestern University)

    2011-01-01

    High-energy synchrotron X-ray scattering (>60 keV) allows noninvasive quantification of internal strains within bone. In this proof-of-principle study, wide angle X-ray scattering maps internal strain vs position in cortical bone (murine tibia, bovine femur) under compression, specifically using the response of the mineral phase of carbonated hydroxyapatite. The technique relies on the response of the carbonated hydroxyapatite unit cells and their Debye cones (from nanocrystals correctly oriented for diffraction) to applied stress. Unstressed, the Debye cones produce circular rings on the two-dimensional X-ray detector while applied stress deforms the rings to ellipses centered on the transmitted beam. Ring ellipticity is then converted to strain via standard methods. Strain is measured repeatedly, at each specimen location for each applied stress. Experimental strains from wide angle X-ray scattering and an attached strain gage show bending of the rat tibia and agree qualitatively with results of a simplified finite element model. At their greatest, the apatite-derived strains approach 2500 {micro}{var_epsilon} on one side of the tibia and are near zero on the other. Strains maps around a hole in the femoral bone block demonstrate the effect of the stress concentrator as loading increased and agree qualitatively with the finite element model. Experimentally, residual strains of approximately 2000 {micro}{var_epsilon} are present initially, and strain rises to approximately 4500 {micro}{var_epsilon} at 95 MPa applied stress (about 1000 {micro}{var_epsilon} above the strain in the surrounding material). The experimental data suggest uneven loading which is reproduced qualitatively with finite element modeling.

  14. Solid-Density Plasma characterization with X-ray scattering on the 200-J Janus Laser

    Energy Technology Data Exchange (ETDEWEB)

    Neumayer, P B; Gregori, G; Ravasio, A; Price, D; Bastea, M; Landen, O L; Glenzer, S H

    2006-04-25

    We present collective x-ray scattering (CXS) measurements using a Chlorine He-{alpha} x-ray source pumped with less than 200 J of laser energy. The experimental scattering spectra show plasmon resonances from shocked samples. These experiments use only 10{sup 12} x-ray photons at the sample of which 10{sup -5} have been scattered and detected with a highly efficient curved crystal spectrometer. Our results demonstrate that x-ray scattering is a viable technique on smaller laser facilities making CXS measurements accessible to a broad scientific community.

  15. Average-Atom Model for X-ray Scattering from Warm Dense Matter

    CERN Document Server

    Johnson, W R; Cheng, K T

    2012-01-01

    A scheme for analyzing Thomson scattering of x-rays by warm dense matter, based on the average-atom model, is developed. Emphasis is given to x-ray scattering by bound electrons. Contributions to the scattered x-ray spectrum from elastic scattering by electrons moving with the ions and from inelastic scattering by free and bound electrons are evaluated using parameters (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) taken from the average-atom model. The resulting scheme provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, titanium, and tin plasmas. At high momentum transfer, contributions from inelastic scattering by bound electrons are dominant features of the scattered x-ray spectrum for aluminum, titanium, and tin.

  16. Spectral Softening in the X-Ray Afterglow of GRB 130925A as Predicted by the Dust Scattering Model

    Science.gov (United States)

    Zhao, Yi-Nan; Shao, Lang

    2014-07-01

    Gamma-ray bursts (GRBs) usually occur in a dense star-forming region with a massive circumburst medium. The small-angle scattering of intense prompt X-ray emission off the surrounding dust grains will have observable consequences and sometimes can dominate the X-ray afterglow. In most of the previous studies, only the Rayleigh-Gans (RG) approximation is employed for describing the scattering process, which works accurately for the typical size of grains (with radius of a diffuse interstellar medium. When the size of the grains may significantly increase, as in a more dense region where GRBs would occur, the RG approximation may not be valid enough for modeling detailed observational data. In order to study the temporal and spectral properties of the scattered X-ray emission more accurately with potentially larger dust grains, we provide a practical approach using the series expansions of anomalous diffraction (AD) approximation based on the complicated Mie theory. We apply our calculations to understand the puzzling X-ray afterglow of recently observed GRB 130925A that showed a significant spectral softening. We find that the X-ray scattering scenarios with either AD or RG approximation adopted could well reproduce both the temporal and spectral profile simultaneously. Given the plateau present in the early X-ray light curve, a typical distribution of smaller grains as in the interstellar medium would be suggested for GRB 130925A.

  17. Resonant inelastic X-ray scattering of liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Anders, E-mail: nilsson@slac.stanford.edu [SUNCAT Ctr Interface Sci and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Department of Physics, AlbaNova University Center, Stockholm University, SE-10691 (Sweden); Tokushima, Takashi [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Horikawa, Yuka [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Harada, Yoshihisa [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Synchrotron Radiation Research Organization, The University of Tokyo, Sayo-cho, Sayo, Hyogo 679-5165 (Japan); Ljungberg, Mathias P. [Department of Physics, AlbaNova University Center, Stockholm University, SE-10691 (Sweden); Institut de Ciencia de Materials de Barcelona (ICMAB-CSIC), Campus UAB, E-08193 Bellaterra (Spain); Shin, Shik [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Synchrotron Radiation Research Organization, The University of Tokyo, Sayo-cho, Sayo, Hyogo 679-5165 (Japan); Pettersson, Lars G.M. [Department of Physics, AlbaNova University Center, Stockholm University, SE-10691 (Sweden)

    2013-06-15

    Highlights: ► Two peaks are observed in the lone pair region of the XES spectrum of water assigned to tetrahedral and distorted hydrogen bonding configurations. ► The isotope effect observed as different relative peak heights is due to spectral line shape differences. ► The two different hydrogen bonding environments can be related to local structures mimicking either low density water or high density water. -- Abstract: We review recent studies using resonant inelastic X-ray scattering (RIXS) or also here denoted X-ray emission spectroscopy (XES) on liquid water and the assignment of the two sharp peaks in the lone-pair region. Using the excitation energy dependence we connect the two peaks to specific features in the X-ray absorption (XAS) spectrum which have independently been assigned to molecules in tetrahedral or distorted configurations. The polarization dependence shows that both peaks are of 1b{sub 1} origin supporting an interpretation in terms of two structural species, tetrahedral or disordered, which is furthermore consistent with the temperature-dependence of the two peaks. We discuss effects of life-time vibrational interference and how this affects the two components differently and also leads to differences in the relative peak heights for H{sub 2}O and D{sub 2}O. We show furthermore that the inherent structure in molecular dynamics simulations contain the structural bimodality suggested by XES, but this is smeared out in the real structure when temperature is included. We present a discussion around alternative interpretations suggesting that the origin of the two peaks is related to ultrafast dissociation and show evidence that such a model is inconsistent with several experimental observations and theoretical concepts. We conclude that the peaks reflect a temperature-dependent balance in fluctuations between tetrahedral and disordered structures in the liquid. This is well-aligned with theories of water under supercooled conditions and

  18. A high-field pulsed magnet system for x-ray scattering studies in Voigt geometry

    CERN Document Server

    Islam, Zahirul; Ruff, Jacob P C; Das, Ritesh K; Trakhtenberg, Emil; Nojiri, Hiroyuki; Narumi, Yasuo; Canfield, Paul C

    2011-01-01

    We present a new pulsed-magnet system that enables x-ray single-crystal diffraction in addition to powder and spectroscopic studies in Voigt geometry. The apparatus consists of a large-bore solenoid, cooled by liquid nitrogen. A second independent closed-cycle cryostat is used for cooling samples near liquid helium temperatures. Pulsed magnetic fields up to ~30 T with a minimum of ~6 ms in total duration are generated by discharging a 40 kJ capacitor bank into the magnet coil. The unique characteristic of this instrument is the preservation of maximum scattering angle (~23.6 deg.) through the magnet bore by virtue of a novel double-funnel insert. This instrument would facilitate x-ray diffraction and spectroscopic studies that are impractical, if not impossible, to perform using conventional split-pair magnets and offers a practical solution for preserving optical access in future higher-field pulsed magnets.

  19. Status of the micro- and nanofocus X-ray scattering beamline at PETRA III

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Stephan V.; Abul Kashem, Mottakin M.; Buffet, Adeline; Doehrmann, Ralph; Gehrke, Rainer; Mueller-Buschbaum, Peter; Stassig, Kai; Weckert, Edgar [HASYLAB, DESY, Hamburg (Germany); Benecke, Gunthard [HASYLAB, DESY, Hamburg (Germany); MPIKG, Potsdam (Germany); Koerstgens, Voelker; Mueller, Martin [IEAP, CAU, Kiel (Germany); Krywka, Christina [GKSS, Geesthacht (Germany); Lehmann, Jannis [Physik-Department E13, TU Muenchen, Garching (Germany)

    2010-07-01

    The micro- and nanofocus SAXS/WAXS beamline P03 (MiNaXS), combines micro- and nano-focused X-ray beams with small- and wide-angle X-ray scattering (SAXS/WAXS). Situated at the third generation high-brilliance source PETRA III of DESY in Hamburg, Germany, MiNaXS allows for high resolution in both real and reciprocal space with beam sizes ranging from 40 {mu}m to 100 nm. The low divergence offered by the high-{beta}-undulator allows for combining ultra-SAXS geometries with such small beams. We present the current status of commissioning of the MiNaXS beamline. Strong emphasis is put on the future improvements of the various experimental in-situ scanning techniques, such as nano- and {mu}GISAXS as well as its possible combinations with high-throughput and industrial processing methods for thin film technology and fluidics.

  20. Soft Proton Scattering Efficiency Measurements on X-Ray Mirror Shells

    CERN Document Server

    Diebold, S; Perinati, E; Santangelo, A; Freyberg, M; Friedrich, P; Jochum, J

    2015-01-01

    In-orbit experience has shown that soft protons are funneled more efficiently through focusing Wolter-type optics of X-ray observatories than simulations predicted. These protons can degrade the performance of solid-state X-ray detectors and contribute to the instrumental background. Since laboratory measurements of the scattering process are rare, an experiment for grazing angles has been set up at the accelerator facility of the University of T\\"ubingen. Systematic measurements at incidence angles ranging from 0.3{\\deg} to 1.2{\\deg} with proton energies around 250 keV, 500 keV, and 1 MeV have been carried out. Parts of spare mirror shells of the eROSITA (extended ROentgen Survey with an Imaging Telescope Array) instrument have been used as scattering targets. This publication comprises a detailed description of the setup, the calibration and normalization methods, and the scattering efficiency and energy loss results. A comparison of the results with a theoretical scattering description and with simulations...

  1. Resource Letter on Stimulated Inelastic X-ray Scattering at an XFEL

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, Bruce D.; /SLAC

    2010-09-02

    At sufficient X-ray intensity, stimulated effects in inelastic scattering will become important. These coherent, non-linear optical phenomena may be used to impulsively produce a high degree of collective excitation in, for example, correlated electron materials, suitable for performing ultrafast time-resolved spectroscopy. This Resource Letter collects information on fundamental aspects of stimulated X-ray scattering and evaluates the prospect for successful experiments at a present or future X-ray free electron laser (XFEL) facility.

  2. A synchrotron radiation camera and data acquisition system for time resolved x-ray scattering studies

    International Nuclear Information System (INIS)

    Until recently, time resolved measurements of x-ray scattering patterns have not been feasible because laboratory x-ray sources were too weak and detectors unavailable. Recent developments in both these fields have changed the situation, and it is now possible to follow changes in x-ray scattering patterns with a time resolution of a few ms. The apparatus used to achieve this is described and some examples from recent biological experiments are given. (author)

  3. Nano-crystal growth in cordierite glass ceramics studied with X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bras, Wim; Clark, Simon M.; Greaves, G. N.; Kunz, Martin; van Beek, W.; Radmilovic, V.

    2009-01-16

    The development of monodisperse crystalline particles in cordierite glass doped with Cr3+ after a two-step heat treatment is elucidated by a combination of time-resolved small and wide angle x-ray scattering (SAXS/WAXS) experiments with electron microscopy. The effects of bulk and surface crystallization can clearly be distinguished, and the crystallization kinetics of the bulk phase is characterized. The internal pressure due to structural differences between the crystalline and amorphous phase is measured but the physical cause of this pressure can not unambiguously be attributed. The combined measurements comprise a nearly full characterization of the crystallization processes and the resulting sample morphology.

  4. Direct and bulk-scattered forward-shock emissions: sources of X-ray afterglow diversity

    OpenAIRE

    Panaitescu, A.

    2008-01-01

    I describe the modifications to the standard forward-shock model required to account for the X-ray light-curve features discovered by Swift in the early afterglow emission and propose that a delayed, pair-enriched, and highly relativistic outflow, which bulk-scatters the forward-shock synchrotron emission, yields sometimes a brighter X-ray emission, producing short-lived X-ray flares, X-ray light-curve plateaus ending with chromatic breaks, and fast post-plateau X-ray decays.

  5. High energy x-ray reflectivity and scattering study from spectrum-x-gamma flight mirrors

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; Budtz-Jørgensen, Carl; Frederiksen, P. Kk;

    1993-01-01

    Line radiation from Fe K-alpha(1), Cu K-alpha(1), and Ag K-alpha(1) is used to study the high energy X-ray reflectivity and scattering behavior of flight-quality X-ray mirrors having various Al substrates. When both the specular and the scattered radiation are integrated, near theoretical...

  6. Densitometry and temperature measurement of combustion gas by X-ray Compton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Sakurai, Hiroshi, E-mail: sakuraih@gunma-u.ac.jp [Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Kawahara, Nobuyuki [Okayama University, Tsushima-Naka 3, Okayama 700-8530 (Japan); Itou, Masayoshi [Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Tomita, Eiji [Okayama University, Tsushima-Naka 3, Okayama 700-8530 (Japan); Suzuki, Kosuke [Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Sakurai, Yoshiharu [Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan)

    2016-02-17

    Measurement of combustion gas by high-energy X-ray Compton scattering is reported. Measurement of combustion gas by high-energy X-ray Compton scattering is reported. The intensity of Compton-scattered X-rays has shown a position dependence across the flame of the combustion gas, allowing us to estimate the temperature distribution of the combustion flame. The energy spectra of Compton-scattered X-rays have revealed a significant difference across the combustion reaction zone, which enables us to detect the combustion reaction. These results demonstrate that high-energy X-ray Compton scattering can be employed as an in situ technique to probe inside a combustion reaction.

  7. Multiple angle measurement and modeling of M-band x-ray fluxes from vacuum hohlraum

    Science.gov (United States)

    Guo, Liang; Li, Shanwei; Li, Zhichao; Jing, Longfei; Xie, Xufei; Jiang, Xiaohua; Yang, Dong; Du, Huabin; Hou, Lifei; Yang, Jiamin; Liu, Shenye; Jiang, Shaoen; Ding, Yongkun; Hu, Guangyue; Zheng, Jian

    2016-09-01

    The energetics experiment of vacuum gold hohlraums is implemented on the Shenguang-II laser facility. The total and M-band x-ray fluxes from the laser entrance holes are measured by the flat response x-ray diodes which are set at multiple angles with respect to the axis of the hohlraums. The measured M-band fractions are from 5.72% to 7.71%, which present a specific angular distribution. Based on the fact that the M-band x-rays are mainly emitted from the under-dense high-temperature plasmas, a simplified model is developed to give a quantitative prediction of the intensity, temporal behavior, and angular distribution of the M-band x-ray flux. The results obtained with our model are in good agreement with the experimental data, showing that our model can be a useful tool for M-band x-ray investigation.

  8. Time Resolved X-Ray Scattering of molecules in Solution

    DEFF Research Database (Denmark)

    Brandt van Driel, Tim

    bringing the data from measurement to analysis. Bridging the experimental design and challenges of the experiments from X-ray synchrotrons to the newly available X-ray Free Electron Laser sources (XFEL).LCLS in California is the first XFEL to come online and delivers intense 30fs X-ray pulses, orders of...... purpose built CSPAD detector is presented and applied to the data to highlight the relevance of this work. Thereby showing the ability to capture a molecular movie on the sub-ps time-scale....

  9. Azimuthal anisotropy of the scattered radiation in grazing incidence X-ray fluorescence

    Energy Technology Data Exchange (ETDEWEB)

    Das, Gangadhar, E-mail: gdas@rrcat.gov.in; Tiwari, M. K.; Singh, A. K.; Ghosh, Haranath [Indus Synchrotrons Utilisation Division, Raja Ramanna Centre for Advanced Technology, Indore-452013 (India)

    2015-06-24

    The Compton and elastic scattering radiations are the major contributor to the spectral background of an x-ray fluorescence spectrum, which eventually limits the element detection sensitivities of the technique to µg/g (ppm) range. In the present work, we provide a detail mathematical descriptions and show that how polarization properties of the synchrotron radiation influence the spectral background in the x-ray fluorescence technique. We demonstrate our theoretical understandings through experimental observations using total x-ray fluorescence measurements on standard reference materials. Interestingly, the azimuthal anisotropy of the scattered radiation is shown to have a vital role on the significance of the x-ray fluorescence detection sensitivities.

  10. The AMPIX electrochemical cell. A versatile apparatus for in situ X-ray scattering and spectroscopic measurements

    International Nuclear Information System (INIS)

    This article presents a versatile easy-to-use electrochemical cell suitable for in operando, in situ measurements of battery materials during electrochemical cycling using a variety of X-ray techniques. Argonne's multi-purpose in situ X-ray (AMPIX) cell provides reliable electrochemical cycling over extended periods owing to the uniform stack pressure applied by rigid X-ray windows and the formation of a high-fidelity hermetic seal. The suitability of the AMPIX cell for a broad range of synchrotron-based X-ray scattering and spectroscopic measurements has been demonstrated with studies at eight Advanced Photon Source beamlines to date. Compatible techniques include pair distribution function analysis, high-resolution powder diffraction, small-angle scattering and X-ray absorption spectroscopy. These techniques probe a broad range of electronic, structural and morphological features relevant to battery materials. The AMPIX cell enables experiments providing greater insight into the complex processes that occur in operating batteries by allowing the electrochemical reactions to be probed at fine reaction intervals with greater consistency (within the charge-discharge cycle and between different methodologies) with potential for new time-dependent kinetic studies or studies of transient species. Representative X-ray and electrochemical data to demonstrate the functionality of the AMPIX cell are presented. (orig.)

  11. Demonstration of X-ray Thomson Scattering on Shenguang-Ⅱ Laser Facility

    Institute of Scientific and Technical Information of China (English)

    胡广月; 张小丁; 郑坚; 雷安乐; 沈百飞; 徐至展; 张继彦; 杨家敏; 杨国洪; 韦敏习; 李军; 丁永坤

    2012-01-01

    X-ray Thomson scattering technique for diagnosing dense plasma was demonstrated on Shenguang-Ⅱ laser facility. Laser plasma x-ray source of titanium He-a lines (-4.75 keV), generated by laser beam (1.5 kJ/527 nm/2 ns) heated titanium thin foil, was used as x-ray probe beam. The x-ray probe was then scattered by cold CH foam column of 1 g/cm^3 density. The scattered radiation at 90° was diffracted by polyethylene terephthalate (PET) crystal and recorded on x-ray charge-coupled device. Well-defined scattering spectra were obtained with good signal to noise ratio.

  12. X-ray, neutron, and electron scattering. Report of a materials sciences workshop

    Energy Technology Data Exchange (ETDEWEB)

    1977-08-01

    The ERDA Workshop on X-ray, Neutron, and Electron Scattering to assess needs and establish priorities for energy-related basic research on materials. The general goals of the Workshop were: (1) to review various energy technologies where x-ray, neutron, and electron scattering techniques might make significant contributions, (2) to identify present and future materials problems in the energy technologies and translate these problems into requirements for basic research by x-ray, neutron, and electron scattering techniques, (3) to recommend research areas utilizing these three scattering techniques that should be supported by the DPR Materials Sciences Program, and (4) to assign priorities to these research areas.

  13. X-ray edge singularity in resonant inelastic x-ray scattering (RIXS)

    Science.gov (United States)

    Markiewicz, Robert; Rehr, John; Bansil, Arun

    2013-03-01

    We develop a lattice model based on the theory of Mahan, Noziéres, and de Dominicis for x-ray absorption to explore the effect of the core hole on the RIXS cross section. The dominant part of the spectrum can be described in terms of the dynamic structure function S (q , ω) dressed by matrix element effects, but there is also a weak background associated with multi-electron-hole pair excitations. The model reproduces the decomposition of the RIXS spectrum into well- and poorly-screened components. An edge singularity arises at the threshold of both components. Fairly large lattice sizes are required to describe the continuum limit. Supported by DOE Grant DE-FG02-07ER46352 and facilitated by the DOE CMCSN, under grant number DE-SC0007091.

  14. Experimental considerations for in situ X-ray scattering analysis of OMVPE growth

    International Nuclear Information System (INIS)

    We have recently performed a set of experiments using a chamber for growth of semiconductor single crystal films via organometallic vapor phase epitaxy (OMVPE) while simultaneously scattering X-rays from the growing crystal surface. Due to the special complications of OMVPE growth, such as near-atmospheric pressures, toxic and flammable gases, and high substrate temperatures, the chamber design includes many novel features. In this paper we will discuss the advantages of the z-axis diffractometer for such a chamber and the specific solutions to problems such as convective flow near the sample and film growth on the Be windows attached to the growth chamber. The X-rays enter the chamber through a 35-mm-diameter Be window mounted on a 2.75 in. UHV flange; they exit through a separate window which allows detection of X-rays from -5deg to 125deg in 2θ and take-off angles from the surface from -5deg to 45deg. Results from our experimental run on the PEP storage ring studying the growth of ZnSe on GaAs will be discussed. (orig.)

  15. Radiation damage in polymer films from grazing-incidence X-ray scattering measurements

    Energy Technology Data Exchange (ETDEWEB)

    Vaselabadi, Saeed Ahmadi [Department of Chemical and Biomolecular Engineering, University of Houston, Houston Texas 77204-4004; Shakarisaz, David [Department of Electrical and Computer Engineering, University of Houston, Houston Texas 77204-4005; Ruchhoeft, Paul [Department of Electrical and Computer Engineering, University of Houston, Houston Texas 77204-4005; Strzalka, Joseph [X-Ray Science Division, Argonne National Laboratory, Argonne Illinois 60439; Stein, Gila E. [Department of Chemical and Biomolecular Engineering, University of Houston, Houston Texas 77204-4004

    2016-02-16

    Grazing-incidence X-ray scattering (GIXS) is widely used to analyze the crystallinity and nanoscale structure in thin polymer lms. However, ionizing radiation will generate free radicals that initiate cross-linking and/or chain scission, and structural damage will impact the ordering kinetics, thermodynamics, and crystallinity in many polymers. We report a simple methodology to screen for beam damage that is based on lithographic principles: lms are exposed to patterns of x-ray radiation, and changes in polymer structure are revealed by immersing the lm in a solvent that dissolves the shortest chains. The experiments are implemented with high throughput using the standard beam line instrumentation and a typical GIXS configuration. The extent of damage (at a fixed radiation dose) depends on a range of intrinsic material properties and experimental variables, including the polymer chemistry and molecular weight, exposure environment, llm thickness, and angle of incidence. The solubility switch for common polymers is detected within 10-60 sec at ambient temperature, and we verified that this first indication of damage corresponds with the onset of network formation in glassy polystyrene and a loss of crystallinity in polyalkylthiophenes. Therefore, grazing-incidence x-ray patterning offers an efficient approach to determine the appropriate data acquisition times for any GIXS experiment.

  16. Time-resolved x-ray scattering measurements of shock propagation in laser-driven CH foils

    Science.gov (United States)

    Barbrel, Benjamin; Koenig, Michel; Benuzzi-Mounaix, Alessandra; Brambrink, Erik; Brown, Colin; Khattak, Fida; Nagler, Bob; Rabec-Le-Gloaec, Marc; Spindloe, Chris; Tolley, Marc; Vinko, Samuel; Riley, David; Wark, Justin; Gregori, Gianluca

    2008-11-01

    We have performed time-resolved x-ray scattering measurements in the warm dense matter regime at the LULI 2000 laser facility (Ecole Polytechnique, France). The laser-driven shocked CH samples were probed with 30ps, 8keV Cu Kalpha radiation, delayed with respect to the shock propagation. The angularly resolved scattered x-ray signal, collected over a wide angle range (25-55 degrees), gives access to the plasma structure factor. For the first time, the use of a short pulse x-ray source allows ourselves to probe the microscopic properties of WDM at different plasma conditions as the shock travels. Spectrum shows evidence of strong coupling behaviour in the CH plasma. Results are compared to simulations taking account strong coupling effect and appropriate multi ionic-species treatment. The data analysis and the models used will be presented and discussed.

  17. Many-electron effects on the x-ray Rayleigh scattering by highly charged He-like ions

    CERN Document Server

    Volotka, A V; Surzhykov, A; Stöhlker, Th; Fritzsche, S

    2016-01-01

    The Rayleigh scattering of x-rays by many-electron highly charged ions is studied theoretically. The many-electron perturbation theory, based on a rigorous quantum electrodynamics approach, is developed and implemented for the case of the elastic scattering of (high-energetic) photons by helium-like ion. Using this elaborate approach, we here investigate the many-electron effects beyond the independent-particle approximation (IPA) as conventionally employed for describing the Rayleigh scattering. The total and angle-differential cross sections are evaluated for the x-ray scattering by helium-like Ni$^{26+}$, Xe$^{52+}$, and Au$^{77+}$ ions in their ground state. The obtained results show that, for high-energetic photons, the effects beyond the IPA do not exceed 2% for the scattering by a closed $K$-shell.

  18. Protein folding and protein metallocluster studies using synchrotron small angler X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Eliezer, D.

    1994-06-01

    Proteins, biological macromolecules composed of amino-acid building blocks, possess unique three dimensional shapes or conformations which are intimately related to their biological function. All of the information necessary to determine this conformation is stored in a protein`s amino acid sequence. The problem of understanding the process by which nature maps protein amino-acid sequences to three-dimensional conformations is known as the protein folding problem, and is one of the central unsolved problems in biophysics today. The possible applications of a solution are broad, ranging from the elucidation of thousands of protein structures to the rational modification and design of protein-based drugs. The scattering of X-rays by matter has long been useful as a tool for the characterization of physical properties of materials, including biological samples. The high photon flux available at synchrotron X-ray sources allows for the measurement of scattering cross-sections of dilute and/or disordered samples. Such measurements do not yield the detailed geometrical information available from crystalline samples, but do allow for lower resolution studies of dynamical processes not observable in the crystalline state. The main focus of the work described here has been the study of the protein folding process using time-resolved small-angle x-ray scattering measurements. The original intention was to observe the decrease in overall size which must accompany the folding of a protein from an extended conformation to its compact native state. Although this process proved too fast for the current time-resolution of the technique, upper bounds were set on the probable compaction times of several small proteins. In addition, an interesting and unexpected process was detected, in which the folding protein passes through an intermediate state which shows a tendency to associate. This state is proposed to be a kinetic molten globule folding intermediate.

  19. Protein folding and protein metallocluster studies using synchrotron small angler X-ray scattering

    International Nuclear Information System (INIS)

    Proteins, biological macromolecules composed of amino-acid building blocks, possess unique three dimensional shapes or conformations which are intimately related to their biological function. All of the information necessary to determine this conformation is stored in a protein's amino acid sequence. The problem of understanding the process by which nature maps protein amino-acid sequences to three-dimensional conformations is known as the protein folding problem, and is one of the central unsolved problems in biophysics today. The possible applications of a solution are broad, ranging from the elucidation of thousands of protein structures to the rational modification and design of protein-based drugs. The scattering of X-rays by matter has long been useful as a tool for the characterization of physical properties of materials, including biological samples. The high photon flux available at synchrotron X-ray sources allows for the measurement of scattering cross-sections of dilute and/or disordered samples. Such measurements do not yield the detailed geometrical information available from crystalline samples, but do allow for lower resolution studies of dynamical processes not observable in the crystalline state. The main focus of the work described here has been the study of the protein folding process using time-resolved small-angle x-ray scattering measurements. The original intention was to observe the decrease in overall size which must accompany the folding of a protein from an extended conformation to its compact native state. Although this process proved too fast for the current time-resolution of the technique, upper bounds were set on the probable compaction times of several small proteins. In addition, an interesting and unexpected process was detected, in which the folding protein passes through an intermediate state which shows a tendency to associate. This state is proposed to be a kinetic molten globule folding intermediate

  20. Microfibril angle variability in Masson Pine (Pinus massoniana Lamb.) using X-ray diffraction

    Institute of Scientific and Technical Information of China (English)

    Zhang Bo; Fei Ben-hua; Yu Yan; Zhao Rong-jun

    2007-01-01

    The microfibril angle of fiber walls is an ultra-microscopic feature affecting the performance of wood products. It is therefore essential to get more definitive information to improve selection and utilization. X-ray diffraction is a rapid method for measuring micro fibril angles. In this paper, the variability of microfibril angle in plantation-grown Masson pine was investigated by peak-fitting method. This method was compared with the traditional hand-drawn method, 40% peak height method and half peak height method. X-ray diffraction measurements indicated that the microfibril angle changed as a function of the position in the tree.The mean micro fibril angle decreased more gradually as the distance increased from the pith and reached the same level in mature wood. The microfibril angle also seemed to decrease clearly from the base upward. Differences of angle-intensity curves between heartwood and sapwood were also examined.

  1. X-ray suppression in gamma-ray bursts through resonant Compton scattering

    Science.gov (United States)

    Brainerd, J. J.

    1992-01-01

    An X-ray that scatters with an electron in the first Landau level of a strong magnetic field is converted into a gamma ray. This process has a resonant cross section at X-ray energies and is therefore highly likely to occur even when the first Landau level is sparsely populated. Converted X-rays are cyclotron absorbed, maintaining the equilibrium between the cyclotron photon density and the population of the first Landau level. By suppressing a neutron star's black body emission, this mechanism can produce a gamma-ray burst with a low X-ray flux.

  2. Investigation of X-Ray Harmonics in the Polarized Nonlinear Inverse Compton Scattering Experiment at UCLA

    CERN Document Server

    Doyuran, Adnan; Joshi, Chandrashekhar; Lim, Jae; Rosenzweig, James E; Tochitsky, Sergei Ya; Travish, Gil; Williams, Oliver

    2005-01-01

    An Inverse Compton Scattering (ICS) experiment investigating the polarized harmonic production in the nonlinear regime has begun which will utilize the existing terawatt CO2 laser system and 15 MeV photoinjector in the Neptune Laboratory at UCLA. A major motivation for a source of high brightness polarized x-rays is the production of polarized positrons for use in future linear collider experiments. Analytical calculations have been performed to predict the angular and frequency spectrums for various polarizations and different scattering angles. Currently, the experiment is running and we report the set-up and initial results. The advantages and limitations of using a high laser vector potential, ao, in an ICS-based polarized positron source are expected to be revealed with further measurement of the harmonic spectrum and angular characteristics.

  3. Effect of an electron scattering cloud on X-ray oscillations produced by beaming

    Science.gov (United States)

    Brainerd, J.; Lamb, F. K.

    1987-01-01

    The effect of a scattering cloud on the amplitude of oscillations produced by a rotating beam of X-rays is investigated using analytical and Monte Carlo methods. The scattering cloud was modeled as a uniform density sphere, and the source was represented as an anistropic distribution of radiation emerging from a point at the center of the scattering cloud. The intensity distribution produced by the source beam is examined as a function of optical depth. The relation between electron scattering optical depth and the forward-backward ratio is studied. It is observed that the scattering in a central corona of various optical depths reduces the amplitude of the oscillation. The data suggest that the quasi-periodic oscillations observed in the X-ray intensities of some luminous low-mass X-ray binaries are caused by oscillations in the luminosity of the X-ray star.

  4. Imaging instantaneous electron flow with ultrafast resonant x-ray scattering

    CERN Document Server

    Popova-Gorelova, Daria

    2015-01-01

    We propose a novel way to image dynamical properties of nonstationary electron systems using ultrafast resonant x-ray scattering. Employing a rigorous theoretical analysis within the framework of quantum electrodynamics, we demonstrate that a single scattering pattern from a nonstationary electron system encodes the instantaneous interatomic electron current in addition to the structural information usually obtained by resonant x-ray scattering from stationary systems. Thus, inelastic contributions that are indistinguishable from elastic processes induced by a broadband probe pulse, instead of being a concern, serve as an advantage for time-resolved resonant x-ray scattering. Thereby, we propose an approach combining elastic and inelastic resonant x-ray scattering for imaging dynamics of nonstationary electron systems in both real space and real time. In order to illustrate its power, we show how it can be applied to image the electron hole current in an ionized diatomic molecule.

  5. Study on the influences of X Ray Scattering on radioscopic inspection

    International Nuclear Information System (INIS)

    This study issued from European project 'Verdict' (Virtual Evaluation and Robust Detection for engine Components non destructive Testing), aimed at developing and evaluating X Ray Non Destructive Method simulation. An qualitative appreciation and quantification for X Ray scattering for modelling (SINDBAD software) was identified. The effect of such radiation on radiogram results in a disturbing blur for interpretation of indications. The method and the results described are innovative in the analysis of X Ray scattering because for aeronautic field, the configurations used with this energy range are breakthrough. The approach followed consists in an experimental and practical method for evaluating scattered radiation on final image issued from the inspection. Experimental tests results confirmed that the influence of scattering radiation are linked to density variation, geometry of parts in the axis of direct radiation and spatial area. This study performed in industrial configurations contributed to improve X Ray scattering understanding. (authors)

  6. Extracting water and ion distributions from solution x-ray scattering experiments.

    Science.gov (United States)

    Nguyen, Hung T; Pabit, Suzette A; Pollack, Lois; Case, David A

    2016-06-01

    Small-angle X-ray scattering measurements can provide valuable information about the solvent environment around biomolecules, but it can be difficult to extract solvent-specific information from observed intensity profiles. Intensities are proportional to the square of scattering amplitudes, which are complex quantities. Amplitudes in the forward direction are real, and the contribution from a solute of known structure (and from the waters it excludes) can be estimated from theory; hence, the amplitude arising from the solvent environment can be computed by difference. We have found that this "square root subtraction scheme" can be extended to non-zero q values, out to 0.1 Å(-1) for the systems considered here, since the phases arising from the solute and from the water environment are nearly identical in this angle range. This allows us to extract aspects of the water and ion distributions (beyond their total numbers), by combining experimental data for the complete system with calculations for the solutes. We use this approach to test molecular dynamics and integral-equation (3D-RISM (three-dimensional reference interaction site model)) models for solvent structure around myoglobin, lysozyme, and a 25 base-pair duplex DNA. Comparisons can be made both in Fourier space and in terms of the distribution of interatomic distances in real space. Generally, computed solvent distributions arising from the MD simulations fit experimental data better than those from 3D-RISM, even though the total small-angle X-ray scattering patterns are very similar; this illustrates the potential power of this sort of analysis to guide the development of computational models. PMID:27276943

  7. New X-ray beam position monitors with submicron resolution utilizing imaging of scattered X-rays at CHESS

    Energy Technology Data Exchange (ETDEWEB)

    Revesz, Peter, E-mail: pr20@cornell.edu [Cornell University, Cornell High Energy Synchrotron Source, Ithaca 14850, NY (United States); Temnykh, Alexander B. [Cornell University, Laboratory for Elem-Particle Physics, Ithaca 14850, NY (United States); Pauling, Alan K. [Cornell University, Cornell High Energy Synchrotron Source, Ithaca 14850, NY (United States)

    2011-09-01

    At CHESS' A, F and G wiggler beam lines three new video beam position monitors (VBPMs) have been commissioned. These new VBPMs utilize X-rays scattered from the graphite filter (A and F line) or from a beryllium window (G-line) as the white wiggler beam passes through them. As the X-rays scatter in all directions from the scattering medium, a slit camera creates an image of the beam's footprint on a fluorescent screen. This image is then viewed by a CCD camera and analyzed using a computer program to calculate the intensity centroid, the beam profile and integrated intensity. These data are delivered to the CHESS signal archiving system for storage and display. The new systems employ digital cameras. These cameras are free of the noise inherent to the analog systems with long video signal connections. As a result, the beam position data delivered by the new systems are more reliable and accurate as shown by beam position traces using different beam position monitors on the same beam line.

  8. New X-ray beam position monitors with submicron resolution utilizing imaging of scattered X-rays at CHESS

    Science.gov (United States)

    Revesz, Peter; Temnykh, Alexander B.; Pauling, Alan K.

    2011-09-01

    At CHESS' A, F and G wiggler beam lines three new video beam position monitors (VBPMs) have been commissioned. These new VBPMs utilize X-rays scattered from the graphite filter (A and F line) or from a beryllium window (G-line) as the white wiggler beam passes through them. As the X-rays scatter in all directions from the scattering medium, a slit camera creates an image of the beam's footprint on a fluorescent screen. This image is then viewed by a CCD camera and analyzed using a computer program to calculate the intensity centroid, the beam profile and integrated intensity. These data are delivered to the CHESS signal archiving system for storage and display. The new systems employ digital cameras. These cameras are free of the noise inherent to the analog systems with long video signal connections. As a result, the beam position data delivered by the new systems are more reliable and accurate as shown by beam position traces using different beam position monitors on the same beam line.

  9. X-ray scattering studies of lanthanides magnetism

    DEFF Research Database (Denmark)

    McMorrow, D.; Bohr, Jakob; Gibbs, D.

    1999-01-01

    Interest in the applications of X-ray synchrotron radiation has grown rapidly during the last decade. At the present time, intense, ultra-bright synchrotron radiation is available on a routine basis from third-generation sources located in Europe (ESRF), North America (APS) and Japan (Spring8). T...

  10. Multiple scattering in grazing-incidence X-ray diffraction: impact on lattice-constant determination in thin films

    Energy Technology Data Exchange (ETDEWEB)

    Resel, Roland, E-mail: roland.resel@tugraz.at; Bainschab, Markus; Pichler, Alexander [Graz University of Technology, Graz (Austria); Dingemans, Theo [Delft University of Technology, Delft (Netherlands); Simbrunner, Clemens [Johannes Kepler University, Linz (Austria); University of Bremen, Bremen (Germany); Stangl, Julian [Johannes Kepler University, Linz (Austria); Salzmann, Ingo [Humboldt University, Berlin (Germany)

    2016-04-20

    The use of grazing-incidence X-ray diffraction to determine the crystal structure from thin films requires accurate positions of Bragg peaks. Refraction effects and multiple scattering events have to be corrected or minimized. Dynamical scattering effects are observed in grazing-incidence X-ray diffraction experiments using an organic thin film of 2,2′:6′,2′′-ternaphthalene grown on oxidized silicon as substrate. Here, a splitting of all Bragg peaks in the out-of-plane direction (z-direction) has been observed, the magnitude of which depends both on the incidence angle of the primary beam and the out-of-plane angle of the scattered beam. The incident angle was varied between 0.09° and 0.25° for synchrotron radiation of 10.5 keV. This study reveals comparable intensities of the split peaks with a maximum for incidence angles close to the critical angle of total external reflection of the substrate. This observation is rationalized by two different scattering pathways resulting in diffraction peaks at different positions at the detector. In order to minimize the splitting, the data suggest either using incident angles well below the critical angle of total reflection or angles well above, which sufficiently attenuates the contributions from the second scattering path. This study highlights that the refraction of X-rays in (organic) thin films has to be corrected accordingly to allow for the determination of peak positions with sufficient accuracy. Based thereon, a reliable determination of the lattice constants becomes feasible, which is required for crystallographic structure solutions from thin films.

  11. Scattering-compensated cone beam x-ray luminescence computed tomography

    Science.gov (United States)

    Gao, Peng; Rong, Junyan; Pu, Huangsheng; Liu, Wenlei; Liao, Qimei; Lu, Hongbing

    2016-04-01

    X-ray luminescence computed tomography (XLCT) opens new possibilities to perform molecular imaging with x-ray. It is a dual modality imaging technique based on the principle that some nanophosphors can emit near-infrared (NIR) light when excited by x-rays. The x-ray scattering effect is a great issue in both CT and XLCT reconstruction. It has been shown that if the scattering effect compensated, the reconstruction average relative error can be reduced from 40% to 12% in the in the pencil beam XLCT. However, the scattering effect in the cone beam XLCT has not been proved. To verify and reduce the scattering effect, we proposed scattering-compensated cone beam x-ray luminescence computed tomography using an added leading to prevent the spare x-ray outside the irradiated phantom in order to decrease the scattering effect. Phantom experiments of two tubes filled with Y2O3:Eu3+ indicated that the proposed method could reduce the scattering by a degree of 30% and can reduce the location error from 1.8mm to 1.2mm. Hence, the proposed method was feasible to the general case and actual experiments and it is easy to implement.

  12. X-ray scattering with momentum transfer in the plane of membrane. Application to gramicidin organization.

    OpenAIRE

    He, K.; Ludtke, S J; Wu, Y.; Huang, H W

    1993-01-01

    We demonstrate a technique for measuring x-ray (or neutron) scattering with the momentum transfer confined in the plane of membrane, for the purpose of studying lateral organization of proteins and peptides in membrane. Unlike freeze-fracture electron microscopy or atomic force microscopy which requires the membrane to be frozen or fixed, in-plane x-ray scattering can be performed with the membrane maintained in the liquid crystalline state. As an example, the controversial question of whethe...

  13. A method for sizing sub-micron particles using small angle diffraction of soft x-rays

    International Nuclear Information System (INIS)

    The purpose of this work is to develop a method of sizing sub-micron particles using small-angle soft x-ray diffraction. Solid poly-styrene spheres of known sizes were used as scattering samples, with C-Kα (44.8/angstrom/) and V-Lα (24.3/angstrom/) radiation from a conventional x-ray source. Two devices were used to diffract the x-rays. One collimates the radiation using a series of pinholes immediately preceding the sample, and directs the unfocussed radiation onto film placed far from the sample. The other utilizes radiation from a single pinhole above the source onto the sample and a spherical multilayer mirror in series, so that the radiation passes twice through the sample and is focused onto film immediately above the pinhole assembly to increase the effective sample area. Using the latter device, two types of diffraction patterns were obtained: a sharp, relatively small pattern from spheres which form a hexagonal lattice structure, and a diffuse, larger pattern from an unordered, or random, array of spheres. Both patterns are presented in this work, along with the calculations, based upon light scattering from an unordered and an ordered array of particles, of the scattering patterns. 9 refs., 32 figs., 2 tabs

  14. Improving the spatial resolution of a soft X-ray Charge Coupled Device used for Resonant Inelastic X-ray Scattering

    OpenAIRE

    Soman, M. R.; Hall, D. J. (David John); Tutt, J. H.; Murray, N. J.; Holland, A. D.; Schmitt, T.; Raabe, J.; Schmitt, B.

    2011-01-01

    The Super Advanced X-ray Emission Spectrometer (SAXES) at the Advanced Resonant Scattering (ADRESS) beamline of the Swiss Light Source is a high-resolution X-ray spectrometer used as an end station for Resonant Inelastic X-ray Scattering from 400 eV to 1600 eV. Through the dispersion of photons across a CCD, the energy of scattered photons may be determined by their detected spatial position. The limiting factor of the energy resolution is currently the spatial resolution achieved with the CC...

  15. Extensional rheometer for in situ x-ray scattering study on flow-induced crystallization of polymer

    Science.gov (United States)

    Liu, Yanping; Zhou, Weiqing; Cui, Kunpeng; Tian, Nan; Wang, Xiao; Liu, Liangbao; Li, Liangbin; Zhou, Yingui

    2011-04-01

    We designed and constructed an extensional rheometer for in situ small and wide angle x-ray study on flow-induced crystallization of polymer. Two rotating drums with an axis distance of 20 mm are employed to impose extensional deformation on the samples. With a constant angular velocity, the two drums generate a constant Henkcy strain rate as sample length for testing keeps constant during deformation. An ionic liquid is used as heating medium to prevent polymer melt from bending downward due to gravity, which is excellent in terms of high thermal stability, low viscosity, and relative low adsorption on x-ray. Flow-induced crystallization experiments are conducted with this apparatus on x-ray scattering station in Shanghai Synchrotron Radiation Facility (SSRF), which allows us to collect rheological and structural data simultaneously and may lead to a better understanding on flow-induced crystallization of polymer.

  16. X-ray generation by inverse Compton scattering at the superconducting RF test facility

    International Nuclear Information System (INIS)

    Quasi-monochromatic X-rays with high brightness have a broad range of applications in fields such as life sciences, bio-, medical applications, and microlithography. One method for generating such X-rays is via inverse Compton scattering (ICS). X-ray generation experiments using ICS were carried out at the superconducting RF test facility (STF) accelerator at KEK. A new beam line, newly developed four-mirror optical cavity system, and new X-ray detector system were prepared for experiments downstream section of the STF electron accelerator. Amplified pulsed photons were accumulated into a four-mirror optical cavity and collided with an incoming 40 MeV electron beam. The generated X-rays were detected using a microchannel plate (MCP) detector for X-ray yield measurements and a new silicon-on-insulator (SOI) detector system for energy measurements. The detected X-ray yield by the MCP detector was 1756.8±272.2 photons/(244 electron bunches). To extrapolate this result to 1 ms train length under 5 Hz operations, 4.60×105 photons/1%-bandwidth were obtained. The peak X-ray energy, which was confirmed by the SOI detector, was 29 keV, and this is consistent with ICS X-rays

  17. X-ray generation by inverse Compton scattering at the superconducting RF test facility

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Hirotaka, E-mail: hirotaka@post.kek.jp [KEK, 1-1 Oho, Tsukuba 305-0801, Ibaraki (Japan); Akemoto, Mitsuo; Arai, Yasuo; Araki, Sakae; Aryshev, Alexander; Fukuda, Masafumi; Fukuda, Shigeki; Haba, Junji; Hara, Kazufumi; Hayano, Hitoshi; Higashi, Yasuo; Honda, Yosuke; Honma, Teruya; Kako, Eiji; Kojima, Yuji; Kondo, Yoshinari; Lekomtsev, Konstantin; Matsumoto, Toshihiro; Michizono, Shinichiro; Miyoshi, Toshinobu [KEK, 1-1 Oho, Tsukuba 305-0801, Ibaraki (Japan); and others

    2015-02-01

    Quasi-monochromatic X-rays with high brightness have a broad range of applications in fields such as life sciences, bio-, medical applications, and microlithography. One method for generating such X-rays is via inverse Compton scattering (ICS). X-ray generation experiments using ICS were carried out at the superconducting RF test facility (STF) accelerator at KEK. A new beam line, newly developed four-mirror optical cavity system, and new X-ray detector system were prepared for experiments downstream section of the STF electron accelerator. Amplified pulsed photons were accumulated into a four-mirror optical cavity and collided with an incoming 40 MeV electron beam. The generated X-rays were detected using a microchannel plate (MCP) detector for X-ray yield measurements and a new silicon-on-insulator (SOI) detector system for energy measurements. The detected X-ray yield by the MCP detector was 1756.8±272.2 photons/(244 electron bunches). To extrapolate this result to 1 ms train length under 5 Hz operations, 4.60×10{sup 5} photons/1%-bandwidth were obtained. The peak X-ray energy, which was confirmed by the SOI detector, was 29 keV, and this is consistent with ICS X-rays.

  18. Reciprocal Grids: A Hierarchical Algorithm for Computing Solution X-ray Scattering Curves from Supramolecular Complexes at High Resolution.

    Science.gov (United States)

    Ginsburg, Avi; Ben-Nun, Tal; Asor, Roi; Shemesh, Asaf; Ringel, Israel; Raviv, Uri

    2016-08-22

    In many biochemical processes large biomolecular assemblies play important roles. X-ray scattering is a label-free bulk method that can probe the structure of large self-assembled complexes in solution. As we demonstrate in this paper, solution X-ray scattering can measure complex supramolecular assemblies at high sensitivity and resolution. At high resolution, however, data analysis of larger complexes is computationally demanding. We present an efficient method to compute the scattering curves from complex structures over a wide range of scattering angles. In our computational method, structures are defined as hierarchical trees in which repeating subunits are docked into their assembly symmetries, describing the manner subunits repeat in the structure (in other words, the locations and orientations of the repeating subunits). The amplitude of the assembly is calculated by computing the amplitudes of the basic subunits on 3D reciprocal-space grids, moving up in the hierarchy, calculating the grids of larger structures, and repeating this process for all the leaves and nodes of the tree. For very large structures, we developed a hybrid method that sums grids of smaller subunits in order to avoid numerical artifacts. We developed protocols for obtaining high-resolution solution X-ray scattering data from taxol-free microtubules at a wide range of scattering angles. We then validated our method by adequately modeling these high-resolution data. The higher speed and accuracy of our method, over existing methods, is demonstrated for smaller structures: short microtubule and tobacco mosaic virus. Our algorithm may be integrated into various structure prediction computational tools, simulations, and theoretical models, and provide means for testing their predicted structural model, by calculating the expected X-ray scattering curve and comparing with experimental data. PMID:27410762

  19. SU-E-I-44: Some Preliminary Analysis of Angular Distribution of X-Ray Scattered On Soft Tissues

    Energy Technology Data Exchange (ETDEWEB)

    Ganezer, K; Krmar, M; Cvejic, Z; Rakic, S; Pajic, B [University of Novi Sad, Novi Sad Serbia (Serbia)

    2015-06-15

    Purpose: The angular distribution of x-radiation scattered at small angles (up to 16 degrees) from several different animal soft tissue (skin, fat, muscle, retina, etc) were measured using standard equipment devoted to study of crystal structure which provides excellent geometry conditions of measurements. showed measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Methods: An x-ray scattering profile usually consists of sharp diffraction peak; however some properties of the spatial profiles of scattered radiation as intensity, the peak position, height, area, FWHM, the ratio of peak heights, etc. Results: The data contained measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Measurements of different samples in the very preliminary phase showed that simple biological material used in study showed slightly different scattering pattern, especially at higher angles (around 10degrees). Intensity of radiation scattered from same tissue type is very dependent on water content and several more parameters. Conclusion: This preliminary study using animal soft tissues on the angular distributions of scattered x-rays suggests that angular distributions of X-rays scattered off of soft tissues might be useful in distinguishing healthy tissue from malignant soft tissue.

  20. SU-E-I-44: Some Preliminary Analysis of Angular Distribution of X-Ray Scattered On Soft Tissues

    International Nuclear Information System (INIS)

    Purpose: The angular distribution of x-radiation scattered at small angles (up to 16 degrees) from several different animal soft tissue (skin, fat, muscle, retina, etc) were measured using standard equipment devoted to study of crystal structure which provides excellent geometry conditions of measurements. showed measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Methods: An x-ray scattering profile usually consists of sharp diffraction peak; however some properties of the spatial profiles of scattered radiation as intensity, the peak position, height, area, FWHM, the ratio of peak heights, etc. Results: The data contained measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Measurements of different samples in the very preliminary phase showed that simple biological material used in study showed slightly different scattering pattern, especially at higher angles (around 10degrees). Intensity of radiation scattered from same tissue type is very dependent on water content and several more parameters. Conclusion: This preliminary study using animal soft tissues on the angular distributions of scattered x-rays suggests that angular distributions of X-rays scattered off of soft tissues might be useful in distinguishing healthy tissue from malignant soft tissue

  1. Small angle X ray diffraction investigation of twinned opal_like structures

    NARCIS (Netherlands)

    Samusev, A.K.; Sinev, I.S.; Samusev, K.B.; Rybin, M.V.; Mistonov, A.A.; Grigoryeva, N.A.; Grigoriev, S.V.; Petukhov, A.V.; Byelov, D.; Trofimova, E.Y.; Kurdyukov, D.A.; Golubev, V.G.; Limonov, M.F.

    2012-01-01

    Small angle X ray diffraction from synthetic opal films has been investigated as a function of the orientation of the sample. All the observed (hkl) diffraction reflections have been interpreted. The reconstruct tion of the reciprocal lattice of the studied opal films has been carried out. The diffr

  2. Determination of biological specimen optimal thickness for small-angle X-ray experiments by use polychromatic synchrotron radiation

    International Nuclear Information System (INIS)

    It is put forward the mode of evaluation of biological specimen optimal thickness for small-angle specimen thickness on various synchrotron radiation spectra are calculated. The curves allow to optimize an experiment by selecting either optimal specimen thickness for an available synchrotron radiation spectrum, or the disposition of the short-wave boundary for given specimen thickness (fibers, tissues and so on). The method gives the possibility apart from increasing both of the precision and reproducibility of X-ray experiments, either or both increase of the statistical precision upon given recording time of an X-ray pattern and decrease recording time upon retention of the same statistical precision. The 15-20 % deviation in the specimen thickness from that of optimal one is shown to lead to decrease in the scattering intensity less than 2 %. 15 refs.; 3 figs

  3. Improvement of a high pressure cell with diamond windows for solution X-ray scattering of proteins

    CERN Document Server

    Nishikawa, Y; Inoko, Y; Moritoki, M

    2001-01-01

    An improved high pressure (up to 500 MPa) cell with diamond windows was developed for small-angle X-ray scattering of protein solutions. When the diamond window was subjected to high pressure, many streaks of parasitic scattering appeared. By changing the wavelength and performing simulations, it was concluded that they are Kossel lines. In order to obtain quantitative scattering data, it is essential that Kossel lines do not interfere with the beamstop. The performance of the improved cell was tested by using Apo-ferritin solutions.

  4. DETERMINATION OF DEGREE OF CRYSTALLINITY OF NYLON 1212 BY WIDE-ANGLE X-RAY DIFFRACTION

    Institute of Scientific and Technical Information of China (English)

    Jian-bin Song; Min-qiao Ren; Qing-yong Chen; Shu-yun Wang; Qing-xiang Zhao; Hong-fang Zhang; Zhi-shen Mo

    2004-01-01

    Based on the X-ray scattering intensity theory and using the approximate expression for the atomic scattering factor, the correction factors for three crystalline peaks and an amorphous peak of Nylon 1212 were calculated and the formula of degree of crystallinity of Nylon 1212 was derived by a graphic multipeak resolution method. The degree of crystallinity calculated from the WAXD method is compatible with those obtained by density and calorimetry methods.

  5. Influence of angle's ranges for recording an X-ray fluorescence hologram on reconstructed atomic images

    Institute of Scientific and Technical Information of China (English)

    XIE Hong-Lan; CHEN Jian-Wen; GAO Hong-Yi; ZHU Hua-Feng; LI Ru-Xin; XU Zhi-Zhan

    2004-01-01

    X-ray fluorescence holography (XFH) is a novel method for three-dimensional (3D) imaging of atomic structure. Theoretically, in an XFH experiment, one has to measure the fluorescence energy on a spherical surface to get well-resolved 3D images of atoms. But in practice, the experimental system arrangement does not allow the measurement of the fluorescent intensity oscillations in the full sphere. The holographic information losses because of the limited sampling range (less than 4π) will directly result in defective reconstructed atomic images. In this work, the atomic image of a Fe single crystal (001) was reconstructed by numerically simulating X-ray fluorescence holograms of the crystal at different recording angle's ranges and step lengths. Influences of the ranges of azimuth angles and polar angles and the step length of polar angles on the reconstructed atomic images were discussed.

  6. Dust-grain scattering of X-rays observed during the lunar occultation of a transient X-ray source near the Galactic center

    International Nuclear Information System (INIS)

    Extended X-ray emission surrounding point X-ray sources has been detected in the energy band 1-10 keV during lunar occultation observations of the Galactic center region. These extended X-rays are most likely due to X-ray scattering by interstellar dust grains. The spatial size and the intensity of the extended emission around the transient X-ray source GS 1741.2-2859/1741.6-2849 have been studied extensively. The spatial size is consistent with the typical grain size of about 0.06 micron. The intensity is used to obtain the energy dependence of the scattering optical depth to the source, which suggests the existence of iron in the grains. The ratio of the iron column density contained in the grains to the hydrogen column density of the neutral gas is roughly consistent with the cosmic abundance of iron. 30 refs

  7. X-ray scattering of periodic and graded multilayers: comparison of experiments to simulations from surface microroughness characterization

    CERN Document Server

    Salmaso, B; Canestrari, R; Raimondi, L; 10.1016/j.nima.2012.10.104

    2013-01-01

    To enhance the reflectivity of X-ray mirrors beyond the critical angle, multilayer coatings are required. Interface imperfections in the multilayer growth process are known to cause non-specular scattering and degrade the mirror optical performance; therefore, it is important to predict the amount of X-ray scattering from the rough topography of the outer surface of the coating, which can be directly measured, e.g., with an Atomic Force Microscope (AFM). This kind of characterization, combined with X-ray reflectivity measurements to assess the deep multilayer stack structure, can be used to model the layer roughening during the growth process via a well-known roughness evolution model. In this work, X-ray scattering measurements are performed and compared with simulations obtained from the modeled interfacial Power Spectral Densities (PSDs) and the modeled Crossed Spectral Densities for all the couples of interfaces. We already used this approach in a previous work for periodic multilayers; we now show how th...

  8. Echo Emission From Dust Scattering and X-Ray Afterglows of Gamma-Ray Bursts

    CERN Document Server

    Shao, L; Mirabal, N

    2007-01-01

    We investigate the effect of X-ray echo emission in gamma-ray bursts (GRBs). We find that the echo emission can provide an alternative way of understanding X-ray shallow decays and jet breaks. In particular, a shallow decay followed by a "normal" decay and a further rapid decay of X-ray afterglows can be together explained as being due to the echo from prompt X-ray emission scattered by dust grains in a massive wind bubble around a GRB progenitor. We also introduce an extra temporal break in the X-ray echo emission. By fitting the afterglow light curves, we can measure the locations of the massive wind bubbles, which will bring us closer to finding the mass loss rate, wind velocity, and the age of the progenitors prior to the GRB explosions.

  9. The X-ray Polarization Signature of Quiescent Magnetars: Effect of Magnetospheric Scattering and Vacuum Polarization

    Science.gov (United States)

    Fernández, Rodrigo; Davis, Shane W.

    2011-04-01

    In the magnetar model, the quiescent non-thermal soft X-ray emission from anomalous X-ray pulsars and soft gamma repeaters is thought to arise from resonant Comptonization of thermal photons by charges moving in a twisted magnetosphere. Robust inference of physical quantities from observations is difficult, because the process depends strongly on geometry, and current understanding of the magnetosphere is not very deep. The polarization of soft X-ray photons is an independent source of information, and its magnetospheric imprint remains only partially explored. In this paper, we calculate how resonant cyclotron scattering would modify the observed polarization signal relative to the surface emission, using a multidimensional Monte Carlo radiative transfer code that accounts for the gradual coupling of polarization eigenmodes as photons leave the magnetosphere. We employ a globally twisted, self-similar, force-free magnetosphere with a power-law momentum distribution, assume a blackbody spectrum for the seed photons, account for general relativistic light deflection close to the star, and assume that vacuum polarization dominates the dielectric properties of the magnetosphere. The latter is a good approximation if the pair multiplicity is not much larger than unity. Phase-averaged polarimetry is able to provide a clear signature of the magnetospheric reprocessing of thermal photons and to constrain mechanisms generating the thermal emission. Phase-resolved polarimetry, in addition, can characterize the spatial extent and magnitude of the magnetospheric twist angle at ~100 stellar radii, and discern between uni- or bidirectional particle energy distributions, almost independently of every other parameter in the system. We discuss prospects for detectability with the Gravity and Extreme Magnetism (GEMS) mission.

  10. Synchrotron X-ray Scattering Studies of Poly(lactide) Electrospun Fibers Containing Carbon Nanotubes

    Science.gov (United States)

    Zhu, Yazhe; Cebe, Peggy

    2014-03-01

    Carbon nanotubes(CNTs) often serve as an effective nucleating agent that facilitates the crystallization of semicrystalline polymers. Here we study the influence of CNTs on thermal and structural properties of Poly-lactide (PLA), which is well-known as a biodegradable and biocompatible thermoplastic polymer. The effect of CNTs on the crystallization and melting behavior of electrospun fibers of poly (L-lactide) (PLLA, with 100% L-isomer) and poly (D-lactide) (PDLA, containing 4% D-isomer) was systemically studied by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform spectroscopy(FT-IR) and real time synchrotron wide-angle X-ray scattering (WAXS) . Multi-walled CNTs were co-electrospun with the poly(lactides) in weight ratios ranging from 0.1 to 4.0 wt% MW-CNT. PLA/carbon nanotubes composite electrospun fibers were successfully produced by appropriate choice of processing conditions and solution concentration. The morphologies of neat and CNT-filled electrospun nanofibers were observed by scanning electron microscopy. WAXS and DSC results show that lower content of CNTs contributes to higher speed of crystallization. However the results also showed that at the highest concentration of CNTs the ultimate crystallinity was reduced. FTIR and X-ray results show that PLA fibers have different crystal forms at high and low crystallization temperature. DSC results also show that D-lactide has reduced crystallinity compared to L-lactide.

  11. Advanced X-Ray scattering methods for the study of structure and its evolution in soft materials with fiber symmetry

    International Nuclear Information System (INIS)

    Three recently developed evaluation methods for the automated quantitative analysis of X-ray scattering data (small-angle (SAXS) and wide-angle (WAXS)) are presented. They are applicable to extensive series of 2D patterns that are recorded in studies of polymer materials with uniaxial symmetry. The experiments comprise time-resolved studies (melting, crystallization, mechanical properties and fatigue) as well as microbeam-scanning for the study of nanostructure gradients. The methods appear suitable to manage the data flood from modern synchrotron radiation setups aiming at the extraction of quantitative information on the structure evolution inside the material. In microbeam-scanning experiments the recorded scattering patterns are smeared. It is proposed to reconstruct desmeared scattering patterns by an X-ray scattering fiber-computer-tomography (XS-FCT). Reconstruction aberrations yield additional structure information. The true structure variation along the fiber radius is established. Compared to general tomography the experiment is faster by a factor of 100, and reconstruction is faster by a factor of 104. In WAXS fiber patterns should first be mapped into reciprocal space before analysis. After having corrected an erroneous tilt-angle equation, automatic tilt-angle tracking and mapping becomes possible. If polymers fail at low strain, the determination of strain and of structural parameters from the scattering patterns require very high accuracy because the observed variations are subtle. Suitable methods are presented both for the high-precision determination of the macroscopic strain, and for the determination of subtle variations of structure parameters.

  12. PLEIADES: a picosecond Compton scattering x-ray source for advanced backlighting and time-resolved material studies

    Energy Technology Data Exchange (ETDEWEB)

    Gibson, D J; Anderson, S G; Barty, C P; Betts, S M; Booth, R; Brown, W J; Crane, J K; Cross, R R; Fittinghoff, D N; Hartemann, F V; Kuba, J; Le Sage, G P; Tremaine, A M; Springer, P T; Rosenzweig, J B

    2003-10-20

    The PLEIADES (Picosecond Laser-Electron Inter-Action for the Dynamical Evaluation of Structures) facility has produced first light at 70 keV. This milestone offers a new opportunity to develop laser-driven, compact, tunable x-ray sources for critical applications such as diagnostics for the National Ignition Facility and time-resolved material studies. The electron beam was focused to 50 {micro}m rms, at 57 MeV, with 260 C of charge, a relative energy spread of 0.2%, and a normalized emittance of 5 mm mrad horizontally and 13 mm mrad vertically. The scattered 820-nm laser pulse had an energy of 180 mJ and a duration of 54 fs. Initial x-rays were captured with a cooled charge-coupled device using a Cesium Iodide scintillator; the peak photon energy was approximately 78 keV, with a total x-ray flux of 1.3 x 10{sup 6} photons/shot, and the observed angular distribution found to agree very well with three-dimensional codes. Simple K-edge radiography of a tantalum foil showed good agreement with the theoretical divergence-angle dependence of the x-ray energy. Optimization of the x-ray dose is currently underway, with the goal of reaching 10{sup 8} photons per shot and a peak brightness approaching 10{sup 20} photons/mm{sup 2}/mrad{sup 2}/s/0.1%bandwidth.

  13. A flexible setup for angle-resolved X-ray fluorescence spectrometry with laboratory sources.

    Science.gov (United States)

    Spanier, M; Herzog, C; Grötzsch, D; Kramer, F; Mantouvalou, I; Lubeck, J; Weser, J; Streeck, C; Malzer, W; Beckhoff, B; Kanngießer, B

    2016-03-01

    X-ray fluorescence (XRF) analysis is one of the standard tools for the analysis of stratified materials and is widely applied for the investigation of electronics and coatings. The composition and thickness of the layers can be determined quantitatively and non-destructively. Recent work showed that these capabilities can be extended towards retrieving stratigraphic information like concentration depth profiles using angle-resolved XRF (ARXRF). This paper introduces an experimental sample chamber which was developed as a multi-purpose tool enabling different measurement geometries suited for transmission measurements, conventional XRF, ARXRF, etc. The chamber was specifically designed for attaching all kinds of laboratory X-ray sources for the soft and hard X-ray ranges as well as various detection systems. In detail, a setup for ARXRF using an X-ray tube with a polycapillary X-ray lens as source is presented. For such a type of setup, both the spectral and lateral characterizations of the radiation field are crucial for quantitative ARXRF measurements. The characterization is validated with the help of a stratified validation sample. PMID:27036820

  14. A flexible setup for angle-resolved X-ray fluorescence spectrometry with laboratory sources

    Science.gov (United States)

    Spanier, M.; Herzog, C.; Grötzsch, D.; Kramer, F.; Mantouvalou, I.; Lubeck, J.; Weser, J.; Streeck, C.; Malzer, W.; Beckhoff, B.; Kanngießer, B.

    2016-03-01

    X-ray fluorescence (XRF) analysis is one of the standard tools for the analysis of stratified materials and is widely applied for the investigation of electronics and coatings. The composition and thickness of the layers can be determined quantitatively and non-destructively. Recent work showed that these capabilities can be extended towards retrieving stratigraphic information like concentration depth profiles using angle-resolved XRF (ARXRF). This paper introduces an experimental sample chamber which was developed as a multi-purpose tool enabling different measurement geometries suited for transmission measurements, conventional XRF, ARXRF, etc. The chamber was specifically designed for attaching all kinds of laboratory X-ray sources for the soft and hard X-ray ranges as well as various detection systems. In detail, a setup for ARXRF using an X-ray tube with a polycapillary X-ray lens as source is presented. For such a type of setup, both the spectral and lateral characterizations of the radiation field are crucial for quantitative ARXRF measurements. The characterization is validated with the help of a stratified validation sample.

  15. LIGHT SOURCE: A simulation study of Tsinghua Thomson scattering X-ray source

    Science.gov (United States)

    Tang, Chuan-Xiang; Li, Ren-Kai; Huang, Wen-Hui; Chen, Huai-Bi; Du, Ying-Chao; Du, Qiang; Du, Tai-Bin; He, Xiao-Zhong; Hua, Jian-Fei; Lin, Yu-Zhen; Qian, Hou-Jun; Shi, Jia-Ru; Xiang, Dao; Yan, Li-Xin; Yu, Pei-Cheng

    2009-06-01

    Thomson scattering X-ray sources are compact and affordable facilities that produce short duration, high brightness X-ray pulses enabling new experimental capacities in ultra-fast science studies, and also medical and industrial applications. Such a facility has been built at the Accelerator Laboratory of Tsinghua University, and upgrade is in progress. In this paper, we present a proposed layout of the upgrade with design parameters by simulation, aiming at high X-ray pulses flux and brightness, and also enabling advanced dynamics studies and applications of the electron beam. Design and construction status of main subsystems are also presented.

  16. Soft X-ray production by photon scattering in pulsating binary neutron star sources

    Science.gov (United States)

    Bussard, R. W.; Meszaros, P.; Alexander, S.

    1985-01-01

    A new mechanism is proposed as a source of soft (less than 1 keV) radiation in binary pulsating X-ray sources, in the form of photon scattering which leaves the electron in an excited Landau level. In a plasma with parameters typical of such sources, the low-energy X-ray emissivity of this mechanism far exceeds that of bremsstrahlung. This copious source of soft photons is quite adequate to provide the seed photons needed to explain the power-law hard X-ray spectrum by inverse Comptonization on the hot electrons at the base of the accretion column.

  17. X-ray scattering and absorption studies of MnAs/GaAs heterostructures

    Science.gov (United States)

    Huang, S.; Ming, Z. H.; Soo, Y. L.; Kao, Y. H.; Tanaka, M.; Munekata, H.

    1996-02-01

    Ferromagnetic MnAs thin films grown on GaAs (001) substrates by molecular-beam epitaxy have been studied by the methods of grazing incidence x-ray scattering, x-ray diffraction, and extended x-ray-absorption fine structure. Microstructures in two films prepared with different first-layer growth conditions (template effects) are compared in terms of the interfacial roughness in the layer structure, lattice constants, epilayer thickness, local environment surrounding the Mn atoms, coordination number, and local disorder. Our results indicate that the template effects can cause significant differences in the local structures and crystallinity of the MnAs epitaxial layers.

  18. A simulation study of Tsinghua Thomson scattering X-ray source

    Institute of Scientific and Technical Information of China (English)

    TANG Chuan-Xiang; LI Ren-Kai; HUANG Wen-Hui; CHEN Huai-Bi; DU Ying-Chao; DU Qiang; DU Tai-Bin; HE Xiao-Zhong; HUA Jian-Fei; LIN Yu-Zhen; QIAN Hou-Jun; SHI Jia-Ru; XIANG Dao; YAN Li-Xin; Yu Pei-Cheng

    2009-01-01

    Thomson scattering X-ray sources are compact and afrordable facifities that produce short duration,high brightness X-ray pulses enabling new experimental capacities in ultra-fast science studies,and also medical and industrial applications.Such a facility has been built at the Accelerator Laboratory of Tsinghua University,and upgrade is in progress.In this paper,we present a proposed layout of the upgrade with design parameters by simulation,aiming at high X-ray pulses flux and brightness,and also enabling advanced dynamics studies and applications of the electron beam.Design and construction status of main subsystems are also presented.

  19. Limited-angle tomography for analyzer-based phase-contrast x-ray imaging

    International Nuclear Information System (INIS)

    Multiple-image radiography (MIR) is an analyzer-based phase-contrast x-ray imaging method, which is emerging as a potential alternative to conventional radiography. MIR simultaneously generates three planar parametric images containing information about scattering, refraction and attenuation properties of the object. The MIR planar images are linear tomographic projections of the corresponding object properties, which allows reconstruction of volumetric images using computed tomography (CT) methods. However, when acquiring a full range of linear projections around the tissue of interest is not feasible or the scanning time is limited, limited-angle tomography techniques can be used to reconstruct these volumetric images near the central plane, which is the plane that contains the pivot point of the tomographic movement. In this work, we use computer simulations to explore the applicability of limited-angle tomography to MIR. We also investigate the accuracy of reconstructions as a function of number of tomographic angles for a fixed total radiation exposure. We use this function to find an optimal range of angles over which data should be acquired for limited-angle tomography MIR (LAT-MIR). Next, we apply the LAT-MIR technique to experimentally acquired MIR projections obtained in a cadaveric human thumb study. We compare the reconstructed slices near the central plane to the same slices reconstructed by CT-MIR using the full angular view around the object. Finally, we perform a task-based evaluation of LAT-MIR performance for different numbers of angular views, and use template matching to detect cartilage in the refraction image near the central plane. We use the signal-to-noise ratio of this test as the detectability metric to investigate an optimum range of tomographic angles for detecting soft tissues in LAT-MIR. Both results show that there is an optimum range of angular view for data acquisition where LAT-MIR yields the best performance, comparable to CT

  20. Limited-angle tomography for analyzer-based phase-contrast x-ray imaging

    Science.gov (United States)

    Majidi, Keivan; Wernick, Miles N.; Li, Jun; Muehleman, Carol; Brankov, Jovan G.

    2014-07-01

    Multiple-image radiography (MIR) is an analyzer-based phase-contrast x-ray imaging method, which is emerging as a potential alternative to conventional radiography. MIR simultaneously generates three planar parametric images containing information about scattering, refraction and attenuation properties of the object. The MIR planar images are linear tomographic projections of the corresponding object properties, which allows reconstruction of volumetric images using computed tomography (CT) methods. However, when acquiring a full range of linear projections around the tissue of interest is not feasible or the scanning time is limited, limited-angle tomography techniques can be used to reconstruct these volumetric images near the central plane, which is the plane that contains the pivot point of the tomographic movement. In this work, we use computer simulations to explore the applicability of limited-angle tomography to MIR. We also investigate the accuracy of reconstructions as a function of number of tomographic angles for a fixed total radiation exposure. We use this function to find an optimal range of angles over which data should be acquired for limited-angle tomography MIR (LAT-MIR). Next, we apply the LAT-MIR technique to experimentally acquired MIR projections obtained in a cadaveric human thumb study. We compare the reconstructed slices near the central plane to the same slices reconstructed by CT-MIR using the full angular view around the object. Finally, we perform a task-based evaluation of LAT-MIR performance for different numbers of angular views, and use template matching to detect cartilage in the refraction image near the central plane. We use the signal-to-noise ratio of this test as the detectability metric to investigate an optimum range of tomographic angles for detecting soft tissues in LAT-MIR. Both results show that there is an optimum range of angular view for data acquisition where LAT-MIR yields the best performance, comparable to CT

  1. Entangled valence electron-hole dynamics revealed by stimulated attosecond x-ray Raman scattering

    Energy Technology Data Exchange (ETDEWEB)

    Healion, Daniel; Zhang, Yu; Biggs, Jason D.; Govind, Niranjan; Mukamel, Shaul

    2012-09-06

    We show that broadband x-ray pulses can create wavepackets of valence electrons and holes localized in the vicinity of a selected atom (nitrogen, oxygen or sulfur in cysteine) by resonant stimulated Raman scattering. The subsequent dynamics reveals highly correlated motions of entangled electrons and hole quasiparticles. This information goes beyond the time-dependent total charge density derived from x-ray diffraction.

  2. Ion chamber area monitor for low level scattered x-rays

    International Nuclear Information System (INIS)

    An economical, high confidence instrument was developed for laboratories using low energy x-rays. The instrument detects increases in background caused by scattered radiation. Exposure rates close to the open part of the x-ray tubes are of the order of 103 to 106 R/min. A few meters away the background is a few tenths of a mR/hr

  3. The structure of liquid semiconductors, superionic conductors and glasses by neutron scattering, X-ray diffraction and extended X-ray absorption fine structure

    CERN Document Server

    Buchanan, P

    2001-01-01

    NDIS technique alone. The structure of liquid FeTe sub 2 was determined at the total structure factor level using neutron diffraction in order to estimate the effect of chalcogenide ion size on the structure. The results demonstrate the feasibility of the additional structural determination techniques for disordered materials made possible through the development of third generation X-ray synchrotron sources. A study of the applicability of modern X-ray and neutron scattering techniques to the study of the structure of liquid semiconductors and glasses has been made. The results demonstrate how neutron scattering with isotopic substitution (NDIS), anomalous X-ray scattering and Extended X-ray Absorption Fine Structure (EXAFS) can be successfully used to elucidate the structure of materials that cannot be studied by NDIS alone. The local coordination structure of Ag sub 2 Se in its room temperature, superionic and liquid phases has been determined using the EXAFS technique. This EXAFS data have been combined w...

  4. X-ray Radiography and Scattering Diagnosis of Dense Shock-Compressed Matter

    Science.gov (United States)

    Lepape, Sebastien

    2009-11-01

    Spectrally resolved x-ray Thomson scattering is an established technique that allows characterizing Fermi degenerate dense plasmas accessible in laser shocked-compressed foil experiments. It has been used in a variety of experiments that, besides measuring plasma density and temperature, served as critical test for models that calculate important plasma parameters like structure factors, bound-free contributions, and ionization energy lowering in warm dense matter. Experiments realized at the TITAN facility at Lawrence Livermore National Laboratory apply ultra-short pulse laser produced K- x rays to characterize plasmas at pressures above 1.5 Mbar that are produced with an energetic nanosecond laser. High energy x-rays produced by the short pulse laser allow probing compressed matter with a high temporal resolution (about 10 ps). From collective and non-collective scattering spectra mass density of the compressed Boron is inferred. X-ray radiography has been used as an independent way to characterize the mass density of matter for identical drive conditions. Here, we use K- X rays in a point projection scheme to probe the shock wave. Densities ranging from 3 to 4 g/cc have been measured, in excellent agreement with the x-ray Thomson scattering data. These radiography data combined with accurate measurement of the Plasmon dispersion in shocked Boron help improving the accuracy of the collision model as well as structure factor calculation.

  5. Studies of oxide-based thin-layered heterostructures by X-ray scattering methods

    Energy Technology Data Exchange (ETDEWEB)

    Durand, O. [Thales Research and Technology France, Route Departementale 128, F-91767 Palaiseau Cedex (France)]. E-mail: olivier.durand@thalesgroup.com; Rogers, D. [Nanovation SARL, 103 bis rue de Versailles 91400 Orsay (France); Universite de Technologie de Troyes, 10-12 rue Marie Curie, 10010 (France); Teherani, F. Hosseini [Nanovation SARL, 103 bis rue de Versailles 91400 Orsay (France); Andrieux, M. [LEMHE, ICMMOCNRS-UMR 8182, Universite d' Orsay, Batiment 410, 91410 Orsay (France); Modreanu, M. [Tyndall National Institute, Lee Maltings, Prospect Row, Cork (Ireland)

    2007-06-04

    Some X-ray scattering methods (X-ray reflectometry and Diffractometry) dedicated to the study of thin-layered heterostructures are presented with a particular focus, for practical purposes, on the description of fast, accurate and robust techniques. The use of X-ray scattering metrology as a routinely working non-destructive testing method, particularly by using procedures simplifying the data-evaluation, is emphasized. The model-independent Fourier-inversion method applied to a reflectivity curve allows a fast determination of the individual layer thicknesses. We demonstrate the capability of this method by reporting X-ray reflectometry study on multilayered oxide structures, even when the number of the layers constitutive of the stack is not known a-priori. Fast Fourier transform-based procedure has also been employed successfully on high resolution X-ray diffraction profiles. A study of the reliability of the integral-breadth methods in diffraction line-broadening analysis applied to thin layers, in order to determine coherent domain sizes, is also reported. Examples from studies of oxides-based thin-layers heterostructures will illustrate these methods. In particular, X-ray scattering studies performed on high-k HfO{sub 2} and SrZrO{sub 3} thin-layers, a (GaAs/AlOx) waveguide, and a ZnO thin-layer are reported.

  6. Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering.

    Science.gov (United States)

    Gao, Xuan; Casa, Diego; Kim, Jungho; Gog, Thomas; Li, Chengyang; Burns, Clement

    2016-08-01

    Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Here we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals.

  7. Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering

    Science.gov (United States)

    Gao, Xuan; Casa, Diego; Kim, Jungho; Gog, Thomas; Li, Chengyang; Burns, Clement

    2016-08-01

    Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Here we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals.

  8. Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering.

    Science.gov (United States)

    Gao, Xuan; Casa, Diego; Kim, Jungho; Gog, Thomas; Li, Chengyang; Burns, Clement

    2016-08-01

    Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Here we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals. PMID:27587100

  9. Tracking the density evolution in counter-propagating shock waves using imaging X-ray scattering

    Science.gov (United States)

    Zastrau, U.; Gamboa, E. J.; Kraus, D.; Benage, J. F.; Drake, R. P.; Efthimion, P.; Falk, K.; Falcone, R. W.; Fletcher, L. B.; Galtier, E.; Gauthier, M.; Granados, E.; Hastings, J. B.; Heimann, P.; Hill, K.; Keiter, P. A.; Lu, J.; MacDonald, M. J.; Montgomery, D. S.; Nagler, B.; Pablant, N.; Schropp, A.; Tobias, B.; Gericke, D. O.; Glenzer, S. H.; Lee, H. J.

    2016-07-01

    We present results from time-resolved X-ray imaging and inelastic scattering on collective excitations. These data are then employed to infer the mass density evolution within laser-driven shock waves. In our experiments, thin carbon foils are first strongly compressed and then driven into a dense state by counter-propagating shock waves. The different measurements agree that the graphite sample is about twofold compressed when the shock waves collide, and a sharp increase in forward scattering indicates disassembly of the sample 1 ns thereafter. We can benchmark hydrodynamics simulations of colliding shock waves by the X-ray scattering methods employed.

  10. An X-ray and Neutron Scattering Study of the Formation of Core-Shell Type Polyoxometalates

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Panchao; Wu, Bin; Mamontov, Eugene; Daemen, Luke L.; Cheng, Yongqiang; Li, Tao; Seifert, Soenke; Hong, Kunlun; Bonnesen, Peter V.; Keum, Jong Kahk; Ramirez-Cuesta, Anibal J.

    2016-03-02

    A typical type of core-shell polyoxometalates can be obtained through the Keggin-type polyoxometalatetemplated growth of a layer of spherical shell structure of {Mo72Fe30}. Small angle X-ray scattering is used to study the structural features and stability of the core-shell structures in aqueous solutions. Timeresolved small angle X-ray scattering is applied to monitor the synthetic reactions and a three-stage formation mechanism is proposed to describe the synthesis of the core-shell polyoxometalates based on the monitoring results. New protocols have been developed by fitting the X-ray data with customed physical models, which provide more convincing, objective, and completed data interpretation. Quasielastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core-shell structures and two different types of water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures.

  11. The Hard X-Ray Spectrum of NGC 1365: Scattered Light, Not Black Hole Spin

    Science.gov (United States)

    Miller, L.; Turner, T. J.

    2013-08-01

    Active galactic nuclei (AGNs) show excess X-ray emission above 10 keV compared with extrapolation of spectra from lower energies. Risaliti et al. have recently attempted to model the hard X-ray excess in the type 1.8 AGN NGC 1365, concluding that the hard excess most likely arises from Compton-scattered reflection of X-rays from an inner accretion disk close to the black hole. Their analysis disfavored a model in which the hard excess arises from a high column density of circumnuclear gas partially covering a primary X-ray source, despite such components being required in the NGC 1365 data below 10 keV. Using a Monte Carlo radiative transfer approach, we demonstrate that this conclusion is invalidated by (1) use of slab absorption models, which have unrealistic transmission spectra for partial covering gas, (2) neglect of the effect of Compton scattering on transmitted spectra, and (3) inadequate modeling of the spectrum of scattered X-rays. The scattered spectrum is geometry-dependent and, for high global covering factors, may dominate above 10 keV. We further show that, in models of circumnuclear gas, the suppression of the observed hard X-ray flux by reprocessing may be no larger than required by the "light bending" model invoked for inner disk reflection, and the expected emission line strengths lie within the observed range. We conclude that the time-invariant "red wing" in AGN X-ray spectra is probably caused by continuum transmitted through and scattered from circumnuclear gas, not by highly redshifted line emission, and that measurement of black hole spin is not possible.

  12. Conformation of heparin studied with macromolecular hydrodynamic methods and X-ray scattering.

    Science.gov (United States)

    Pavlov, Georges; Finet, Stéphanie; Tatarenko, Karine; Korneeva, Evgueniya; Ebel, Christine

    2003-08-01

    The hydrodynamic characteristics of heparin fractions in a 0.2 M NaCl solution have been determined. Experimental values varied over the following ranges: the sedimentation coefficient (at 20.0 degrees C), 1.3angle X-ray scattering for three heparin fractions allowed an estimate for the cross-sectional radius of gyration as 0.43 nm; from the evolution with the macromolecule contour length of the radius of gyration, a value for the Kuhn segment length of 9 +/- 1 nm was obtained. A good correlation is thus observed for the conformational parameters of heparin from hydrodynamic and X-ray scattering data. These values describe heparin as a semi-rigid polymer, with an equilibrium rigidity that is essentially determined by a structural component, the electrostatic contribution being negligible in 0.2 M NaCl.

  13. Determination of line profiles on photomasks using DUV, EUV, and x-ray scattering

    Science.gov (United States)

    Scholze, F.; Bodermann, B.; Burger, S.; Endres, J.; Haase, A.; Krumrey, M.; Laubis, C.; Soltwisch, V.; Ullrich, A.; Wernecke, J.

    2014-10-01

    Non-imaging techniques like X-ray scattering are supposed to play an important role in the further development of CD metrology for the semiconductor industry. GISAXS provides directly assessable information on structure roughness and long-range periodic perturbations. The disadvantage of the method is the large footprint of the X-ray beam on the sample due to the extremely shallow angle of incidence. This can be overcome by using wavelengths in the extreme ultraviolet (EUV) spectral range which allow for much steeper angles of incidence but preserve the large range of momentum transfer that can be observed. At the Physikalisch-Technische Bundesanstalt (PTB), the available photon energy range extends from 50 eV up to 10 keV at two adjacent beamlines. PTB commissioned a new versatile Ellipso-Scatterometer which is capable of measuring 6" square substrates in a clean, hydrocarbon-free environment with full flexibility regarding the direction of the incident light polarization. The reconstruction of line profiles using a geometrical model with six free parameters, a finite element method (FEM) Maxwell solver and least-squares optimization yielded consistent results for EUV and deep ultraviolet (DUV) scatterometry. For EUV photomasks, the actinic wavelength EUV scatterometry yields particular advantages. A significant polarization dependence of the diffraction intensities for 0th and +1st orders in the geometry with the grating lines perpendicular to the plane of reflection is observed and the 0th order intensity shows sufficient sensitivity to the line width such that a CD-resolution below 0.1 nm is within reach. In this contribution we present scatterometry data for line gratings using GISAXS, and EUV and DUV scatterometry and consistent reconstruction results of the line geometry for EUV and DUV scatterometry.

  14. Technical Development of Profile Measurement for the Soft X-Ray Via Compton Backward Scattering

    CERN Document Server

    Saito, Taku; Hayano, Hitoshi; Hidume, Kentaro; Kashiwagi, Shigeru; Kuroda, Ryunosuke; Minamiguchi, Shuichi; Oshima, Akihiro; Ueyama, Daisuke; Urakawa, Junji; Washio, Masakazu

    2005-01-01

    A compact X-ray source is called for such various fields as material development, biological science, and medical treatment. At Waseda University, we have already succeeded to generate the soft X-ray of the wavelength within so-called water window region (250-500eV) via Compton backward scattering between 1047nm Nd:YLF laser and 4.2MeV high quality electron beam. Although this method equips some useful characters, e.g. high intensity, short pulse, energy variableness, etc, the X-ray generating system is compact enough to fit in tabletop size. In the next step, there rises two principal tasks, that is, to make the soft X-ray intensity higher, and to progress X-ray profile measurement techniques as preliminary experiments for biomicroscopy. Specifically, we utilize two-pass amp for the former, and irradiate X-ray to a resist film which is previously exposed by UV lamp or get images with X-ray CCD for the latter. In this conference, we will show the experimental results and some future plans.

  15. Magnetic x-ray scattering from f-electron systems

    International Nuclear Information System (INIS)

    Full text: Photons are scattered only very weakly by magnetic moments (some 10-6 less on average than they are scattered by the electron charge) so the observation of magnetism with photon beams always resembles a tour-de-force experiment, and is difficult even with today's new synchrotron sources. On the other hand, what has been discovered is that this small cross section becomes appreciably, and in some cases enormously, enhanced when the photon energy is tuned to a particular absorption edge of the magnetic element in the material. This, and the development of the related theories, has led to a large number of experiments in dichroism and scattering at synchrotrons using resonant photons. Obviously, the information is element specific, but it also gives new information about magnetic materials that was not previously available. For scattering experiments, in particular, the information is complementary to that obtained by neutron scattering. This talk will give the underlying principles of resonant magnetic effects, both dichroism and scattering, and then give a number of examples in scattering investigations of antiferromagnets in 4 f and 5 f systems. In the latter, the enhancements are so great when the energy is tuned to the M-edges (3.73 keV for uranium) that completely new experiments can be performed on thin films, surfaces, and very small samples

  16. Optimal main pulse angle for different preplasma conditions in transient collisionally pumped x-ray lasers.

    Science.gov (United States)

    Ursescu, Daniel; Zielbauer, Bernhard; Kuehl, Thomas; Neumayer, Paul; Pert, Geoff

    2007-04-01

    The effects of the incidence angle of the main pump (MP) pulse in non-normal pumping geometry and the influence of the MP duration are investigated experimentally and theoretically for a transient collisionally pumped (TCE) x-ray laser in Ni-like Zr at 45 degrees and 72 degrees incidence angle on the target. The way they transfer to the x-ray laser output depends on the preplasma conditions, most notably on the average ionization distribution at the arrival of the MP. Moreover, contrary to previous grazing incidence pumping results, it is found that the shortest attainable MP maximizes the output. Modeling of the experimental results is performed with EHYBRID code. The results are important for scaling high repetition-rate non-normal incidence pumped lasers to sub- 10nm wavelengths.

  17. X-Ray Scatter Correction on Soft Tissue Images for Portable Cone Beam CT.

    Science.gov (United States)

    Aootaphao, Sorapong; Thongvigitmanee, Saowapak S; Rajruangrabin, Jartuwat; Thanasupsombat, Chalinee; Srivongsa, Tanapon; Thajchayapong, Pairash

    2016-01-01

    Soft tissue images from portable cone beam computed tomography (CBCT) scanners can be used for diagnosis and detection of tumor, cancer, intracerebral hemorrhage, and so forth. Due to large field of view, X-ray scattering which is the main cause of artifacts degrades image quality, such as cupping artifacts, CT number inaccuracy, and low contrast, especially on soft tissue images. In this work, we propose the X-ray scatter correction method for improving soft tissue images. The X-ray scatter correction scheme to estimate X-ray scatter signals is based on the deconvolution technique using the maximum likelihood estimation maximization (MLEM) method. The scatter kernels are obtained by simulating the PMMA sheet on the Monte Carlo simulation (MCS) software. In the experiment, we used the QRM phantom to quantitatively compare with fan-beam CT (FBCT) data in terms of CT number values, contrast to noise ratio, cupping artifacts, and low contrast detectability. Moreover, the PH3 angiography phantom was also used to mimic human soft tissues in the brain. The reconstructed images with our proposed scatter correction show significant improvement on image quality. Thus the proposed scatter correction technique has high potential to detect soft tissues in the brain. PMID:27022608

  18. X-Ray Scatter Correction on Soft Tissue Images for Portable Cone Beam CT

    Directory of Open Access Journals (Sweden)

    Sorapong Aootaphao

    2016-01-01

    Full Text Available Soft tissue images from portable cone beam computed tomography (CBCT scanners can be used for diagnosis and detection of tumor, cancer, intracerebral hemorrhage, and so forth. Due to large field of view, X-ray scattering which is the main cause of artifacts degrades image quality, such as cupping artifacts, CT number inaccuracy, and low contrast, especially on soft tissue images. In this work, we propose the X-ray scatter correction method for improving soft tissue images. The X-ray scatter correction scheme to estimate X-ray scatter signals is based on the deconvolution technique using the maximum likelihood estimation maximization (MLEM method. The scatter kernels are obtained by simulating the PMMA sheet on the Monte Carlo simulation (MCS software. In the experiment, we used the QRM phantom to quantitatively compare with fan-beam CT (FBCT data in terms of CT number values, contrast to noise ratio, cupping artifacts, and low contrast detectability. Moreover, the PH3 angiography phantom was also used to mimic human soft tissues in the brain. The reconstructed images with our proposed scatter correction show significant improvement on image quality. Thus the proposed scatter correction technique has high potential to detect soft tissues in the brain.

  19. The hard X-ray spectrum of NGC 1365: scattered light, not black hole spin

    CERN Document Server

    Miller, L

    2013-01-01

    Active Galactic Nuclei (AGN) show excess X-ray emission above 10 keV compared with extrapolation of spectra from lower energies. Risaliti et al. have recently attempted to model the hard X-ray excess in the type 1.8 AGN NGC 1365, concluding that the hard excess most likely arises from Compton-scattered reflection of X-rays from an inner accretion disk close to the black hole. Their analysis disfavored a model in which the hard excess arises from a high column density of circumnuclear gas partially covering a primary X-ray source, despite such components being required in the NGC 1365 data below 10 keV. Using a Monte Carlo radiative transfer approach, we demonstrate that this conclusion is invalidated by (i) use of slab absorption models, which have unrealistic transmission spectra for partial covering gas, (ii) neglect of the effect of Compton scattering on transmitted spectra and (iii) inadequate modeling of the expected spectrum of scattered X-rays. The scattered spectrum is geometry dependent and, for high...

  20. Location of two antioxidants in oriented model membranes. Small-angle x-ray diffraction study.

    OpenAIRE

    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 Fouri...

  1. Experimental elucidation: microscopic mechanism of resonant X-ray scattering in manganite films

    CERN Document Server

    Ohsumi, H; Kiyama, T

    2003-01-01

    Resonant X-ray scattering experiments have been performed on perovskite manganite La sub 0 sub . sub 5 Sr sub 0 sub . sub 5 MnO sub 3 thin films, which are grown on three distinct perovskite with a coherent epitaxial strain and have a forced ferro-type orbital ordering of Mn 3d orbitals. Using an interference technique, we have successfully observed the resonant X-ray scattering signal from the system having the ferro-type orbital ordering and also revealed the energy scheme of Mn 4p bands. For the forced ferro-type orbital ordering system, the present results evidence that the resonant X-ray scattering signal originates from the band structure effect due to the Jahn-Teller distortion of a MnO sub 6 octahedron, and not from the Coulomb interaction between 3d and 4p electrons. (author)

  2. X-ray Thomson scattering measurements from hohlraum-driven spheres on the OMEGA laser

    Science.gov (United States)

    Saunders, A. M.; Jenei, A.; Döppner, T.; Falcone, R. W.; Kraus, D.; Kritcher, A.; Landen, O. L.; Nilsen, J.; Swift, D.

    2016-11-01

    X-ray Thomson scattering (XRTS) is a powerful diagnostic for probing warm and hot dense matter. We present the design and results of the first XRTS experiments with hohlraum-driven CH2 targets on the OMEGA laser facility at the Laboratory for Laser Energetics in Rochester, NY. X-rays seen directly from the XRTS x-ray source overshadow the elastic scattering signal from the target capsule but can be controlled in future experiments. From the inelastic scattering signal, an average plasma temperature is inferred that is in reasonable agreement with the temperatures predicted by simulations. Knowledge gained in this experiment shows a promising future for further XRTS measurements on indirectly driven OMEGA targets.

  3. Investigating the Defect Structures in Transparent Conducting Oxides Using X-ray and Neutron Scattering Techniques

    Directory of Open Access Journals (Sweden)

    Gabriela B. González

    2012-05-01

    Full Text Available Transparent conducting oxide (TCO materials are implemented into a wide variety of commercial devices because they possess a unique combination of high optical transparency and high electrical conductivity. Created during the processing of the TCOs, defects within the atomic-scale structure are responsible for their desirable optical and electrical properties. Therefore, studying the defect structure is essential to a better understanding of the behavior of transparent conductors. X-ray and neutron scattering techniques are powerful tools to investigate the atomic lattice structural defects in these materials. This review paper presents some of the current developments in the study of structural defects in n-type TCOs using x-ray diffraction (XRD, neutron diffraction, extended x-ray absorption fine structure (EXAFS, pair distribution functions (PDFs, and x-ray fluorescence (XRF.

  4. Information-theoretic analysis of x-ray scatter and phase architectures for anomaly detection

    Science.gov (United States)

    Coccarelli, David; Gong, Qian; Stoian, Razvan-Ionut; Greenberg, Joel A.; Gehm, Michael E.; Lin, Yuzhang; Huang, Liang-Chih; Ashok, Amit

    2016-05-01

    Conventional performance analysis of detection systems confounds the effects of the system architecture (sources, detectors, system geometry, etc.) with the effects of the detection algorithm. Previously, we introduced an information-theoretic approach to this problem by formulating a performance metric, based on Cauchy-Schwarz mutual information, that is analogous to the channel capacity concept from communications engineering. In this work, we discuss the application of this metric to study novel screening systems based on x-ray scatter or phase. Our results show how effective use of this metric can impact design decisions for x-ray scatter and phase systems.

  5. International workshop on resonant X-ray scattering in electrically-ordered systems

    International Nuclear Information System (INIS)

    The research field of Resonant X-ray Scattering (RXS) has achieved tremendous progress in the last years. Nowadays RXS is rapidly becoming the crucial technique for investigating the subtleties of microscopic magnetism in systems where the ground state properties reflect a delicate balance between several different correlated processes. The aim of this workshop is to discuss present and future possibilities for RXS investigations of electronic order, including studies of charge, magnetic, and multipolar ordered states. The sessions will cover experimental and theoretical aspects of hard and soft X-ray resonant scattering from single crystals and thin films. This document gathers the summaries of the presentations

  6. International workshop on resonant X-ray scattering in electrically-ordered systems

    Energy Technology Data Exchange (ETDEWEB)

    Collins, S.P.; Pettifer, R.F.; Laundy, D.; Ishida, K.; Kokubun, J.; Giles, C.; Yokaichiya, F.; Song, C.; Lee, K.B.; Ji, S.; Koo, J.; Park, Y.J.; Kim, J.Y.; Park, J.H.; Shin, H.J.; Rhyee, J.S.; Oh, B.H.; Cho, B.K.; Wilkins Stuart, B.; Paixao, J.A.; Caciuffo, R.; Javorsky, P.; Wastin, F.; Rebizant, J.; Detlefs, C.; Bernheoft, N.; Lander, G.H.; Bombardi, A.; Bergevin, F. de; Matteo, S. di; Paolasini, L.; Rodriguez-Carvajal, J.; Carretta, P.; Millet, P.; Caciuffo, R.; Goff, J.P.; Deen, P.P.; Lee, S.; Stunault, A.; Brown, S.; Mannix, D.; McIntyre, G.J.; Ward, R.C.C.; Wells, M.R.; Lorenzo, J.E.; Joly, Y.; Nazarenko, E.; Staub, U.; Srajer, G.; Haskel, D.; Choi, Y.; Lee, D.R.; Lang, J.C.; Meersschaut, J.; Jiang, J.S.; Bader, S.D.; Bouchenoire, L.; Brown, S.D.; Beesley, A.; Herring, A.; Thomas, M.; Thompson, P.; Langridge, S.; Stirling, W.G.; Mirone, A.; Lander, G.; Wilkins, S.; Ward, R.C.C.; Wells, M.R.; Zochowski, S.W.; Garcia, J.; Subias, G.; Blasco, J.; Sanchez, M.C.; Proietti, M.G.; Lovesey, S.W.; Dmitrienko, V.E.; Ovchinnikova, E.N.; Ishida, K.; Kokubun, J.; Kirfel, A.; Collins, S.P.; Laundy, D.; Oreshko, A.P.; Strange, P.; Horne, M.; Arola, E.; Winter, H.; Szotek, Z.; Temmerman, W.M.; Igarashi, J.; Usuda, M.; Takahashi, M.; Matteo, S. di; Bernhoeft, N.; Hill, J.P.; Lang, J.C.; McWhan, D.; Lee, D.R.; Haskel, D.; Srajer, G.; Hatton Peter, D.; Katsumata, K.; Braithwaite, D

    2004-07-01

    The research field of Resonant X-ray Scattering (RXS) has achieved tremendous progress in the last years. Nowadays RXS is rapidly becoming the crucial technique for investigating the subtleties of microscopic magnetism in systems where the ground state properties reflect a delicate balance between several different correlated processes. The aim of this workshop is to discuss present and future possibilities for RXS investigations of electronic order, including studies of charge, magnetic, and multipolar ordered states. The sessions will cover experimental and theoretical aspects of hard and soft X-ray resonant scattering from single crystals and thin films. This document gathers the summaries of the presentations.

  7. Compton Scattering X-Ray Sources Driven by Laser Wakefield Acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Hartemann, F V; Gibson, D J; Brown, W J; Rousse, A; Phuoc, K T; Pukhov, A

    2005-10-19

    Recent laser wakefield acceleration experiments have demonstrated the generation of femtosecond, nano-Coulomb, low emittance, nearly monokinetic relativistic electron bunches of sufficient quality to produce bright, tunable, ultrafast x-rays via Compton scattering. Design parameters for a proof-of-concept experiment are presented using a three-dimensional Compton scattering code and a laser-plasma interaction particle-in-cell code modeling the wakefield acceleration process; x-ray fluxes exceeding 10{sup 22} s{sup -1} are predicted, with a peak brightness > 10{sup 20} photons/(mm{sup 2} x mrad{sup 2} x s x 0.1% bandwidth).

  8. Inelastic x-ray scattering at the National Synchrotron Light Source

    International Nuclear Information System (INIS)

    The research program at the inelastic x-ray scattering beamline at the National Synchrotron Light Source is focused on the study of elementary excitations in condensed matter with total energy resolution on the order of 0.1 eV to 1.0 eV. Results from selected experiments are reported to demonstrate the capability of the beamline as well as the information that can be obtained from inelastic x-ray scattering experiments. copyright 1996 American Institute of Physics

  9. Electronic Structure Measurement of Solid Density Plasmas using X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gregori, G; Glenzer, S H; Rogers, F J; Landen, O L; Blancard, C; Faussurier, G; Renaudin, P; Kuhlbrodt, S; Redmer, R

    2003-08-23

    We present an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. We use our theory to interpret x-ray scattering experiments from solid density carbon plasma and to extract accurate measurements of electron temperature, electron density and charge state. We use our experimental results to validate various equation-of-state models for carbon plasmas.

  10. Investigation of the Electronic Structure of Solid Density Plasmas by X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gregori, G; Glenzer, S H; Forest, F J; Kuhlbrodt, S; Redmer, R; Faussurier, G; Blancard, C; Renaudin, P; Landen, O L

    2003-05-19

    We present an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. We use our theory to interpret x-ray scattering experiments from solid density carbon plasma and to extract accurate measurements of electron temperature, electron density and charge state. We use our experimental results to validate various equation-of-state models for carbon plasmas.

  11. Demonstration of imaging X-ray Thomson scattering on OMEGA EP

    Science.gov (United States)

    Belancourt, Patrick X.; Theobald, Wolfgang; Keiter, Paul A.; Collins, Tim J. B.; Bonino, Mark J.; Kozlowski, Pawel M.; Regan, Sean P.; Drake, R. Paul

    2016-11-01

    Foams are a common material for high-energy-density physics experiments because of low, tunable densities, and being machinable. Simulating these experiments can be difficult because the equation of state is largely unknown for shocked foams. The focus of this experiment was to develop an x-ray scattering platform for measuring the equation of state of shocked foams on OMEGA EP. The foam used in this experiment is resorcinol formaldehyde with an initial density of 0.34 g/cm3. One long-pulse (10 ns) beam drives a shock into the foam, while the remaining three UV beams with a 2 ns square pulse irradiate a nickel foil to create the x-ray backlighter. The primary diagnostic for this platform, the imaging x-ray Thomson spectrometer, spectrally resolves the scattered x-ray beam while imaging in one spatial dimension. Ray tracing analysis of the density profile gives a compression of 3 ± 1 with a shock speed of 39 ± 6 km/s. Analysis of the scattered x-ray spectra gives an upper bound temperature of 20 eV.

  12. Atomic Rayleigh scattering cross-sections and the associated anomalous dispersion in the X-ray regions

    International Nuclear Information System (INIS)

    Elastic scattering cross-sections for Pd, Ag, Cd, In, Sn, Sb, Pt, Au and Pb are measured at an angle of 90 circle in the X-ray region 5.41≤E≤8.04 keV. These energies fall between the high-energy side of the L- and M-shell absorption edges of the atoms considered. The present atomic region is significant for solid X-rays to assess the contribution of resonance and solid-state environmental effects. Also it is the anomalous scattering region for many of the atoms of the periodic table. Experimental results are compared with theoretical calculations based on form factor formalisms including the anomalous corrections and available recent S-matrix values. Based on the experimental evidence, the present results indicate the influence of solid-state environmental effects, the importance of anomalous corrections nearer to absorption edges, the correctness of revised high-energy limit values, the superiority of S-matrix predictions over form factor values on measured elastic scattering cross-sections in the X-ray regime and also show the resonance behavior around K,L and M absorption edges. (orig.)

  13. Analysis of Order Formation in Block Copolymer Thin Films UsingResonant Soft X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Virgili, Justin M.; Tao, Yuefei; Kortright, Jeffrey B.; Balsara,Nitash P.; Segalman, Rachel A.

    2006-11-27

    The lateral order of poly(styrene-block-isoprene) copolymer(PS-b-PI) thin films is characterized by the emerging technique ofresonant soft X-ray scattering (RSOXS) at the carbon K edge and comparedto ordering in bulk samples of the same materials measured usingconventional small-angle X-ray scattering. We show resonance using theoryand experiment that the loss of scattering intensity expected with adecrease in sample volume in the case of thin films can be overcome bytuning X-rays to the pi* resonance of PS or PI. Using RSOXS, we study themicrophase ordering of cylinder- and phere-forming PS-b-PI thin films andcompare these results to position space data obtained by atomic forcemicroscopy. Our ability to examine large sample areas (~;9000 mu m2) byRSOXS enables unambiguous identification of the lateral lattice structurein the thin films. In the case of the sphere-forming copolymer thin film,where the spheres are hexagonally arranged, the average sphere-to-spherespacing is between the bulk (body-centered cubic) nearest neighbor andbulk unit cell spacings. In the case of the cylinder-forming copolymerthin film, the cylinder-to-cylinder spacing is within experimental errorof that obtained in the bulk.

  14. Spectral Softening in X-ray Afterglow of GRB 130925A as Predicted by Dust Scattering Model

    CERN Document Server

    Zhao, Yi-Nan

    2014-01-01

    Gamma-ray bursts (GRBs) usually occurs in a dense star-forming region with massive circum-burst medium. The small-angle scattering of intense prompt X-ray emission off the surrounding dust grains will have observable consequences, and sometimes can dominate the X-ray afterglow. In most of the previous studies, only Rayleigh-Gans (RG) approximation is employed for describing the scattering process, which works accurately for the typical size of grains (with radius $a\\leq 0.1\\,{\\rm \\mu m}$) in the diffuse interstellar medium. When the size of the grains may significantly increase as in a more dense region where GRBs would occur, the RG approximation may not be valid enough for modeling detailed observational data. In order to study the temporal and spectral properties of the scattered X-ray emission more accurately with potentially larger dust grains, we provide a practical approach using the series expansions of anomalous diffraction (AD) approximation based on the complicated Mie theory. We apply our calculat...

  15. X-ray Polarization Signatures of Compton Scattering in Magnetic Cataclysmic Variables

    CERN Document Server

    McNamara, Aimee; Wu, Kinwah

    2008-01-01

    Compton scattering within the accretion column of magnetic cataclysmic variables (mCVs) can induce a net polarization in the X-ray emission. We investigate this process using Monte Carlo simulations and find that significant polarization can arise as a result of the stratified flow structure in the shock-ionized column. We find that the degree of linear polarization can reach levels up to ~8% for systems with high accretion rates and low white-dwarf masses, when viewed at large inclination angles with respect to the accretion column axis. These levels are substantially higher than previously predicted estimates using an accretion column model with uniform density and temperature. We also find that for systems with a relatively low-mass white dwarf accreting at a high accretion rate, the polarization properties may be insensitive to the magnetic field, since most of the scattering occurs at the base of the accretion column where the density structure is determined mainly by bremsstrahlung cooling instead of cy...

  16. Anomalous elastic scattering of x-ray photons by a neon-like ion

    Energy Technology Data Exchange (ETDEWEB)

    Hopersky, A N; Nadolinsky, A M; Dzuba, D V; Yavna, V A [Rostov State University of Transport Communication, Rostov-on-Don, 344038 (Russian Federation)

    2005-05-28

    In the non-relativistic approximation for the wavefunctions of the one-electron states and in the dipole approximation for the scattering amplitude, the effect of radial monopole rearrangement of electron shells within the field of a vacancy and of the processes of one-photon double excitation/ionization on the absolute values and the shapes of the differential cross sections of anomalous non-zero-angle elastic scattering of linearly polarized x-ray photons by the Ne atom and by the neon-like Si{sup 4+} and Ar{sup 8+} ions in the vicinity of K- and KL{sub 23}-ionization thresholds is studied. The results of calculations for the Ne atom were found to be in agreement with the high-precision synchrotron radiation experiments by Coreno et al (1999 Phys. Rev. A 59 2494; K-ionization threshold) and by Avaldi et al (1996 J. Phys. B: At. Mol. Opt. Phys. 29 L737; KL{sub 23}-ionization threshold). The results of calculations for the Si{sup 4+} and Ar{sup 8+} ions are predictions.

  17. Anomalous elastic scattering of x-ray photons by a neon-like ion

    International Nuclear Information System (INIS)

    In the non-relativistic approximation for the wavefunctions of the one-electron states and in the dipole approximation for the scattering amplitude, the effect of radial monopole rearrangement of electron shells within the field of a vacancy and of the processes of one-photon double excitation/ionization on the absolute values and the shapes of the differential cross sections of anomalous non-zero-angle elastic scattering of linearly polarized x-ray photons by the Ne atom and by the neon-like Si4+ and Ar8+ ions in the vicinity of K- and KL23-ionization thresholds is studied. The results of calculations for the Ne atom were found to be in agreement with the high-precision synchrotron radiation experiments by Coreno et al (1999 Phys. Rev. A 59 2494; K-ionization threshold) and by Avaldi et al (1996 J. Phys. B: At. Mol. Opt. Phys. 29 L737; KL23-ionization threshold). The results of calculations for the Si4+ and Ar8+ ions are predictions

  18. Chemistry of Metal-organic Frameworks Monitored by Advanced X-ray Diffraction and Scattering Techniques.

    Science.gov (United States)

    Mazaj, Matjaž; Kaučič, Venčeslav; Zabukovec Logar, Nataša

    2016-01-01

    The research on metal-organic frameworks (MOFs) experienced rapid progress in recent years due to their structure diversity and wide range of application opportunities. Continuous progress of X-ray and neutron diffraction methods enables more and more detailed insight into MOF's structural features and significantly contributes to the understanding of their chemistry. Improved instrumentation and data processing in high-resolution X-ray diffraction methods enables the determination of new complex MOF crystal structures in powdered form. By the use of neutron diffraction techniques, a lot of knowledge about the interaction of guest molecules with crystalline framework has been gained in the past few years. Moreover, in-situ time-resolved studies by various diffraction and scattering techniques provided comprehensive information about crystallization kinetics, crystal growth mechanism and structural dynamics triggered by external physical or chemical stimuli. The review emphasizes most relevant advanced structural studies of MOFs based on powder X-ray and neutron scattering. PMID:27640372

  19. Chemistry of Metal-organic Frameworks Monitored by Advanced X-ray Diffraction and Scattering Techniques.

    Science.gov (United States)

    Mazaj, Matjaž; Kaučič, Venčeslav; Zabukovec Logar, Nataša

    2016-01-01

    The research on metal-organic frameworks (MOFs) experienced rapid progress in recent years due to their structure diversity and wide range of application opportunities. Continuous progress of X-ray and neutron diffraction methods enables more and more detailed insight into MOF's structural features and significantly contributes to the understanding of their chemistry. Improved instrumentation and data processing in high-resolution X-ray diffraction methods enables the determination of new complex MOF crystal structures in powdered form. By the use of neutron diffraction techniques, a lot of knowledge about the interaction of guest molecules with crystalline framework has been gained in the past few years. Moreover, in-situ time-resolved studies by various diffraction and scattering techniques provided comprehensive information about crystallization kinetics, crystal growth mechanism and structural dynamics triggered by external physical or chemical stimuli. The review emphasizes most relevant advanced structural studies of MOFs based on powder X-ray and neutron scattering.

  20. COMMISSIONING OF A HIGH-BRIGHTNESS PHOTOINJECTOR FOR COMPTON SCATTERING X-RAY SOURCES

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, S G; Gibson, D J; Hartemann, F V; Messerly, M; Shverdin, M; Siders, C W; Tremaine, A M; Barty, C J; Badakov, H; Frigola, P; Fukasawa, A; OShea, B; Rosenzweig, J B

    2007-06-21

    Compton scattering of intense laser pulses with ultrarelativistic electron beams has proven to be an attractive source of high-brightness x-rays with keV to MeV energies. This type of x-ray source requires the electron beam brightness to be comparable with that used in x-ray free-electron lasers and laser and plasma based advanced accelerators. We describe the development and commissioning of a 1.6 cell RF photoinjector for use in Compton scattering experiments at LLNL. Injector development issues such as RF cavity design, beam dynamics simulations, emittance diagnostic development, results of sputtered magnesium photo-cathode experiments, and UV laser pulse shaping are discussed. Initial operation of the photoinjector is described.

  1. The architecture of amyloid-like peptide fibrils revealed by X-ray scattering, diffraction and electron microscopy

    DEFF Research Database (Denmark)

    Langkilde, Annette Eva; Morris, Kyle L; Serpell, Louise C;

    2015-01-01

    Structural analysis of protein fibrillation is inherently challenging. Given the crucial role of fibrils in amyloid diseases, method advancement is urgently needed. A hybrid modelling approach is presented enabling detailed analysis of a highly ordered and hierarchically organized fibril...... of the GNNQQNY peptide fragment of a yeast prion protein. Data from small-angle X-ray solution scattering, fibre diffraction and electron microscopy are combined with existing high-resolution X-ray crystallographic structures to investigate the fibrillation process and the hierarchical fibril structure...... hierarchical layer is generated via the pairing of ribbons during fibril maturation. Based on the complementary data, a quasi-atomic resolution model of the protofilament peptide arrangement is suggested. The peptide structure appears in a β-sheet arrangement reminiscent of the β-zipper structures evident from...

  2. Measurement of the interior structure of thin polymer films using grazing incidence diffuse x-ray scattering.

    Science.gov (United States)

    Mukhopadhyay, M K; Lurio, L B; Jiang, Z; Jiao, X; Sprung, Michael; DeCaro, Curt; Sinha, S K

    2010-07-01

    A method is developed for calculating the small-angle x-ray scattering originating from within the interior of a thin film under grazing incidence illumination. This offers the possibility of using x-ray scattering to probe how the structure of polymers is modified by confinement. When the diffuse scattering from a thin film is measured over a range of incident angles, it is possible to separate the contributions to scattering from the interfaces and the contribution from the film interior. Using the distorted-wave Born approximation the structure factor, S(q), of the film interior can then be obtained. We apply this method to analyze density fluctuations from within the interior of a silicon supported molten polystyrene (PS) film. Measurements were made as a function of film thickness ranging from one to ten times the polymer radius of gyration (Rg). The compressibility, calculated by extrapolating the measured S(q) to q=0, agrees well with that of bulk PS for thick films, but thinner films exhibit a peak in S(q) near q=0. This peak, which grows with decreasing thickness, is attributed to a decreased interpenetration of chains and a consequent enhanced compressibility. PMID:20866641

  3. Reconstruction of the X-ray tube spectrum from a scattering measurement

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez, Jorge E., E-mail: jorge.fernandez@unibo.it [Laboratory of Montecuccolino, Department of Energy, Nuclear and Environmental Control Engineering (DIENCA), Alma Mater Studiorum University of Bologna, via dei Colli,16, I-40136, Bologna (Italy); Scot, Viviana [Laboratory of Montecuccolino, Department of Energy, Nuclear and Environmental Control Engineering (DIENCA), Alma Mater Studiorum University of Bologna, via dei Colli,16, I-40136, Bologna (Italy); Bare, Jonathan [Laboratory of Montecuccolino, Department of Energy, Nuclear and Environmental Control Engineering (DIENCA), Alma Mater Studiorum University of Bologna, via dei Colli,16, I-40136, Bologna (Italy); Laboratory of Nuclear and Radiological Physics, Institut Superieur Industriel de Bruxelles (ISIB) (Belgium); Tondeur, Francois [Laboratory of Nuclear and Radiological Physics, Institut Superieur Industriel de Bruxelles (ISIB) (Belgium); Gallardo, Sergio; Rodenas, Jose [Department of Chemical and Nuclear Engineering, Polytechnic University of Valencia (Spain); Rossi, Pier Luca [Operational Unit of Health Physics, Alma Mater Studiorum University of Bologna (Italy)

    2012-07-15

    An inverse technique has been designed to unfold the x-ray tube spectrum from the measurement of the photons scattered by a target interposed in the path of the beam. A special strategy is necessary to circumvent the ill-conditioning of the forward transport algebraic problem. The proposed method is based on the calculation of both, the forward and adjoint analytical solutions of the Boltzmann transport equation. After testing the method with numerical simulations, a simple prototype built at the Operational Unit of Health Physics of the University of Bologna was used to test the method experimentally. The reconstructed spectrum was validated by comparison with a straightforward measurement of the X-ray beam. The influence of the detector was corrected in both cases using standard unfolding techniques. The method is capable to accurately characterize the intensity distribution of an X-ray tube spectrum, even at low energies where other methods fail. - Highlights: Black-Right-Pointing-Pointer A complete inverse technique of source unfolding is presented. Black-Right-Pointing-Pointer The X-ray tube spectrum is recovered from a scattering measurement. Black-Right-Pointing-Pointer The ill conditioning of the plain forward transport algebraic problem is avoided. Black-Right-Pointing-Pointer Forward and adjoint solutions of the Boltzmann transport equation are used. Black-Right-Pointing-Pointer The technique characterizes X-ray tube spectra even at low energies.

  4. Oil classification using X-ray scattering and principal component analysis

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Danielle S.; Souza, Amanda S.; Lopes, Ricardo T., E-mail: dani.almeida84@gmail.com, E-mail: ricardo@lin.ufrj.br, E-mail: amandass@bioqmed.ufrj.br [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil); Oliveira, Davi F.; Anjos, Marcelino J., E-mail: davi.oliveira@uerj.br, E-mail: marcelin@uerj.br [Universidade do Estado do Rio de Janeiro (UERJ), Rio de Janeiro, RJ (Brazil). Inst. de Fisica Armando Dias Tavares

    2015-07-01

    X-ray scattering techniques have been considered promising for the classification and characterization of many types of samples. This study employed this technique combined with chemical analysis and multivariate analysis to characterize 54 vegetable oil samples (being 25 olive oils)with different properties obtained in commercial establishments in Rio de Janeiro city. The samples were chemically analyzed using the following indexes: iodine, acidity, saponification and peroxide. In order to obtain the X-ray scattering spectrum, an X-ray tube with a silver anode operating at 40kV and 50 μA was used. The results showed that oils cab ne divided in tow large groups: olive oils and non-olive oils. Additionally, in a multivariate analysis (Principal Component Analysis - PCA), two components were obtained and accounted for more than 80% of the variance. One component was associated with chemical parameters and the other with scattering profiles of each sample. Results showed that use of X-ray scattering spectra combined with chemical analysis and PCA can be a fast, cheap and efficient method for vegetable oil characterization. (author)

  5. Diffuse X-ray scattering and far infrared absorption of barium and lead β" aluminas

    DEFF Research Database (Denmark)

    Hayes, W.; Kjær, Kristian; Pratt, F. L.;

    1985-01-01

    The authors have carried out high-momentum-resolution studies in diffuse X-ray scattering of barium and lead B" aluminas in the temperature range 20-700 degrees C. They have also measured the vibrational spectra of these compounds between 2K and 300K in the energy range 10-100 cm-1. The results...

  6. X-ray Thomson scattering measurements of temperature and density from multi-shocked CH capsules

    Energy Technology Data Exchange (ETDEWEB)

    Fletcher, L. B. [Department of Physics, University of California, Berkeley, California 94720 (United States); Kritcher, A.; Pak, A.; Ma, T.; Döppner, T.; Divol, L.; Landen, O. L.; Glenzer, S. H. [Lawrence Livermore National Laboratory, 7000 East Av., Livermore, California 94550 (United States); Fortmann, C. [Lawrence Livermore National Laboratory, 7000 East Av., Livermore, California 94550 (United States); University of California, Los Angeles, California 90095 (United States); Vorberger, J.; Gericke, D. O. [Department of Physics, Centre for Fusion, Space, and Astrophysics, University of Warwick, Coventry CV4 7AL (United Kingdom); Chapman, D. A. [Department of Physics, Centre for Fusion, Space, and Astrophysics, University of Warwick, Coventry CV4 7AL (United Kingdom); Plasma Physics Department, AWE plc, Aldermaston (United Kingdom); Falcone, R. W. [Department of Physics, University of California, Berkeley, California 94720 (United States); Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2013-05-15

    Proof-of-principle measurements of the electron densities, temperatures, and ionization states of spherically compressed multi-shocked CH (polystyrene) capsules have been achieved using spectrally resolved x-ray Thomson scattering. A total energy of 13.5 kJ incident on target is used to compress a 70 μm thick CH shell above solid-mass density using three coalescing shocks. Separately, a laser-produced zinc He-α x-ray source at 9 keV delayed 200 ps-800 ps after maximum compression is used to probe the plasma in the non-collective scattering regime. The data show that x-ray Thomson scattering enables a complete description of the time-dependent hydrodynamic evolution of shock-compressed CH capsules, with a maximum measured density of ρ > 6 g cm{sup −3}. In addition, the results demonstrate that accurate measurements of x-ray scattering from bound-free transitions in the CH plasma demonstrate strong evidence that continuum lowering is the primary ionization mechanism of carbon L-shell electrons.

  7. On the calculation of x-ray scattering signals from pairwise radial distribution functions

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Biasin, Elisa; Haldrup, Kristoffer;

    2015-01-01

    We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any possi...

  8. Count rates and structure factors in anomalous soft x-ray scattering from cuprate superconductors

    NARCIS (Netherlands)

    Abbamonte, P; Rusydi, A; Logvenov, G; Bozovic, [No Value; Sawatzky, GA; Venema, L.C.; Bozovic,; Pavuna, D

    2002-01-01

    It has recently been shown that x-ray diffraction from the doped holes in cuprates can be enhanced by 3-4 orders of magnitude by exploiting resonance effects in the oxygen K shell. This new type of anomalous scattering is direct way of probing ground state inhomogeneity in the mobile carrier liquid

  9. Thermal Diffuse X-Ray-Scattering Studies of the Water-Vapor Interface

    OpenAIRE

    Schwartz, D. K.; Schlossman, M. L.; Kawamoto, E. H.; Kellogg, G. J.; Pershan, Peter S.; Ocko, B.M.

    1990-01-01

    Agreement between the theoretical and measured resolution dependence of x-ray specular reflection from the H2O-vapor interface shows that the macroscopic capillary model for surface roughness can be extended to length scales as small as 400 Å. Agreement between measured thermal diffuse scattering data and the theoretical form, with no significant adjustable parameters, independently leads to similar conclusions.

  10. RESONANT MAGNETIC-X-RAY SCATTERING FROM MIXED-VALENCE TMSE

    NARCIS (Netherlands)

    MCWHAN, DB; ISAACS, ED; CARRA, P; SHAPIRO, SM; THOLE, BT; HOSHINO, S

    1993-01-01

    The mixed-valent compound TmSe has been studied in its antiferromagnetic state (T x-ray scattering. The (003) magnetic reflection shows two peaks as a function of incident energy corresponding to the L(III) absorption edges of its Tm2+ and Tm2+ configurations. This

  11. X-ray resonant scattering study of the quadrupolar order in UPd3

    DEFF Research Database (Denmark)

    McMorrow, D.F.; McEwen, K.A.; Steigenberger, U.;

    2001-01-01

    Quadrupolar ordering in a 5f electron system has been observed directly for the first time, using x-ray scattering techniques. In UPd(3) at low temperatures satellite peaks appear at (1, 0, l) (orthorhombic notation) with I odd and even. Both sets of peaks show a resonant enhancement of the scatt...

  12. X-ray crystallography

    Science.gov (United States)

    2001-01-01

    X-rays diffracted from a well-ordered protein crystal create sharp patterns of scattered light on film. A computer can use these patterns to generate a model of a protein molecule. To analyze the selected crystal, an X-ray crystallographer shines X-rays through the crystal. Unlike a single dental X-ray, which produces a shadow image of a tooth, these X-rays have to be taken many times from different angles to produce a pattern from the scattered light, a map of the intensity of the X-rays after they diffract through the crystal. The X-rays bounce off the electron clouds that form the outer structure of each atom. A flawed crystal will yield a blurry pattern; a well-ordered protein crystal yields a series of sharp diffraction patterns. From these patterns, researchers build an electron density map. With powerful computers and a lot of calculations, scientists can use the electron density patterns to determine the structure of the protein and make a computer-generated model of the structure. The models let researchers improve their understanding of how the protein functions. They also allow scientists to look for receptor sites and active areas that control a protein's function and role in the progress of diseases. From there, pharmaceutical researchers can design molecules that fit the active site, much like a key and lock, so that the protein is locked without affecting the rest of the body. This is called structure-based drug design.

  13. Elementary scattering theory for X-ray and neutron users

    CERN Document Server

    Sivia, D S

    2011-01-01

    The opportunities for doing scattering experiments at synchrotron and neutron facilities have grown rapidly in recent years and are set to continue to do so into the foreseeable future. This text provides a basic understanding of how these techniques enable the structure and dynamics of materials to be studied at the atomic and molecular level. Although mathematics cannot be avoided in a theoretical discussion, the aim has been to write a book that most scientists will still find approachable. To this end, the first two chapters are devoted to providing a tutorial background in the mathematics and physics that are implicitly assumed in other texts. Thereafter, the philosophy has been one of keeping things as simple as possible.

  14. The structure of the muscle protein complex 4Ca2+. Tronponin C*troponin: A Monte Carlo modeling analysis of small-angle X-ray and neutron scattering data

    International Nuclear Information System (INIS)

    Analysis of scattering data based on a Monte Carlo integration method was used to obtain a low resolution model of the 4Ca2+.troponin c.troponin I complex. This modeling method allows rapid testing of plausible structures where the best fit model can be ascertained by a comparison between model structure scattering profiles and measured scattering data. In the best fit model, troponin I appears as a spiral structure that wraps about 4CA2+.trophonin C which adopts an extended dumbell conformation similar to that observed in the crystal structures of troponin C. The Monte Carlo modeling method can be applied to other biological systems in which detailed structural information is lacking

  15. A United Effort for Crystal Growth, Neutron Scattering, and X-ray Scattering Studies of Novel Correlated Electron Materials

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young S. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2015-02-12

    The research accomplishments during the award involved experimental studies of correlated electron systems and quantum magnetism. The techniques of crystal growth, neutron scattering, x-ray scattering, and thermodynamic & transport measurements were employed, and graduate students and postdoctoral research associates were trained in these techniques.

  16. Theoretical concepts of X-ray nanoscale analysis theory and applications

    CERN Document Server

    Benediktovitch, Andrei; Ulyanenkov, Alexander

    2013-01-01

    This book provides a concise survey of modern theoretical concepts of X-ray materials analysis. The principle features of the book are: basics of X-ray scattering, interaction between X-rays and matter and new theoretical concepts of X-ray scattering. The various X-ray techniques are considered in detail: high-resolution X-ray diffraction, X-ray reflectivity, grazing-incidence small-angle X-ray scattering and X-ray residual stress analysis. All the theoretical methods presented use the unified physical approach. This makes the book especially useful for readers learning and performing data ana

  17. Soft X-Ray Thomson Scattering in Warm Dense Hydrogen at FLASH

    Energy Technology Data Exchange (ETDEWEB)

    Faustlin, R R; Toleikis, S; Bornath, T; Doppner, T; Dusterer, S; Forster, E; Fortmann, C; Glenzer, S H; Gode, S; Gregori, G; Irsig, R; Laarmann, T; Lee, H J; Li, B; Meiwes-Broer, K; Mithen, J; Przystawik, A; Redlin, H; Redmer, R; Reinholz, H; Ropke, G; Tavella, F; Thiele, R; Tiggesbaumker, J; Uschmann, I; Zastrau, U; Tschentscher, T

    2009-07-15

    We present collective Thomson scattering with soft x-ray free electron laser radiation as a method to track the evolution of warm dense matter plasmas with {approx}200 fs time resolution. In a pump-probe scheme an 800 nm laser heats a 20 {micro}m hydrogen droplet to the plasma state. After a variable time delay in the order of ps the plasma is probed by an x-ray ultra violet (XUV) pulse which scatters from the target and is recorded spectrally. Alternatively, in a self-Thomson scattering experiment, a single XUV pulse heats the target while a portion of its photons are being scattered probing the target. From such inelastic x-ray scattering spectra free electron temperature and density can be inferred giving insight on relaxation time scales in plasmas as well as the equation of state. We prove the feasibility of this method in the XUV range utilizing the free electron laser facility in Hamburg, FLASH. We recorded Thomson scattering spectra for hydrogen plasma, both in the self-scattering and in the pump-probe mode using optical laser heating.

  18. Compton scattering imaging of a working battery using synchrotron high-energy X-rays

    International Nuclear Information System (INIS)

    Synchrotron-based Compton scattering imaging has visualized the interior of a battery under in situ and operando conditions. Results of studies on Compton scattering imaging using synchrotron high-energy X-rays are reported. The technique is applied to a discharging coin cell, and the intensity of Compton scattered X-rays from the inside of the cell has been measured as a function of position and time. The position–time intensity map captures the migration of lithium ions in the positive electrode and reveals the structural change due to the volume expansion of the electrode. This experiment is a critical step in developing synchrotron-based Compton scattering imaging for electrochemical cells at a product level

  19. Propagation and scattering of high-intensity X-ray pulses in dense atomic gases and plasmas

    International Nuclear Information System (INIS)

    Nonlinear spectroscopy in the X-ray domain is a promising technique to explore the dynamics of elementary excitations in matter. X-rays provide an element specificity that allows them to target individual chemical elements, making them a great tool to study complex molecules. The recent advancement of X-ray free electron lasers (XFELs) allows to investigate non-linear processes in the X-ray domain for the first time. XFELs provide short femtosecond X-ray pulses with peak powers that exceed previous generation synchrotron X-ray sources by more than nine orders of magnitude. This thesis focuses on the theoretical description of stimulated emission processes in the X-ray regime in atomic gases. These processes form the basis for more complex schemes in molecules and provide a proof of principle for nonlinear X-ray spectroscopy. The thesis also includes results from two experimental campaigns at the Linac Coherent Light Source and presents the first experimental demonstration of stimulated X-ray Raman scattering. Focusing an X-ray free electron laser beam into an elongated neon gas target generates an intense stimulated X-ray emission beam in forward direction. If the incoming X-rays have a photon energy above the neon K edge, they can efficiently photo-ionize 1s electrons and generate short-lived core excited states. The core-excited states decay mostly via Auger decay but have a small probability to emit a spontaneous X-ray photon. The spontaneous emission emitted in forward direction can stimulate X-ray emission along the medium and generate a highly directional and intense X-ray laser pulse. If the photon energy of the incoming X-rays however is below the ionization edge in the region of the pre-edge resonance the incoming X-rays can be inelastically scattered. This spontaneous X-ray Raman scattering process has a very low probability, but the spontaneously scattered photons in the beginning of the medium can stimulate Raman scattering along the medium. The

  20. Propagation and scattering of high-intensity X-ray pulses in dense atomic gases and plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Weninger, Clemens

    2015-10-15

    Nonlinear spectroscopy in the X-ray domain is a promising technique to explore the dynamics of elementary excitations in matter. X-rays provide an element specificity that allows them to target individual chemical elements, making them a great tool to study complex molecules. The recent advancement of X-ray free electron lasers (XFELs) allows to investigate non-linear processes in the X-ray domain for the first time. XFELs provide short femtosecond X-ray pulses with peak powers that exceed previous generation synchrotron X-ray sources by more than nine orders of magnitude. This thesis focuses on the theoretical description of stimulated emission processes in the X-ray regime in atomic gases. These processes form the basis for more complex schemes in molecules and provide a proof of principle for nonlinear X-ray spectroscopy. The thesis also includes results from two experimental campaigns at the Linac Coherent Light Source and presents the first experimental demonstration of stimulated X-ray Raman scattering. Focusing an X-ray free electron laser beam into an elongated neon gas target generates an intense stimulated X-ray emission beam in forward direction. If the incoming X-rays have a photon energy above the neon K edge, they can efficiently photo-ionize 1s electrons and generate short-lived core excited states. The core-excited states decay mostly via Auger decay but have a small probability to emit a spontaneous X-ray photon. The spontaneous emission emitted in forward direction can stimulate X-ray emission along the medium and generate a highly directional and intense X-ray laser pulse. If the photon energy of the incoming X-rays however is below the ionization edge in the region of the pre-edge resonance the incoming X-rays can be inelastically scattered. This spontaneous X-ray Raman scattering process has a very low probability, but the spontaneously scattered photons in the beginning of the medium can stimulate Raman scattering along the medium. The