Suzaku observations of the outskirts of the galaxy cluster Abell 3395, including a filament toward Abell 3391

NASA Astrophysics Data System (ADS)

Sugawara, Yuuki; Takizawa, Motokazu; Itahana, Madoka; Akamatsu, Hiroki; Fujita, Yutaka; Ohashi, Takaya; Ishisaki, Yoshitaka

2017-12-01

The results of Suzaku observations of the outskirts of Abell 3395, including a large-scale structure filament toward Abell 3391, are presented. We measured temperature and abundance distributions from the southern outskirt of A 3395 to the north at the virial radius, where a filament structure has been found in the former X-ray and Sunyaev-Zel'dovich (SZ) effect observations between A 3391 and A 3395. The overall temperature structure is consistent with the universal profile proposed by Okabe, N., et al. 2014, PASJ, 66, 99 for relaxed clusters, except for the filament region. A hint of intracluster medium heating is found between the two clusters, which might be due to their interaction in the early phase of a cluster merger. Although we obtained a relatively low metal abundance of Z=0.169^{+0.164+0.009+0.018}_{-0.150-0.004-0.015} solar, where the first, second, and third errors are statistical, cosmic X-ray background systematic, and non-X-ray background systematic, respectively, at the virial radius in the filament, our results are still consistent with previous results for other clusters (Z ˜ 0.3 solar) within errors. Therefore, our results are also consistent with the early enrichment scenario. We estimated Compton y parameters only from X-ray results in the region between A 3391 and A 3395 assuming a simple geometry. They are smaller than the previous SZ results with the Planck satellite. The difference could be attributed to a more elaborate geometry such as a filament inclined to the line-of-sight direction, or underestimation of the X-ray temperature because of the unresolved multi-temperature structures or undetected hot X-ray emission of the shock-heated gas.

Liquid sample delivery techniques for serial femtosecond crystallography

PubMed Central

Weierstall, Uwe

2014-01-01

X-ray free-electron lasers overcome the problem of radiation damage in protein crystallography and allow structure determination from micro- and nanocrystals at room temperature. To ensure that consecutive X-ray pulses do not probe previously exposed crystals, the sample needs to be replaced with the X-ray repetition rate, which ranges from 120 Hz at warm linac-based free-electron lasers to 1 MHz at superconducting linacs. Liquid injectors are therefore an essential part of a serial femtosecond crystallography experiment at an X-ray free-electron laser. Here, we compare different techniques of injecting microcrystals in solution into the pulsed X-ray beam in vacuum. Sample waste due to mismatch of the liquid flow rate to the X-ray repetition rate can be addressed through various techniques. PMID:24914163

Multiple energetic injections in a strong spike-like solar burst

NASA Technical Reports Server (NTRS)

Kaufmann, P.; Correia, E.; Costa, J. E. R.; Dennis, B. R.; Hurford, G. J.; Brown, J. C.

1984-01-01

An intense and fast spike-like solar burst was built up of short time scale structures superimposed on an underlying gradual emission, the time evolution of which shows remarkable proportionality between hard X-ray and microwave fluxes. The finer time structures were best defined at mm-microwaves. At the peak of the event, the finer structures repeat every 30 x 60 ms. The more slowly varying component with a time scale of about 1 second was identified in microwave hard X-rays throughout the burst duration. It is suggested that X-ray fluxes might also be proportional to the repetition rate of basic units of energy injection (quasi-quantized). The relevant parameters of one primary energy release site are estimated both in the case where hard X-rays are produced primarily by thick-target bremsstrahlung, and when they are purely thermal. The relation of this figure to global energy considerations is discussed. Previously announced in STAR as N83-35983

Structural comparison of nickel electrodes and precursor phases

NASA Technical Reports Server (NTRS)

Cornilsen, Bahne C.; Shan, Xiaoyin; Loyselle, Patricia

1989-01-01

Researchers summarize previous Raman spectroscopic results and discuss important structural differences in the various phases of active mass and active mass precursors. Raman spectra provide unique signatures for these phases, and allow one to distinguish each phase, even when the compound is amorphous to x rays (i.e., does not scatter x rays because of a lack of order and/or small particle size). The structural changes incurred during formation, charge and discharge, cobalt addition, and aging are discussed. The oxidation states and dopant contents are explained in terms of the nonstoichiometric structures.

Directional x-ray dark-field imaging of strongly ordered systems

NASA Astrophysics Data System (ADS)

Jensen, Torben Haugaard; Bech, Martin; Zanette, Irene; Weitkamp, Timm; David, Christian; Deyhle, Hans; Rutishauser, Simon; Reznikova, Elena; Mohr, Jürgen; Feidenhans'L, Robert; Pfeiffer, Franz

2010-12-01

Recently a novel grating based x-ray imaging approach called directional x-ray dark-field imaging was introduced. Directional x-ray dark-field imaging yields information about the local texture of structures smaller than the pixel size of the imaging system. In this work we extend the theoretical description and data processing schemes for directional dark-field imaging to strongly scattering systems, which could not be described previously. We develop a simple scattering model to account for these recent observations and subsequently demonstrate the model using experimental data. The experimental data includes directional dark-field images of polypropylene fibers and a human tooth slice.

Dynamical and Radiative Properties of X-Ray Pulsar Accretion Columns: Phase-averaged Spectra

NASA Astrophysics Data System (ADS)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A.

2017-02-01

The availability of the unprecedented spectral resolution provided by modern X-ray observatories is opening up new areas for study involving the coupled formation of the continuum emission and the cyclotron absorption features in accretion-powered X-ray pulsar spectra. Previous research focusing on the dynamics and the associated formation of the observed spectra has largely been confined to the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface, while the dynamical effect of gas pressure is ignored. In a companion paper, we have presented a detailed analysis of the hydrodynamic and thermodynamic structure of the accretion column obtained using a new self-consistent model that includes the effects of both gas and radiation pressures. In this paper, we explore the formation of the associated X-ray spectra using a rigorous photon transport equation that is consistent with the hydrodynamic and thermodynamic structure of the column. We use the new model to obtain phase-averaged spectra and partially occulted spectra for Her X-1, Cen X-3, and LMC X-4. We also use the new model to constrain the emission geometry, and compare the resulting parameters with those obtained using previously published models. Our model sheds new light on the structure of the column, the relationship between the ionized gas and the photons, the competition between diffusive and advective transport, and the magnitude of the energy-averaged cyclotron scattering cross-section.

Dynamical and Radiative Properties of X-Ray Pulsar Accretion Columns: Phase-averaged Spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A., E-mail: bwest@usna.edu, E-mail: kswolfram@gmail.com, E-mail: pbecker@gmu.edu

The availability of the unprecedented spectral resolution provided by modern X-ray observatories is opening up new areas for study involving the coupled formation of the continuum emission and the cyclotron absorption features in accretion-powered X-ray pulsar spectra. Previous research focusing on the dynamics and the associated formation of the observed spectra has largely been confined to the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface, while the dynamical effect of gas pressure is ignored. In a companion paper, we have presented a detailed analysis of the hydrodynamic and thermodynamicmore » structure of the accretion column obtained using a new self-consistent model that includes the effects of both gas and radiation pressures. In this paper, we explore the formation of the associated X-ray spectra using a rigorous photon transport equation that is consistent with the hydrodynamic and thermodynamic structure of the column. We use the new model to obtain phase-averaged spectra and partially occulted spectra for Her X-1, Cen X-3, and LMC X-4. We also use the new model to constrain the emission geometry, and compare the resulting parameters with those obtained using previously published models. Our model sheds new light on the structure of the column, the relationship between the ionized gas and the photons, the competition between diffusive and advective transport, and the magnitude of the energy-averaged cyclotron scattering cross-section.« less

In situ X-ray probing reveals fingerprints of surface platinum oxide.

PubMed

Friebel, Daniel; Miller, Daniel J; O'Grady, Christopher P; Anniyev, Toyli; Bargar, John; Bergmann, Uwe; Ogasawara, Hirohito; Wikfeldt, Kjartan Thor; Pettersson, Lars G M; Nilsson, Anders

2011-01-07

In situ X-ray absorption spectroscopy (XAS) at the Pt L(3) edge is a useful probe for Pt-O interactions at polymer electrolyte membrane fuel cell (PEMFC) cathodes. We show that XAS using the high energy resolution fluorescence detection (HERFD) mode, applied to a well-defined monolayer Pt/Rh(111) sample where the bulk penetrating hard X-rays probe only surface Pt atoms, provides a unique sensitivity to structure and chemical bonding at the Pt-electrolyte interface. Ab initio multiple-scattering calculations using the FEFF code and complementary extended X-ray absorption fine structure (EXAFS) results indicate that the commonly observed large increase of the white-line at high electrochemical potentials on PEMFC cathodes originates from platinum oxide formation, whereas previously proposed chemisorbed oxygen-containing species merely give rise to subtle spectral changes.

Deformable complex network for refining low-resolution X-ray structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chong; Wang, Qinghua; Ma, Jianpeng, E-mail: jpma@bcm.edu

2015-10-27

A new refinement algorithm called the deformable complex network that combines a novel angular network-based restraint with a deformable elastic network model in the target function has been developed to aid in structural refinement in macromolecular X-ray crystallography. In macromolecular X-ray crystallography, building more accurate atomic models based on lower resolution experimental diffraction data remains a great challenge. Previous studies have used a deformable elastic network (DEN) model to aid in low-resolution structural refinement. In this study, the development of a new refinement algorithm called the deformable complex network (DCN) is reported that combines a novel angular network-based restraint withmore » the DEN model in the target function. Testing of DCN on a wide range of low-resolution structures demonstrated that it constantly leads to significantly improved structural models as judged by multiple refinement criteria, thus representing a new effective refinement tool for low-resolution structural determination.« less

The X-ray spectrum and time variability of narrow emission line galaxies

NASA Technical Reports Server (NTRS)

Mushotzky, R.

1981-01-01

X-ray spectral and temporal observations are reported for six narrow emission line galaxies (NELGs), all of which are fitted by power-law X-ray spectra of energy slope 0.8 and have column densities in the line of sight greater than 1 x 10 to the 22nd atoms/sq cm. Three of the objects, NGC 526a, NGC 2110 and MCG-5-23-16 are variable in their X-ray flux, and the latter two, along with NGC 5506 and NGC 7582, showed detectable variability in at least one observation. The measured X-ray properties of these NELGs, which also included NGC 2992, strongly resemble those of previously-measured type 1 Seyferts of the same X-ray luminosity and lead to the conclusion of great similarity between the NELGs and low-luminosity type 1 Seyferts. The implications of these observations for the optical line-emitting region structure of these galaxies are discussed.

History of Chandra X-Ray Observatory

NASA Image and Video Library

2000-10-01

This most distant x-ray cluster of galaxies yet has been found by astronomers using Chandra X-ray Observatory (CXO). Approximately 10 billion light-years from Earth, the cluster 3C294 is 40 percent farther than the next most distant x-ray galaxy cluster. The existence of such a faraway cluster is important for understanding how the universe evolved. CXO's image reveals an hourglass-shaped region of x-ray emissions centered on the previously known central radio source (seen in this image as the blue central object) that extends outward for 60,000 light- years. The vast clouds of hot gas that surround such galaxies in clusters are thought to be heated by collapse toward the center of the cluster. Until CXO, x-ray telescopes have not had the needed sensitivity to identify such distant clusters of galaxies. Galaxy clusters are the largest gravitationally bound structures in the universe. The intensity of the x-rays in this CXO image of 3C294 is shown as red for low energy x-rays, green for intermediate, and blue for the most energetic x-rays. (Photo credit: NASA/loA/A. Fabian et al)

The X-Ray Surveyor Mission Concept Study: Forging the Path to NASA Astrophysics 2020 Decadal Survey Prioritization

NASA Technical Reports Server (NTRS)

Gaskin, Jessica; Ozel, Feryal; Vikhlinin, Alexey

2016-01-01

The X-Ray Surveyor mission concept is unique among those being studied for prioritization in the NASA Astrophysics 2020 Decadal Survey. The X-Ray Surveyor mission will explore the high-energy Universe; providing essential and complimentary observations to the Astronomy Community. The NASA Astrophysics Roadmap (Enduring Quests, Daring Visions) describes the need for an X-Ray Observatory that is capable of addressing topics such as the origin and growth of the first supermassive black holes, galaxy evolution and growth of the cosmic structure, and the origin and evolution of the stars that make up our Universe. To address these scientifically compelling topics and more, an Observatory that exhibits leaps in capability over that of previous X-Ray Observatories in needed. This paper describes the current status of the X-Ray Surveyor Mission Concept Study and the path forward, which includes scientific investigations, technology development, and community participation.

The X-Ray Surveyor mission concept study: forging the path to NASA astrophysics 2020 decadal survey prioritization

NASA Astrophysics Data System (ADS)

Gaskin, Jessica; Özel, Feryal; Vikhlinin, Alexey

2016-07-01

The X-Ray Surveyor mission concept is unique among those being studied for prioritization in the NASA Astrophysics 2020 Decadal Survey. The X-Ray Surveyor mission will explore the high-energy Universe; providing essential and complimentary observations to the Astronomy Community. The NASA Astrophysics Roadmap (Enduring Quests, Daring Visions) describes the need for an X-Ray Observatory that is capable of addressing topics such as the origin and growth of the first supermassive black holes, galaxy evolution and growth of the cosmic structure, and the origin and evolution of the stars that make up our Universe. To address these scientifically compelling topics and more, an Observatory that exhibits leaps in capability over that of previous X-Ray Observatories in needed. This paper describes the current status of the X-Ray Surveyor Mission Concept Study and the path forward, which includes scientific investigations, technology development, and community participation.

X-ray absorption and reflection as probes of the GaN conduction bands: Theory and experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lambrecht, W.R.L.; Rashkeev, S.N.; Segall, B.

1997-04-01

X-ray absorption measurements are a well-known probe of the unoccupied states in a material. The same information can be obtained by using glancing angle X-ray reflectivity. In spite of several existing band structure calculations of the group III nitrides and previous optical studies in UV range, a direct probe of their conduction band densities of states is of interest. The authors performed a joint experimental and theoretical investigation using both of these experimental techniques for wurtzite GaN.

High-intensity double-pulse X-ray free-electron laser

DOE PAGES

Marinelli, A.; Ratner, D.; Lutman, A. A.; ...

2015-03-06

The X-ray free-electron laser has opened a new era for photon science, improving the X-ray brightness by ten orders of magnitude over previously available sources. Similar to an optical laser, the spectral and temporal structure of the radiation pulses can be tailored to the specific needs of many experiments by accurately manipulating the lasing medium, that is, the electron beam. Here we report the generation of mJ-level two-colour hard X-ray pulses of few femtoseconds duration with an XFEL driven by twin electron bunches at the Linac Coherent Light Source. This performance represents an improvement of over an order of magnitudemore » in peak power over state-of-the-art two-colour XFELs. The unprecedented intensity and temporal coherence of this new two-colour X-ray free-electron laser enable an entirely new set of scientific applications, ranging from X-ray pump/X-ray probe experiments to the imaging of complex biological samples with multiple wavelength anomalous dispersion.« less

Helios-2 Vela-Ariel-5 gamma-ray burst source position

NASA Technical Reports Server (NTRS)

Cline, T. L.; Trainor, J. H.; Desai, U. D.; Klebesadel, R. W.; Ricketts, M.; Heluken, H.

1979-01-01

The gamma-ray burst of 28 January 1976, one of 18 events thus far detected in interplanetary space with Helios-2, was also observed with the Vela-5A, -6A and the Ariel-5 satellites. A small source field is obtained from the intersection of the region derived from the observed time delays between Helios-2 and Vela-5A and -6A with the source region independently found with the Ariel-5 X-ray detector. This area contains neither any steady X-ray source as scanned by HEAO-A nor any previously catalogued X-ray, radio or infrared sources, X-ray transients, quasars, seyferts, globular clusters, flare stars, pulsars, white dwarfs or high energy gamma-ray sources. The region is however, within the source field of a gamma-ray transient observed in 1974, which exhibited nuclear gamma-ray line structure.

Opening the CHOCBOX: clumpy stellar winds in Cyg X-1

NASA Astrophysics Data System (ADS)

Grinberg, V.; Uttley, P.; Wilms, J.; Miller-Jones, J.; Pottschmidt, K.; Niu, S.; Hirsch, M.; Chocbox Collaboration

2017-10-01

Winds of O/B-stars are key drivers of enrichment and star formation and evolution. Yet, our understanding of their clumpy structure is limited. Luckily, high mass X-ray binaries, where the compact object accretes from the stellar wind of the companion, are perfect laboratories to study such winds: the X-ray radiation from the vicinity of the compact object is quasi-pointlike and effectively X-rays the clumps crossing the line of sight. We observed the high mass X-ray binary Cyg X-1 with XMM for 7 consecutive days with simultaneous coverage with NuSTAR, INTEGRAL and VLBA. One of our main aims was to probe the wind of the O-type companion in an unprecedented uninterrupted campaign, spanning more than an orbital period and including two superior conjunctions where we expect the densest wind. Here, we present first results from the CHOCBOX (Cyg X-1 Hard state Observations of a Complete Binary Orbit in X-rays) campaign and compare them to previous work, in particular multi-year studies of absorption variability and high resolution snapshots with Chandra-HETG. We argue that the clumps have a complex structure with hotter outer and colder inner layers and are not symmetrical.

Simultaneous Monitoring of X-Ray and Radio Variability in Sagittarius A*

NASA Astrophysics Data System (ADS)

Capellupo, Daniel M.; Haggard, Daryl; Choux, Nicolas; Baganoff, Fred; Bower, Geoffrey C.; Cotton, Bill; Degenaar, Nathalie; Dexter, Jason; Falcke, Heino; Fragile, P. Chris; Heinke, Craig O.; Law, Casey J.; Markoff, Sera; Neilsen, Joey; Ponti, Gabriele; Rea, Nanda; Yusef-Zadeh, Farhad

2017-08-01

Monitoring of Sagittarius A* from X-ray to radio wavelengths has revealed structured variability—including X-ray flares—but it is challenging to establish correlations between them. Most studies have focused on variability in the X-ray and infrared, where variations are often simultaneous, and because long time series at submillimeter and radio wavelengths are limited. Previous work on submillimeter and radio variability hints at a lag between X-ray flares and their candidate submillimeter or radio counterparts, with the long wavelength data lagging the X-ray. However, there is only one published time lag between an X-ray flare and a possible radio counterpart. Here we report nine contemporaneous X-ray and radio observations of Sgr A*. We detect significant radio variability peaking ≳ 176 minutes after the brightest X-ray flare ever detected from Sgr A*. We also report other potentially associated X-ray and radio variability, with the radio peaks appearing ≲ 80 minutes after these weaker X-ray flares. Taken at face value, these results suggest that stronger X-ray flares lead to longer time lags in the radio. However, we also test the possibility that the variability at X-ray and radio wavelengths is not temporally correlated. We cross-correlate data from mismatched X-ray and radio epochs and obtain comparable correlations to the matched data. Hence, we find no overall statistical evidence that X-ray flares and radio variability are correlated, underscoring a need for more simultaneous, long duration X-ray-radio monitoring of Sgr A*.

EFFECTS OF LASER RADIATION ON MATTER. LASER PLASMA: Low-threshold generation of harmonics and hard x radiation in a laser plasma. 2. Multipeak generation

NASA Astrophysics Data System (ADS)

Apollonov, V. V.; Derzhavin, S. I.; Kazakov, K. Kh

1993-02-01

The conditions for the generation of hard x radiation with a multipeak structure in a plasma pumped by a long pulse from a free-running CO2 laser at a low intensity (q≲10 GW/cm2) have been studied. This x-ray generation had been observed in a previous study by the present authors. It is shown that this generation of hard x radiation with a multipeak structure leads to a more than tenfold increase in the yield of hard x radiation per laser pulse, under optimum conditions. This increase results from the additional peaks in the x-ray signal. An explanation of this effect is proposed.

Redox chemistry of a binary transition metal oxide (AB2O4): a study of the Cu(2+)/Cu(0) and Fe(3+)/Fe(0) interconversions observed upon lithiation in a CuFe2O4 battery using X-ray absorption spectroscopy.

PubMed

Cama, Christina A; Pelliccione, Christopher J; Brady, Alexander B; Li, Jing; Stach, Eric A; Wang, Jiajun; Wang, Jun; Takeuchi, Esther S; Takeuchi, Kenneth J; Marschilok, Amy C

2016-06-22

Copper ferrite, CuFe2O4, is a promising candidate for application as a high energy electrode material in lithium based batteries. Mechanistic insight on the electrochemical reduction and oxidation processes was gained through the first X-ray absorption spectroscopic study of lithiation and delithiation of CuFe2O4. A phase pure tetragonal CuFe2O4 material was prepared and characterized using laboratory and synchrotron X-ray diffraction, Raman spectroscopy, and transmission electron microscopy. Ex situ X-ray absorption spectroscopy (XAS) measurements were used to study the battery redox processes at the Fe and Cu K-edges, using X-ray absorption near-edge structure (XANES), extended X-ray absorption fine structure (EXAFS), and transmission X-ray microscopy (TXM) spectroscopies. EXAFS analysis showed upon discharge, an initial conversion of 50% of the copper(ii) to copper metal positioned outside of the spinel structure, followed by a migration of tetrahedral iron(iii) cations to octahedral positions previously occupied by copper(ii). Upon charging to 3.5 V, the copper metal remained in the metallic state, while iron metal oxidation to iron(iii) was achieved. The results provide new mechanistic insight regarding the evolution of the local coordination environments at the iron and copper centers upon discharging and charging.

Integrated in-situ probes for structural and dynamic properties of geological materials at ultrahigh pressures and temperatures

NASA Astrophysics Data System (ADS)

Mao, H.; Mao, W. L.

2005-12-01

Multiple x-ray and allied probes have been recently developed and integrated with diamond-anvil cells at synchrotron facilities. They have effectively opened up the vast field area of the Earth's interior to direct, in-situ study. For instance, x-ray emission spectroscopy identifies the high-spin-low-spin transition that governs Fe-Mg partitioning, the most important factor in element differentiation in the mantle. Inelastic x-ray near-edge spectroscopy reveals the bonding nature of light elements that control the phase transitions, structure and partitioning of these elements (e.g., carbon bonding changes as an element, and in oxides, carbonates, and silicates). X-ray diffraction combined with laser-heated diamond anvil cell determines crystal structures and P-V-T equations of state. Shear moduli, single-crystal elasticity, and phonon dynamics can be measured to the core pressures with newly-enabled, complementary techniques, including radial x-ray diffraction, nuclear resonant inelastic x-ray scattering, non-resonant inelastic x-ray scattering, high-temperature Raman spectroscopy, and Brillouin scattering spectroscopy. The nonhydrostatic stress in solid samples which was previously regarded as a nuisance that degraded the experiments, can now be used for extracting important rheological information, including deformation mechanisms, preferred orientation, slip systems, plasticity, failure, and shear strength of major mantle and core minerals at high pressures. With the new arsenal of experimental techniques over the extended P-T-x regimes at we can now address questions that were not conceivable only a decade ago. Knowledge of the high P-T properties is leading to fundamental improvements in interpreting seismological observations and understanding the structure, dynamics, and evolution of the Earth's deep interior.

High-pressure x-ray diffraction study on lithium borohydride using a synchrotron radiation

NASA Astrophysics Data System (ADS)

Nakano, S.; Nakayama, A.; Kikegawa, T.

2008-07-01

Lithium borohydride (LiBH4) was compressed up to 10 GPa using a diamond-anvil-cell to investigate its high-pressure structure. In-situ x-ray diffraction profiles indicated a pressure-induced transformation at 1.1 GPa, which was consistent with the previous experimental observation such as Raman scattering spectroscopy. The high-pressure phase was indexed on a tetragonal symmetry of P42/mmc, which was not corresponding some structural models proposed by previous calculation studies. An unknown substance (presumably another Li-B-H compound), which was contained in the starting material, also transformed into its high-pressure phase at 0.6 GPa without any relation to the transformation of LiBH4.

Recent X-ray Variability of eta Carinae: the Quick Road to Recovery

NASA Technical Reports Server (NTRS)

Corcoran, M. Francis; Hamaguchi, K.; Pittard, J. M.; Russell, C. M. P.; Owocki, S. P.; Parkin, E. R.; Okazaki, A.

2010-01-01

We report continued monitoring of the superluminous binary system eta Car by the Proportional Counter Array on the Rossi X-ray Timing Observatory (RXTE) through the 2009 X-ray minimum. The RXTE campaign shows that the minimum began on 2009 January 16, consistent with the phasings of the two previous minima, and overall, the temporal behavior of the X-ray emission was similar to that observed by RXTE in the previous two cycles. However, important differences did occur. The 2-10 keV X-ray flux and X-ray hardness decreased in the 2.5-year interval leading up to the 2009 minimum compared to the previous cycle. Most intriguingly, the 2009 X-ray minimum was about one month shorter than either of the previous two minima. During the egress from the 2009 minimum the X-ray hardness increased markedly as it had during egress from the previous two minima, although the maximum X-ray hardness achieved was less than the maximum observed after the two previous recoveries. We suggest that the cycle-to-cycle variations, especially the unexpectedly early recovery from the 2009 X-ray minimum, might have been the result of a decline in eta Car's wind momentum flux produced by a drop in eta Car's mass loss rate or wind terminal velocity (or some combination), though if so the change in wind momentum flux required to match the X-ray variation is surprisingly large.

Chandra X-Ray Observatory Image of the Distant Galaxy, 3C294

NASA Technical Reports Server (NTRS)

2000-01-01

This most distant x-ray cluster of galaxies yet has been found by astronomers using Chandra X-ray Observatory (CXO). Approximately 10 billion light-years from Earth, the cluster 3C294 is 40 percent farther than the next most distant x-ray galaxy cluster. The existence of such a faraway cluster is important for understanding how the universe evolved. CXO's image reveals an hourglass-shaped region of x-ray emissions centered on the previously known central radio source (seen in this image as the blue central object) that extends outward for 60,000 light- years. The vast clouds of hot gas that surround such galaxies in clusters are thought to be heated by collapse toward the center of the cluster. Until CXO, x-ray telescopes have not had the needed sensitivity to identify such distant clusters of galaxies. Galaxy clusters are the largest gravitationally bound structures in the universe. The intensity of the x-rays in this CXO image of 3C294 is shown as red for low energy x-rays, green for intermediate, and blue for the most energetic x-rays. (Photo credit: NASA/loA/A. Fabian et al)

Monomolecular Siloxane Film as a Model of Single Site Catalysts

DOE PAGES

Martynowycz, Michael W.; Hu, Bo; Kuzmenko, Ivan; ...

2016-09-06

Achieving structurally well-defined catalytic species requires a fundamental understanding of surface chemistry. Detailed structural characterization of the catalyst binding sites in situ, such as single site catalysts on silica supports, is technically challenging or even unattainable. Octadecyltrioxysilane (OTOS) monolayers formed from octadecyltrimethoxysilane (OTMS) at the air-liquid interface after hydrolysis and condensation at low pH were chosen as a model system of surface binding sites in silica-supported Zn 2+ catalysts. We characterize the system by grazing incidence X-ray diffraction, X-ray reflectivity (XR), and X-ray fluorescence spectroscopy (XFS). Previous X-ray and infrared surface studies of OTMS/OTOS films at the airliquid interface proposedmore » the formation of polymer OTOS structures. According to our analysis, polymer formation is inconsistent with the X-ray observations and structural properties of siloxanes; it is energetically unfavorable and thus highly unlikely. We suggest an alternative mechanism of hydrolysis/condensation in OTMS leading to the formation of structurally allowed cyclic trimers with the six-membered siloxane rings, which explain well both the X-ray and infrared results. XR and XFS consistently demonstrate that tetrahedral [Zn(NH 3) 4] 2+ ions bind to hydroxyl groups of the film at a stoichiometric ratio of OTOS:Zn ~ 2:1. The high binding affinity of zinc ions to OTOS trimers suggests that the six-membered siloxane rings are binding locations for single site Zn/SiO 2 catalysts. Finally, our results show that OTOS monolayers may serve as a platform for studying silica surface chemistry or hydroxyl-mediated reactions.« less

Exploring Hot Gas at Junctions of Galaxy Filaments

NASA Astrophysics Data System (ADS)

Mitsuishi, Ikuyuki; Yamasaki, Noriko; Kawahara, Hajime; Sekiya, Norio; Sasaki, Shin; Sousbie, Thierry

Because galaxies are forced to follow the strong gravitational potential created by the underlying cosmic web of the dark matter, their distribution reflects its filamentary structures. By identifying the filamentary structures, one can therefore recover a map of the network that drives structure formation. Filamentary junctions are regions of particular interest as they identify places where mergers and other interesting astrophysical phenomena have high chances to occur. We identified the galaxy filaments by our original method (Sousbie (2011) & Sousbie et al. (2011)) and X-ray pointing observations were conducted for the six fields locating in the junctions of the galaxy filaments where no specific diffuse X-ray emissions had previously been detected so far. We discovered significant X-ray signals in their images and spectra of the all regions. Spectral analysis demonstrated that six sources originate from diffuse emissions associated with optically bright galaxies, group-scale, or cluster-scale X-ray halos with kT˜1-4 keV, while the others are compact object origin. Interestingly, all of the newly discovered three intracluster media show peculiar features such as complex or elongated morphologies in X-ray and/or optical and hot spot involved in ongoing merger events (Kawahara et al. (2011) & Mitsuishi et al. (2014)). In this conference, results of follow-up radio observations for the merging groups as well as the details of the X-ray observations will be reported.

Revealing electronic structure changes in Chevrel phase cathodes upon Mg insertion using X-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan, Liwen F.; Wright, Joshua; Perdue, Brian R.

Following previous work predicting the electronic response of the Chevrel phase Mo6S8 upon Mg insertion (Thole et al., Phys. Chem. Chem. Phys., 2015, 17, 22548), we provide the experimental proof, evident in X-ray absorption spectroscopy, to illustrate the charge compensation mechanism of the Chevrel phase compound during Mg insertion and de-insertion processes.

Hard X-ray imaging spectroscopy of FOXSI microflares

NASA Astrophysics Data System (ADS)

Glesener, Lindsay; Krucker, Sam; Christe, Steven; Buitrago-Casas, Juan Camilo; Ishikawa, Shin-nosuke; Foster, Natalie

2015-04-01

The ability to investigate particle acceleration and hot thermal plasma in solar flares relies on hard X-ray imaging spectroscopy using bremsstrahlung emission from high-energy electrons. Direct focusing of hard X-rays (HXRs) offers the ability to perform cleaner imaging spectroscopy of this emission than has previously been possible. Using direct focusing, spectra for different sources within the same field of view can be obtained easily since each detector segment (pixel or strip) measures the energy of each photon interacting within that segment. The Focusing Optics X-ray Solar Imager (FOXSI) sounding rocket payload has successfully completed two flights, observing microflares each time. Flare images demonstrate an instrument imaging dynamic range far superior to the indirect methods of previous instruments like the RHESSI spacecraft.In this work, we present imaging spectroscopy of microflares observed by FOXSI in its two flights. Imaging spectroscopy performed on raw FOXSI images reveals the temperature structure of flaring loops, while more advanced techniques such as deconvolution of the point spread function produce even more detailed images.

Scintillator high-gain avalanche rushing photoconductor active-matrix flat panel imager: Zero-spatial frequency x-ray imaging properties of the solid-state SHARP sensor structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wronski, M.; Zhao, W.; Tanioka, K.

Purpose: The authors are investigating the feasibility of a new type of solid-state x-ray imaging sensor with programmable avalanche gain: scintillator high-gain avalanche rushing photoconductor active matrix flat panel imager (SHARP-AMFPI). The purpose of the present work is to investigate the inherent x-ray detection properties of SHARP and demonstrate its wide dynamic range through programmable gain. Methods: A distributed resistive layer (DRL) was developed to maintain stable avalanche gain operation in a solid-state HARP. The signal and noise properties of the HARP-DRL for optical photon detection were investigated as a function of avalanche gain both theoretically and experimentally, and themore » results were compared with HARP tube (with electron beam readout) used in previous investigations of zero spatial frequency performance of SHARP. For this new investigation, a solid-state SHARP x-ray image sensor was formed by direct optical coupling of the HARP-DRL with a structured cesium iodide (CsI) scintillator. The x-ray sensitivity of this sensor was measured as a function of avalanche gain and the results were compared with the sensitivity of HARP-DRL measured optically. The dynamic range of HARP-DRL with variable avalanche gain was investigated for the entire exposure range encountered in radiography/fluoroscopy (R/F) applications. Results: The signal from HARP-DRL as a function of electric field showed stable avalanche gain, and the noise associated with the avalanche process agrees well with theory and previous measurements from a HARP tube. This result indicates that when coupled with CsI for x-ray detection, the additional noise associated with avalanche gain in HARP-DRL is negligible. The x-ray sensitivity measurements using the SHARP sensor produced identical avalanche gain dependence on electric field as the optical measurements with HARP-DRL. Adjusting the avalanche multiplication gain in HARP-DRL enabled a very wide dynamic range which encompassed all clinically relevant medical x-ray exposures. Conclusions: This work demonstrates that the HARP-DRL sensor enables the practical implementation of a SHARP solid-state x-ray sensor capable of quantum noise limited operation throughout the entire range of clinically relevant x-ray exposures. This is an important step toward the realization of a SHARP-AMFPI x-ray flat-panel imager.« less

KSC-chandra-xo2

NASA Image and Video Library

1999-01-21

The Chandra X-ray Observatory (CXO), NASA's newest space telescope, is seen above at the unveiling ceremony at TRW Space and Electronics Group in Redondo Beach, Calif. The photo was taken by Marshall Space Flight Center and appears on its Marshall News Center Web site, along with other digital images of the completely assembled observatory. Formerly called the Advanced X-ray Astrophysics Facility, the CXO is the world's most powerful X-ray telescope. Scientists believe its ability to see previously invisible black holes and high-temperature gas clouds give the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pp0354

NASA Image and Video Library

1999-03-26

Viewed from above in the Vertical Processing Facility, the Chandra X-ray Observatory is seen with one of its solar panel arrays attached, at right. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

KSC-99pp0356

NASA Image and Video Library

1999-03-25

In the Vertical Processing Facility, TRW workers continue checking the deployment of the solar panel array (right) after attaching it to the Chandra X-ray Observatory (left). Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

KSC-99pp0352

NASA Image and Video Library

1999-03-26

TRW technicians in the Vertical Processing Facility check the fitting of the solar panel array being attached to the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

KSC-99pp0363

NASA Image and Video Library

1999-03-26

TRW workers in the Vertical Processing Facility check equipment after deployment of the solar panel array above them, attached to the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

KSC-99pp0362

NASA Image and Video Library

1999-03-26

In the Vertical Processing Facility, the Chandra X-ray Observatory is observed after deployment of the solar panel array (near the bottom and to the right). Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

Study of the Anatomy of the X-Ray and Neutron Production Scaling Laws in the Plasma Focus.

DTIC Science & Technology

1980-05-15

plasma focus discharge in deuterium as an extension of our previous work on scaling laws of x-ray and neutron production. The structure of dense plasmoids which emit MeV ions has been recorded by ion imaging with pinhole camera and contact print techniques. The plasmoids are generated in the same region in which particle beams, neutron and x-ray emission reach a maximum of intensity. Sharply defined boundaries of the ion-beam source and of plasmoids have been obtained by ion track etching on plastic material

Phase-contrast microtomography using an X-ray interferometer having a 40-μm analyzer

NASA Astrophysics Data System (ADS)

Momose, A.; Koyama, I.; Hamaishi, Y.; Yoshikawa, H.; Takeda, T.; Wu, J.; Itai, Y.; Takai, , K.; Uesugi, K.; Suzuki, Y.

2003-03-01

Phase-contrast X-ray tomographic experiment using a triple Laue-case (LLL) interferometer having a 40-μm lamella which was fabricated to improve spatial resolution, was carried out using undulator X-rays at SPring-8, Japan. Three-dimensional images mapping the refractive index were measured for various animal tissues. Comparing the images with those obtained in previous experiments using conventional LLL interferometers having a 1-mm lamella, improvement in the spatial resolution was demonstrated in that histological structures, such as hepatic lobules in liver and tubules in kidney, were revealed.

The optical, ultraviolet, and X-ray structure of the quasar HE 0435–1223

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blackburne, Jeffrey A.; Kochanek, Christopher S.; Chen, Bin

2014-07-10

Microlensing has proved an effective probe of the structure of the innermost regions of quasars and an important test of accretion disk models. We present light curves of the lensed quasar HE 0435–1223 in the R band and in the ultraviolet (UV), and consider them together with X-ray light curves in two energy bands that are presented in a companion paper. Using a Bayesian Monte Carlo method, we constrain the size of the accretion disk in the rest-frame near- and far-UV, and constrain for the first time the size of the X-ray emission regions in two X-ray energy bands. Themore » R-band scale size of the accretion disk is about 10{sup 15.23} cm (∼23r{sub g}), slightly smaller than previous estimates, but larger than would be predicted from the quasar flux. In the UV, the source size is weakly constrained, with a strong prior dependence. The UV to R-band size ratio is consistent with the thin disk model prediction, with large error bars. In soft and hard X-rays, the source size is smaller than ∼10{sup 14.8} cm (∼10r{sub g} ) at 95% confidence. We do not find evidence of structure in the X-ray emission region, as the most likely value for the ratio of the hard X-ray size to the soft X-ray size is unity. Finally, we find that the most likely value for the mean mass of stars in the lens galaxy is ∼0.3 M{sub ☉}, consistent with other studies.« less

Extraplanar X-ray emission from disc-wide outflows in spiral galaxies

NASA Astrophysics Data System (ADS)

Vijayan, Aditi; Sarkar, Kartick C.; Nath, Biman B.; Sharma, Prateek; Shchekinov, Yuri

2018-04-01

We study the effects of mass and energy injection due to OB associations spread across the rotating disc of a Milky Way-type galaxy, with the help of three-dimensional (3D) hydrodynamic simulations. We compare the resulting X-ray emission with that produced from the injection of mass and energy from a central region. We find that the predicted X-ray image shows a filamentary structure that arises even in the absence of disc gas inhomogeneity. This structure stems from warm clumps made of disc material being lifted by the injected gas. We show that as much as half of the total X-ray emission comes from regions surrounding warm clumps that are made of a mix of disc and injected gas. This scenario has the potential to explain the origin of the observed extraplanar X-ray emission around star-forming galaxies and can be used to understand the observed sub-linear relation between the LX, the total X-ray luminosity, and star formation rate (SFR). We quantify the mass contained in these `bow-shock' regions. We also show that the top-most region of the outer shock above the central area emits harder X-rays than the rest. Further, we find that the mass distribution in different temperature ranges is bimodal, peaking at 104-105 K (in warm clumps) and 106-107 K (X-ray emitting gas). The mass-loading factor is found to decrease with increasing SFR, consistent with previous theoretical estimates and simulations.

A new Cu–cysteamine complex: structure and optical properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Lun; Chen, Wei; Schatte, Gabriele

2014-06-07

Here we report the structure and optical properties of a new Cu–cysteamine complex (Cu–Cy) with a formula of Cu3Cl(SR)2 (R ¼ CH2CH2NH2). This Cu–Cy has a different structure from a previous Cu–Cy complex, in which both thio and amine groups from cysteamine bond with copper ions. Single-crystal X-ray diffraction and solid-state nuclear magnetic resonance results show that the oxidation state of copper in Cu3Cl(SR)2 is +1 rather than +2. Further, Cu3Cl(SR)2 has been observed to show intense photoluminescence and X-ray excited luminescence. More interesting is that Cu3Cl(SR)2 particles can produce singlet oxygen under irradiation by light or X-ray. This indicatesmore » that Cu3Cl(SR)2 is a new photosensitizer that can be used for deep cancer treatment as X-ray can penetrate soft tissues. All these findings mean that Cu3Cl(SR)2 is a new material with potential applications for lighting, radiation detection and cancer treatment.« less

Near- and Extended-Edge X-Ray-Absorption Fine-Structure Spectroscopy Using Ultrafast Coherent High-Order Harmonic Supercontinua

NASA Astrophysics Data System (ADS)

Popmintchev, Dimitar; Galloway, Benjamin R.; Chen, Ming-Chang; Dollar, Franklin; Mancuso, Christopher A.; Hankla, Amelia; Miaja-Avila, Luis; O'Neil, Galen; Shaw, Justin M.; Fan, Guangyu; Ališauskas, Skirmantas; Andriukaitis, Giedrius; Balčiunas, Tadas; Mücke, Oliver D.; Pugzlys, Audrius; Baltuška, Andrius; Kapteyn, Henry C.; Popmintchev, Tenio; Murnane, Margaret M.

2018-03-01

Recent advances in high-order harmonic generation have made it possible to use a tabletop-scale setup to produce spatially and temporally coherent beams of light with bandwidth spanning 12 octaves, from the ultraviolet up to x-ray photon energies >1.6 keV . Here we demonstrate the use of this light for x-ray-absorption spectroscopy at the K - and L -absorption edges of solids at photon energies near 1 keV. We also report x-ray-absorption spectroscopy in the water window spectral region (284-543 eV) using a high flux high-order harmonic generation x-ray supercontinuum with 109 photons/s in 1% bandwidth, 3 orders of magnitude larger than has previously been possible using tabletop sources. Since this x-ray radiation emerges as a single attosecond-to-femtosecond pulse with peak brightness exceeding 1026 photons/s /mrad2/mm2/1 % bandwidth, these novel coherent x-ray sources are ideal for probing the fastest molecular and materials processes on femtosecond-to-attosecond time scales and picometer length scales.

The Linac Coherent Light Source: Recent Developments and Future Plans

DOE PAGES

Schoenlein, R. W.; Boutet, S.; Minitti, M. P.; ...

2017-08-18

The development of X-ray free-electron lasers (XFELs) has launched a new era in X-ray science by providing ultrafast coherent X-ray pulses with a peak brightness that is approximately one billion times higher than previous X-ray sources. The Linac Coherent Light Source (LCLS) facility at the SLAC National Accelerator Laboratory, the world’s first hard X-ray FEL, has already demonstrated a tremendous scientific impact across broad areas of science. Here in this paper, a few of the more recent representative highlights from LCLS are presented in the areas of atomic, molecular, and optical science; chemistry; condensed matter physics; matter in extreme conditions;more » and biology. This paper also outlines the near term upgrade (LCLS-II) and motivating science opportunities for ultrafast X-rays in the 0.25–5 keV range at repetition rates up to 1 MHz. Future plans to extend the X-ray energy reach to beyond 13 keV (<1 Å) at high repetition rate (LCLS-II-HE) are envisioned, motivated by compelling new science of structural dynamics at the atomic scale.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Friebel, Daniel

In situ x-ray absorption spectroscopy (XAS) at the Pt L{sub 3} edge is a useful probe for Pt-O interactions at polymer electrolyte membrane fuel cell (PEMFC) cathodes. We show that XAS using the high energy resolution fluorescence detection (HERFD) mode, applied to a well-defined monolayer Pt/Rh(111) sample where the bulk penetrating hard x-rays probe only surface Pt atoms, provides a unique sensitivity to structure and chemical bonding at the Pt-electrolyte interface. Ab initio multiple-scattering calculations using the FEFF8 code and complementary extended x-ray absorption fine structure (EXAFS) results indicate that the commonly observed large increase of the white-line at highmore » electrochemical potentials on PEMFC cathodes originates from platinum oxide formation, whereas previously proposed chemisorbed oxygen-containing species merely give rise to subtle spectral changes.« less

In-situ High-energy X-ray Diffraction Study of the Local Structure of Supercooled Liquid Si

NASA Technical Reports Server (NTRS)

Lee, G. W.; Kim, T. H.; Sieve, B.; Gangopadhyay, A. K.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, D. S.; Kelton, K. F.; Goldman, A. I.

2005-01-01

While changes in the coordination number for liquid silicon upon supercooling, signaling an underlying liquid-liquid phase transition, have been predicted, x-ray and neutron measurements have produced conflicting reports. In particular some studies have found an increase in the first shell coordination as temperature decreases in the supercooled regime, while others have reported increases in the coordination number with decreasing temperature. Employing the technique of electrostatic levitation coupled with high energy x-ray diffraction (125 keV), and rapid data acquisition (100ms collection times) using an area detector, we have obtained high quality structural data more deeply into the supercooled regime than has been possible before. No change in coordination number is observed in this temperature region, calling into question previous experimental claims of structural evidence for the existence of a liquid-liquid phase transition.

X-ray Raman spectroscopy of lithium-ion battery electrolyte solutions in a flow cell.

PubMed

Ketenoglu, Didem; Spiekermann, Georg; Harder, Manuel; Oz, Erdinc; Koz, Cevriye; Yagci, Mehmet C; Yilmaz, Eda; Yin, Zhong; Sahle, Christoph J; Detlefs, Blanka; Yavaş, Hasan

2018-03-01

The effects of varying LiPF 6 salt concentration and the presence of lithium bis(oxalate)borate additive on the electronic structure of commonly used lithium-ion battery electrolyte solvents (ethylene carbonate-dimethyl carbonate and propylene carbonate) have been investigated. X-ray Raman scattering spectroscopy (a non-resonant inelastic X-ray scattering method) was utilized together with a closed-circle flow cell. Carbon and oxygen K-edges provide characteristic information on the electronic structure of the electrolyte solutions, which are sensitive to local chemistry. Higher Li + ion concentration in the solvent manifests itself as a blue-shift of both the π* feature in the carbon edge and the carbonyl π* feature in the oxygen edge. While these oxygen K-edge results agree with previous soft X-ray absorption studies on LiBF 4 salt concentration in propylene carbonate, carbon K-edge spectra reveal a shift in energy, which can be explained with differing ionic conductivities of the electrolyte solutions.

M(II)-dipyridylamide-based coordination frameworks (M=Mn, Co, Ni): Structural transformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tzeng, Biing-Chiau; Selvam, TamilSelvi; Tsai, Miao-Hsin

2016-11-15

A series of 1-D double-zigzag (([M(papx){sub 2}(H{sub 2}O){sub 2}](ClO{sub 4}){sub 2}){sub n}; M=Mn, x=s (1), x=o (3); M=Co, x=s (4), x=o (5); M=Ni, x=s (6), x=o (7)) and 2-D polyrotaxane ([Mn(paps){sub 2}(ClO{sub 4}){sub 2}]{sub n} (2)) frameworks were synthesized by reactions of M(ClO{sub 4}){sub 2} (M=Mn, Co, and Ni) with papx (paps, N,N’-bis(pyridylcarbonyl)-4,4’-diaminodiphenylthioether; papo, N,N’-bis(pyridylcarbonyl)-4,4’-diaminodiphenyl ether), which have been isolated and structurally characterized by X-ray diffraction. Based on powder X-ray diffraction (PXRD) experiments, heating the double-zigzag frameworks underwent structural transformation to give the respective polyrotaxane ones. Moreover, grinding the solid samples of the respective polyrotaxanes in the presence of moisturemore » also resulted in the total conversion to the original double-zigzag frameworks. In this study, we have successfully extended studies to Mn{sup II}, Co{sup II}, and Ni{sup II} frameworks from the previous Zn{sup II}, Cd{sup II}, and Cu{sup II} ones, and interestingly such structural transformation is able to be proven experimentally by powder and single-crystal X-ray diffraction studies as well. - Graphical abstract: 1-D double-zigzag and 2-D polyrotaxane frameworks of M(II)-papx (x=s, o; M=Mn, Co, Ni) frameworks can be interconverted by heating and grinding in the presence of moiture, and such structural transformation has be proven experimentally by powder and single-crystal X-ray diffraction studies.« less

Imaging osteoarthritis in the knee joints using x-ray guided diffuse optical tomography

NASA Astrophysics Data System (ADS)

Zhang, Qizhi; Yuan, Zhen; Sobel, Eric S.; Jiang, Huabei

2010-02-01

In our previous studies, near-infrared (NIR) diffuse optical tomography (DOT) had been successfully applied to imaging osteoarthritis (OA) in the finger joints where significant difference in optical properties of the joint tissues was evident between healthy and OA finger joints. Here we report for the first time that large joints such as the knee can also be optically imaged especially when DOT is combined with x-ray tomosynthesis where the 3D image of the bones from x-ray is incorporated into the DOT reconstruction as spatial a priori structural information. This study demonstrates that NIR light can image large joints such as the knee in addition to finger joints, which will drastically broaden the clinical utility of our x-ray guided DOT technique for OA diagnosis.

X-ray Variations at the Orbital Period from Cygnus X-1 IN the High/Soft State

NASA Astrophysics Data System (ADS)

Boroson, Bram; Vrtilek, Saeqa Dil

2010-02-01

Orbital variability has been found in the X-ray hardness of the black hole candidate Cygnus X-1 during the soft/high X-ray state using light curves provided by the Rossi X-ray Timing Explorer's All-Sky Monitor. We are able to set broad limits on how the mass-loss rate and X-ray luminosity vary between the hard and soft states. The folded light curve shows diminished flux in the soft X-ray band at phi = 0 (defined as the time of the superior conjunction of the X-ray source). Models of the orbital variability provide slightly superior fits when the absorbing gas is concentrated in neutral clumps and better explain the strong variability in hardness. In combination with the previously established hard/low state dips, our observations give a lower limit to the mass-loss rate in the soft state (\\dot{M}<2× 10^{-6} M_{⊙} yr-1) than the limit in the hard state (\\dot{M}<4× 10^{-6} M_{⊙} yr-1). Without a change in the wind structure between X-ray states, the greater mass-loss rate during the low/hard state would be inconsistent with the increased flaring seen during the high-soft state.

ROSAT EUV and soft X-ray studies of atmospheric composition and structure in G191-B2B

NASA Technical Reports Server (NTRS)

Barstow, M. A.; Fleming, T. A.; Finley, D. S.; Koester, D.; Diamond, C. J.

1993-01-01

Previous studies of the hot DA white dwarf GI91-B2B have been unable to determine whether the observed soft X-ray and EUV opacity arises from a stratified hydrogen and helium atmosphere or from the presence of trace metals in the photosphere. New EUV and soft X-ray photometry of this star, made with the ROSAT observatory, when analyzed in conjunction with the earlier data, shows that the stratified models cannot account for the observed fluxes. Consequently, we conclude that trace metals must be a substantial source of opacity in the photosphere of G191-B2B.

KSC-99pp0350

NASA Image and Video Library

1999-03-26

In the Vertical Processing Facility, TRW technicians get ready to attach and deploy a solar panel array on the Chandra X-ray Observatory, which is sitting on a workstand. The panel is to the right. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

KSC-99pp0353

NASA Image and Video Library

1999-03-26

In the Vertical Processing Facility, a TRW technician checks the attachment of the solar panel array (out of sight to the right) to the Chandra X-ray Observatory, at left. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

Structure and collective dynamics of hydrated anti-freeze protein type III from 180 K to 298 K by X-ray diffraction and inelastic X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshida, Koji; Baron, Alfred Q. R.; Uchiyama, Hiroshi

We investigated hydrated antifreeze protein type III (AFP III) powder with a hydration level h (=mass of water/mass of protein) of 0.4 in the temperature range between 180 K and 298 K using X-ray diffraction and inelastic X-ray scattering (IXS). The X-ray diffraction data showed smooth, largely monotonic changes between 180 K and 298 K without freezing water. Meanwhile, the collective dynamics observed by IXS showed a strong change in the sound velocity at 180 K, after being largely temperature independent at higher temperatures (298–220 K). We interpret this change in terms of the dynamic transition previously discussed using othermore » probes including THz IR absorption spectroscopy and incoherent elastic and quasi-elastic neutron scattering. This finding suggests that the dynamic transition of hydrated proteins is observable on the subpicosecond time scale as well as nano- and pico-second scales, both in collective dynamics from IXS and single particle dynamics from neutron scattering. Moreover, it is most likely that the dynamic transition of hydrated AFP III is not directly correlated with its hydration structure.« less

Structure and collective dynamics of hydrated anti-freeze protein type III from 180 K to 298 K by X-ray diffraction and inelastic X-ray scattering

NASA Astrophysics Data System (ADS)

Yoshida, Koji; Baron, Alfred Q. R.; Uchiyama, Hiroshi; Tsutsui, Satoshi; Yamaguchi, Toshio

2016-04-01

We investigated hydrated antifreeze protein type III (AFP III) powder with a hydration level h (=mass of water/mass of protein) of 0.4 in the temperature range between 180 K and 298 K using X-ray diffraction and inelastic X-ray scattering (IXS). The X-ray diffraction data showed smooth, largely monotonic changes between 180 K and 298 K without freezing water. Meanwhile, the collective dynamics observed by IXS showed a strong change in the sound velocity at 180 K, after being largely temperature independent at higher temperatures (298-220 K). We interpret this change in terms of the dynamic transition previously discussed using other probes including THz IR absorption spectroscopy and incoherent elastic and quasi-elastic neutron scattering. This finding suggests that the dynamic transition of hydrated proteins is observable on the subpicosecond time scale as well as nano- and pico-second scales, both in collective dynamics from IXS and single particle dynamics from neutron scattering. Moreover, it is most likely that the dynamic transition of hydrated AFP III is not directly correlated with its hydration structure.

Structure and collective dynamics of hydrated anti-freeze protein type III from 180 K to 298 K by X-ray diffraction and inelastic X-ray scattering.

PubMed

Yoshida, Koji; Baron, Alfred Q R; Uchiyama, Hiroshi; Tsutsui, Satoshi; Yamaguchi, Toshio

2016-04-07

We investigated hydrated antifreeze protein type III (AFP III) powder with a hydration level h (=mass of water/mass of protein) of 0.4 in the temperature range between 180 K and 298 K using X-ray diffraction and inelastic X-ray scattering (IXS). The X-ray diffraction data showed smooth, largely monotonic changes between 180 K and 298 K without freezing water. Meanwhile, the collective dynamics observed by IXS showed a strong change in the sound velocity at 180 K, after being largely temperature independent at higher temperatures (298-220 K). We interpret this change in terms of the dynamic transition previously discussed using other probes including THz IR absorption spectroscopy and incoherent elastic and quasi-elastic neutron scattering. This finding suggests that the dynamic transition of hydrated proteins is observable on the subpicosecond time scale as well as nano- and pico-second scales, both in collective dynamics from IXS and single particle dynamics from neutron scattering. Moreover, it is most likely that the dynamic transition of hydrated AFP III is not directly correlated with its hydration structure.

Nustar Reveals an Intrinsically X-ray Weak Broad Absorption Line Quasar in the Ultraluminous Infrared Galaxy Markarian 231

NASA Technical Reports Server (NTRS)

Teng, Stacy H.; Brandt. W. N.; Harrison, F. A.; Luo, B.; Alexander, D. M.; Bauer, F. E.; Boggs, S. E.; Christensen, F. E.; Comastri, A.; Craig, W. W.;

A switch from parallel to antiparallel strand orientation in a coiled-coil X-ray structure via two core hydrophobic mutations

DOE PAGES

Malashkevich, Vladimir N.; Higgins, Chelsea D.; Almo, Steven C.; ...

2015-05-06

The coiled-coil is one of the most ubiquitous and well studied protein structural motifs. Significant effort has been devoted to dissecting subtle variations of the typical heptad repeat sequence pattern that can designate larger topological features such as relative α-helical orientation and oligomer size. Here in this paper we report the X-ray structure of a model coiled-coil peptide, HA2-Del-L2seM, which forms an unanticipated core antiparallel dimer with potential sites for discrete higher-order multimerization (trimer or tetramer). In the X-ray structure, a third, partially-ordered α-helix is weakly associated with the antiparallel dimer and analytical ultracentrifugation experiments indicate the peptide forms amore » well-defined tetramer in solution. The HA2-Del-L2seM sequence is closely related to a parent model peptide, HA2-Del, which we previously reported adopts a parallel trimer; HA2-Del-L2seM differs by only hydrophobic leucine to selenomethione mutations and thus this subtle difference is sufficient to switch both relative α-helical topology and number of α-helices participating in the coiled-coil. Comparison of the X-ray structures of HA2-Del-L2seM (reported here) with the HA2-Del parent (reported previously) reveals novel interactions involving the selenomethionine residues that promote antiparallel coiled-coil configuration and preclude parallel trimer formation. Finally, these novel atomic insights are instructive for understanding subtle features that can affect coiled-coil topology and provide additional information for design of antiparallel coiled-coils.« less

The Structure of the Young Star Cluster NGC 6231. I. Stellar Population

NASA Astrophysics Data System (ADS)

Kuhn, Michael A.; Medina, Nicolás; Getman, Konstantin V.; Feigelson, Eric D.; Gromadzki, Mariusz; Borissova, Jordanka; Kurtev, Radostin

2017-09-01

NGC 6231 is a young cluster (age ˜2-7 Myr) dominating the Sco OB1 association (distance ˜1.59 kpc) with ˜100 O and B stars and a large pre-main-sequence stellar population. We combine a reanalysis of archival Chandra X-ray data with multiepoch near-infrared (NIR) photometry from the VISTA Variables in the Vía Lactéa (VVV) survey and published optical catalogs to obtain a catalog of 2148 probable cluster members. This catalog is 70% larger than previous censuses of probable cluster members in NGC 6231. It includes many low-mass stars detected in the NIR but not in the optical and some B stars without previously noted X-ray counterparts. In addition, we identify 295 NIR variables, about half of which are expected to be pre-main-sequence stars. With the more complete sample, we estimate a total population in the Chandra field of 5700-7500 cluster members down to 0.08 {M}⊙ (assuming a universal initial mass function) with a completeness limit at 0.5 {M}⊙ . A decrease in stellar X-ray luminosities is noted relative to other younger clusters. However, within the cluster, there is little variation in the distribution of X-ray luminosities for ages less than 5 Myr. The X-ray spectral hardness for B stars may be useful for distinguishing between early-B stars with X-rays generated in stellar winds and B-star systems with X-rays from a pre-main-sequence companion (>35% of B stars). A small fraction of catalog members have unusually high X-ray median energies or reddened NIR colors, which might be explained by absorption from thick or edge-on disks or being background field stars.

Redox chemistry of a binary transition metal oxide (AB 2 O 4 ): a study of the Cu 2+ /Cu 0 and Fe 3+ /Fe 0 interconversions observed upon lithiation in a CuFe 2 O 4 battery using X-ray absorption spectroscopy

DOE PAGES

Cama, Christina A.; Pelliccione, Christopher J.; Brady, Alexander B.; ...

2016-06-06

Copper ferrite, CuFe 2 O 4, is a promising candidate for application as a high energy electrode material in lithium based batteries. Mechanistic insight on the electrochemical reduction and oxidation processes was gained through the first X-ray absorption spectroscopic study of lithiation and delithiation of CuFe 2 O 4. A phase pure tetragonal CuFe 2 O 4 material was prepared and characterized using laboratory and synchrotron X-ray diffraction, Raman spectroscopy, and transmission electron microscopy. We used ex situ X-ray absorption spectroscopy (XAS) measurements to study the battery redox processes at the Fe and Cu K-edges, using X-ray absorption near-edge structuremore » (XANES), extended X-ray absorption fine structure (EXAFS), and transmission X-ray microscopy (TXM) spectroscopies. EXAFS analysis showed upon discharge, an initial conversion of 50% of the copper(II) to copper metal positioned outside of the spinel structure, followed by a migration of tetrahedral iron(III) cations to octahedral positions previously occupied by copper(II). Then, upon charging to 3.5 V, the copper metal remained in the metallic state, while iron metal oxidation to iron(III) was achieved. Our results provide new mechanistic insight regarding the evolution of the local coordination environments at the iron and copper centers upon discharging and charging.« less

Three-dimensional Structures of Carotenoids by X-ray Crystallography

NASA Astrophysics Data System (ADS)

Helliwell, Madeleine

The number of crystal structures of carotenoid molecules and carotenoid derivatives deposited in the Cambridge Crystallographic Data Centre [1] is still relatively small, but has increased compared with the previous survey [2]. The list is summarized in Table 1.

The formation of molecules in interstellar clouds from singly and multiply ionized atoms

NASA Technical Reports Server (NTRS)

Langer, W. D.

1978-01-01

The suggestion is considered that multiply ionized atoms produced by K- and L-shell X-ray ionization and cosmic-ray ionization can undergo ion-molecule reactions and also initiate molecule production. The role of X-rays in molecule production in general is discussed, and the contribution to molecule production of the C(+) radiative association with hydrogen is examined. Such gas-phase reactions of singly and multiply ionized atoms are used to calculate molecular abundances of carbon-, nitrogen-, and oxygen-bearing species. The column densities of the molecules are evaluated on the basis of a modified version of previously developed isobaric cloud models. It is found that reactions of multiply ionized carbon with H2 can contribute a significant fraction of the observed CH in diffuse interstellar clouds in the presence of diffuse X-ray structures or discrete X-ray sources and that substantial amounts of CH(+) can be produced under certain conditions.

Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source

PubMed Central

Reddy, Hemanth K.N.; Yoon, Chun Hong; Aquila, Andrew; Awel, Salah; Ayyer, Kartik; Barty, Anton; Berntsen, Peter; Bielecki, Johan; Bobkov, Sergey; Bucher, Maximilian; Carini, Gabriella A.; Carron, Sebastian; Chapman, Henry; Daurer, Benedikt; DeMirci, Hasan; Ekeberg, Tomas; Fromme, Petra; Hajdu, Janos; Hanke, Max Felix; Hart, Philip; Hogue, Brenda G.; Hosseinizadeh, Ahmad; Kim, Yoonhee; Kirian, Richard A.; Kurta, Ruslan P.; Larsson, Daniel S.D.; Duane Loh, N.; Maia, Filipe R.N.C.; Mancuso, Adrian P.; Mühlig, Kerstin; Munke, Anna; Nam, Daewoong; Nettelblad, Carl; Ourmazd, Abbas; Rose, Max; Schwander, Peter; Seibert, Marvin; Sellberg, Jonas A.; Song, Changyong; Spence, John C.H.; Svenda, Martin; Van der Schot, Gijs; Vartanyants, Ivan A.; Williams, Garth J.; Xavier, P. Lourdu

2017-01-01

Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65–70 nm, which is considerably smaller than the previously reported ~600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency. PMID:28654088

Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source

DOE PAGES

Reddy, Hemanth K. N.; Yoon, Chun Hong; Aquila, Andrew; ...

2017-06-27

Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65–70 nm, which is considerably smaller than the previously reported ~600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. As a result, themore » data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.« less

Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source.

PubMed

Reddy, Hemanth K N; Yoon, Chun Hong; Aquila, Andrew; Awel, Salah; Ayyer, Kartik; Barty, Anton; Berntsen, Peter; Bielecki, Johan; Bobkov, Sergey; Bucher, Maximilian; Carini, Gabriella A; Carron, Sebastian; Chapman, Henry; Daurer, Benedikt; DeMirci, Hasan; Ekeberg, Tomas; Fromme, Petra; Hajdu, Janos; Hanke, Max Felix; Hart, Philip; Hogue, Brenda G; Hosseinizadeh, Ahmad; Kim, Yoonhee; Kirian, Richard A; Kurta, Ruslan P; Larsson, Daniel S D; Duane Loh, N; Maia, Filipe R N C; Mancuso, Adrian P; Mühlig, Kerstin; Munke, Anna; Nam, Daewoong; Nettelblad, Carl; Ourmazd, Abbas; Rose, Max; Schwander, Peter; Seibert, Marvin; Sellberg, Jonas A; Song, Changyong; Spence, John C H; Svenda, Martin; Van der Schot, Gijs; Vartanyants, Ivan A; Williams, Garth J; Xavier, P Lourdu

2017-06-27

Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65-70 nm, which is considerably smaller than the previously reported ~600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.

Arsenic speciation in sinter mineralization from a hydrothermal channel of El Tatio geothermal field, Chile

NASA Astrophysics Data System (ADS)

Alsina, Marco A.; Zanella, Luciana; Hoel, Cathleen; Pizarro, Gonzalo E.; Gaillard, Jean-François; Pasten, Pablo A.

2014-10-01

El Tatio geothermal field is the principal natural source of arsenic for the Loa River, the main surface water resource in the hyper-arid Atacama Desert (Antofagasta Region, Northern Chile). Prior investigations by bulk X-ray absorption spectroscopy have identified hydrous ferric oxides as the principal arsenic-containing phase in sinter material from El Tatio, suggesting sorption as the main mechanism for arsenic scavenging by the solid phases of these hot spring environments. Here we examine siliceous sinter material sampled from a hydrothermal channel using synchrotron based X-ray micro-probe techniques, including As and Fe Kα X-ray fluorescence (μ-XRF), As K-edge X-ray absorption near edge structure (μ-XANES), and X-ray diffraction (μ-XRD). Least-squares linear fitting of μ-XANES spectra shows that arsenic is predominantly present as arsenate sorbed on hydrous ferric oxides (63% molar proportion), but we also identify nodular arsenide micro-mineralizations (37% molar proportion) similar to loellingite (FeAs2), not previously detected during bulk-scale analysis of the sinter material. Presence of arsenide mineralizations indicates development of anoxic environments on the surface of the siliceous sinter, and suggests a more complex biogeochemistry for arsenic than previously observed for circum-neutral pH brine hot spring environments.

The Columbia University proton-induced soft x-ray microbeam.

PubMed

Harken, Andrew D; Randers-Pehrson, Gerhard; Johnson, Gary W; Brenner, David J

2011-09-15

A soft x-ray microbeam using proton-induced x-ray emission (PIXE) of characteristic titanium (K(α) 4.5 keV) as the x-ray source has been developed at the Radiological Research Accelerator Facility (RARAF) at Columbia University. The proton beam is focused to a 120 μm × 50 μm spot on the titanium target using an electrostatic quadrupole quadruplet previously used for the charged particle microbeam studies at RARAF. The proton induced x-rays from this spot project a 50 μm round x-ray generation spot into the vertical direction. The x-rays are focused to a spot size of 5 μm in diameter using a Fresnel zone plate. The x-rays have an attenuation length of (1/e length of ~145 μm) allowing more consistent dose delivery across the depth of a single cell layer and penetration into tissue samples than previous ultra soft x-ray systems. The irradiation end station is based on our previous design to allow quick comparison to charged particle experiments and for mixed irradiation experiments.

History of Chandra X-Ray Observatory

NASA Image and Video Library

1998-01-01

This photograph shows a TRW technician inspecting the completely assembled Chandra X-ray Observatory (CXO) in the Thermal Vacuum Chamber at TRW Space and Electronics Group of Redondo Beach, California. The CXO is formerly known as the Advanced X-Ray Astrophysics Facility (AXAF), which was renamed in honor of the late Indian-American Astronomer, Subrahmanyan Chandrasekhar in 1999. The CXO will help astronomers worldwide better understand the structure and evolution of the universe by studying powerful sources of x-rays such as exploding stars, matter falling into black holes and other exotic celestial objects. X-ray astronomy can only be done from space because Earth's atmosphere blocks x-rays from reaching the surface. The Observatory provides images that are 50 times more detailed than previous x-ray missions. At more than 45 feet in length and weighing more than 5 tons, it will be one of the largest objects ever placed in Earth orbit by the Space Shuttle. TRW, Inc. was the prime contractor and assembled and tested the observatory for NASA. The CXO program is managed by the Marshall Space Flight Center. The Observatory was launched on July 22, 1999 aboard the Space Shuttle Columbia, STS-93 mission. (Image courtesy of TRW)

History of Chandra X-Ray Observatory

NASA Image and Video Library

1999-01-01

This photograph shows TRW technicians preparing the assembled Chandra X-Ray Observatory (CXO) for an official unveiling at TRW Space and Electronics Group of Redondo Beach, California. The CXO is formerly known as the Advanced X-Ray Astrophysics Facility (AXAF), which was renamed in honor of the late Indian-American Astronomer, Subrahmanyan Chandrasekhar in 1999. The CXO will help astronomers world-wide better understand the structure and evolution of the universe by studying powerful sources of x-rays such as exploding stars, matter falling into black holes, and other exotic celestial objects. X-ray astronomy can only be done from space because Earth's atmosphere blocks x-rays from reaching the surface. The Observatory provides images that are 50 times more detailed than previous x-ray missions. At more than 45 feet in length and weighing more than 5 tons, it will be one of the largest objects ever placed in Earth orbit by the Space Shuttle. TRW, Inc. was the prime contractor and assembled and tested the observatory for NASA. The CXO program is managed by the Marshall Space Flight Center. The Observatory was launched on July 22, 1999 aboard the Space Shuttle Columbia, STS-93 mission. (Image courtesy of TRW)

SPECTRAL ANALYSIS IN ORBITAL/SUPERORBITAL PHASE SPACE AND HINTS OF SUPERORBITAL VARIABILITY IN THE HARD X-RAYS OF LS I +61°303

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jian; Torres, Diego F.; Zhang, Shu

2014-04-10

We present an INTEGRAL spectral analysis in the orbital/superorbital phase space of LS I +61°303. A hard X-ray spectrum with no cutoff is observed at all orbital/superorbital phases. The hard X-ray index is found to be uncorrelated with the radio index (non-simultaneously) measured at the same orbital and superorbital phases. In particular, the absence of an X-ray spectrum softening during periods of negative radio index does not favor a simple interpretation of the radio index variations in terms of a microquasar's changes of state. We uncover hints of superorbital variability in the hard X-ray flux, in phase with the superorbitalmore » modulation in soft X-rays. An orbital phase drift of the radio peak flux and index along the superorbital period is observed in the radio data. We explore its influence on a previously reported double-peak structure of a radio orbital light curve, and present it as a plausible explanation.« less

Evidence For Quasi-Periodic X-ray Dips From An Ultraluminous X-ray Source: Implications for the Binary Motion

NASA Technical Reports Server (NTRS)

Pasham, Dheeraj R.; Strohmayer, Tod E.

2013-01-01

We report results from long-term (approx.1240 days) X-ray (0.3-8.0 keV) monitoring of the ultraluminous X-ray source NGC 5408 X-1 with the Swift/X-Ray Telescope. Here we expand on earlier work by Strohmayer (2009) who used only a part of the present data set. Our primary results are: (1) the discovery of sharp, quasi-periodic, energy-independent dips in the X-ray intensity that recur on average every 243 days, (2) the detection of an energy dependent (variability amplitude decreases with increasing energy), quasi-sinusoidal X-ray modulation with a period of 112.6 +/- 4 days, the amplitude of which weakens during the second half of the light curve, and (3) spectral evidence for an increase in photoelectric absorption during the last continuous segment of the data. We interpret the X-ray modulations within the context of binary motion in analogy to that seen in high-inclination accreting X-ray binaries. If correct, this implies that NGC 5408 X-1 is in a binary with an orbital period of 243 +/- 23 days, in contrast to the 115.5 day quasi-sinusoidal period previously reported by Strohmayer (2009). We discuss the overall X-ray modulation within the framework of accretion via Roche-lobe overflow of the donor star. In addition, if the X-ray modulation is caused by vertically structured obscuring material in the accretion disk, this would imply a high value for the inclination of the orbit. A comparison with estimates from accreting X-ray binaries suggests an inclination > or approx.70deg. We note that, in principle, a precessing accretion disk could also produce the observed X-ray modulations.

An IAEA multi-technique X-ray spectrometry endstation at Elettra Sincrotrone Trieste: benchmarking results and interdisciplinary applications.

PubMed

Karydas, Andreas Germanos; Czyzycki, Mateusz; Leani, Juan José; Migliori, Alessandro; Osan, Janos; Bogovac, Mladen; Wrobel, Pawel; Vakula, Nikita; Padilla-Alvarez, Roman; Menk, Ralf Hendrik; Gol, Maryam Ghahremani; Antonelli, Matias; Tiwari, Manoj K; Caliri, Claudia; Vogel-Mikuš, Katarina; Darby, Iain; Kaiser, Ralf Bernd

2018-01-01

The International Atomic Energy Agency (IAEA) jointly with the Elettra Sincrotrone Trieste (EST) operates a multipurpose X-ray spectrometry endstation at the X-ray Fluorescence beamline (10.1L). The facility has been available to external users since the beginning of 2015 through the peer-review process of EST. Using this collaboration framework, the IAEA supports and promotes synchrotron-radiation-based research and training activities for various research groups from the IAEA Member States, especially those who have limited previous experience and resources to access a synchrotron radiation facility. This paper aims to provide a broad overview about various analytical capabilities, intrinsic features and performance figures of the IAEA X-ray spectrometry endstation through the measured results. The IAEA-EST endstation works with monochromatic X-rays in the energy range 3.7-14 keV for the Elettra storage ring operating at 2.0 or 2.4 GeV electron energy. It offers a combination of different advanced analytical probes, e.g. X-ray reflectivity, X-ray absorption fine-structure measurements, grazing-incidence X-ray fluorescence measurements, using different excitation and detection geometries, and thereby supports a comprehensive characterization for different kinds of nanostructured and bulk materials.

Deep Chandra observations of Pictor A

NASA Astrophysics Data System (ADS)

Hardcastle, M. J.; Lenc, E.; Birkinshaw, M.; Croston, J. H.; Goodger, J. L.; Marshall, H. L.; Perlman, E. S.; Siemiginowska, A.; Stawarz, Ł.; Worrall, D. M.

2016-02-01

We report on deep Chandra observations of the nearby broad-line radio galaxy Pictor A, which we combine with new Australia Telescope Compact Array (ATCA) observations. The new X-ray data have a factor of 4 more exposure than observations previously presented and span a 15 yr time baseline, allowing a detailed study of the spatial, temporal and spectral properties of the AGN, jet, hotspot and lobes. We present evidence for further time variation of the jet, though the flare that we reported in previous work remains the most significantly detected time-varying feature. We also confirm previous tentative evidence for a faint counterjet. Based on the radio through X-ray spectrum of the jet and its detailed spatial structure, and on the properties of the counterjet, we argue that inverse-Compton models can be conclusively rejected, and propose that the X-ray emission from the jet is synchrotron emission from particles accelerated in the boundary layer of a relativistic jet. For the first time, we find evidence that the bright western hotspot is also time-varying in X-rays, and we connect this to the small-scale structure in the hotspot seen in high-resolution radio observations. The new data allow us to confirm that the spectrum of the lobes is in good agreement with the predictions of an inverse-Compton model and we show that the data favour models in which the filaments seen in the radio images are predominantly the result of spatial variation of magnetic fields in the presence of a relatively uniform electron distribution.

Biological imaging by soft x-ray diffraction microscopy

DOE PAGES

Shapiro, D.; Thibault, P.; Beetz, T.; ...

2005-10-25

We have used the method of x-ray diffraction microscopy to image the complex-valued exit wave of an intact and unstained yeast cell. The images of the freeze-dried cell, obtained by using 750-eV x-rays from different angular orientations, portray several of the cell's major internal components to 30-nm resolution. The good agreement among the independently recovered structures demonstrates the accuracy of the imaging technique. To obtain the best possible reconstructions, we have implemented procedures for handling noisy and incomplete diffraction data, and we propose a method for determining the reconstructed resolution. This work represents a previously uncharacterized application of x-ray diffractionmore » microscopy to a specimen of this complexity and provides confidence in the feasibility of the ultimate goal of imaging biological specimens at 10-nm resolution in three dimensions.« less

The Chandra X-ray Observatory removed from its container in the Vertical Processing Facility

NASA Technical Reports Server (NTRS)

1999-01-01

Inside the Vertical Processing Facility (VPF), the overhead crane lifts Chandra X-ray Observatory completely out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe.

The Chandra X-ray Observatory removed from its container in the Vertical Processing Facility

NASA Technical Reports Server (NTRS)

1999-01-01

Inside the Vertical Processing Facility (VPF), workers begin lifting the Chandra X-ray Observatory out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe.

Influence of neutron irradiation on the microstructure of nuclear graphite: An X-ray diffraction study

NASA Astrophysics Data System (ADS)

Zhou, Z.; Bouwman, W. G.; Schut, H.; van Staveren, T. O.; Heijna, M. C. R.; Pappas, C.

2017-04-01

Neutron irradiation effects on the microstructure of nuclear graphite have been investigated by X-ray diffraction on virgin and low doses (∼ 1.3 and ∼ 2.2 dpa), high temperature (750° C) irradiated samples. The diffraction patterns were interpreted using a model, which takes into account the turbostratic disorder. Besides the lattice constants, the model introduces two distinct coherent lengths in the c-axis and the basal plane, that characterise the volumes from which X-rays are scattered coherently. The methodology used in this work allows to quantify the effect of irradiation damage on the microstructure of nuclear graphite seen by X-ray diffraction. The results show that the changes of the deduced structural parameters are in agreement with previous observations from electron microscopy, but not directly related to macroscopic changes.

KSC-99pp0772

NASA Image and Video Library

1999-06-27

In this fish-eye view, the Chandra X-ray Observatory rests inside the payload bay of the orbiter Columbia. Chandra is the primary payload on mission STS-93, scheduled to launch no earlier than July 20 aboard Space Shuttle Columbia. The world's most powerful X-ray telescope, Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

Evidence for Quasi-Periodic X-ray Dips from an ULX: Implications for the Binary Motion and the Orbital Inclination

NASA Technical Reports Server (NTRS)

Pasham, Dheeraj R.; Strohmayer, Tod E.

2012-01-01

We report results from long-term X-ray (0.3-8.0 keY) monitoring of the ultraluminous X-ray source NGC 5408 X-1 with the Swift/X-Ray Telescope. Our primary results are: (1) the discovery of quasi-periodic dips in the X-ray intensity that recur on average every 243 days, (2) the detection of an energy-dependent (variability amplitude decreases with increasing energy), quasi-sinusoidal X-ray modulation with a period of 112.6 +/- 4 days the amplitude of which decreases during the second half of the light curve and (3) energy spectral evidence for an increase in photoelectric absorption during the last continuous segment of the data, possibly due to a change in the ionization state of the circumbinary material. We interpret the X-ray modulations in the context of binary motion in analogy to that seen in high-inclination low-mass X-ray binaries. If correct, this implies that NGC 5408 X-1 is in a binary with an orbital period of 243 +/- 23 days in contrast to the 115.5 day quasi-sinusoidal period previously reported. In addition, if the X-ray modulation is caused by vertically structured obscuring material in the accretion disk (similar to the phenomenon of dipping LMXBs), this would imply a high value for the inclination of the orbit. A comparison with estimates from accreting X-ray binaries suggests an inclination approx > 60 deg. We note that, in principle, a precessing accretion disk could also produce the observed X-ray modulations.

Difference in the structures of alanine tri- and tetra-peptides with antiparallel β-sheet assessed by X-ray diffraction, solid-state NMR and chemical shift calculations by GIPAW.

PubMed

Asakura, Tetsuo; Yazawa, Koji; Horiguchi, Kumiko; Suzuki, Furitsu; Nishiyama, Yusuke; Nishimura, Katsuyuki; Kaji, Hironori

2014-01-01

Alanine oligomers provide a key structure for silk fibers from spider and wild silkworms.We report on structural analysis of L-alanyl-L-alanyl-L-alanyl-L-alanine (Ala)4 with anti-parallel (AP) β-structures using X-ray and solid-state NMR. All of the Ala residues in the (Ala)4 are in equivalent positions, whereas for alanine trimer (Ala)3 there are two alternative locations in a unit cell as reported previously (Fawcett and Camerman, Acta Cryst., 1975, 31, 658-665). (Ala)4 with AP β-structure is more stable than AP-(Ala)3 due to formation of the stronger hydrogen bonds. The intermolecular structure of (Ala)4 is also different from polyalanine fiber structure, indicating that the interchain arrangement of AP β-structure changes with increasing alanine sequencelength. Furthermore the precise (1)H positions, which are usually inaccesible by X-ray diffraction method, are determined by high resolution (1)H solid state NMR combined with the chemical shift calculations by the gauge-including projector augmented wave method. Copyright © 2013 Wiley Periodicals, Inc.

An x-ray study of massive star forming regions with CHANDRA

NASA Astrophysics Data System (ADS)

Wang, Junfeng

2007-08-01

Massive stars are characterized by powerful stellar winds, strong ultraviolet (UV) radiation, and consequently devastating supernovae explosions, which have a profound influence on their natal clouds and galaxy evolution. However, the formation and evolution of massive stars themselves and how their low-mass siblings are affected in the wind-swept and UV-radiation-dominated environment are not well understood. Much of the stellar populations inside of the massive star forming regions (MSFRs) are poorly studied in the optical and IR wavelengths because of observational challenges caused by large distance, high extinction, and heavy contamination from unrelated sources. Although it has long been recognized that X-rays open a new window to sample the young stellar populations residing in the MSFRs, the low angular resolution of previous generation X-ray telescopes has limited the outcome from such studies. The sensitive high spatial resolution X-ray observations enabled by the Chandra X- ray Observatory and the Advanced CCD Imaging Spectrometer (ACIS) have significantly improved our ability to study the X-ray-emitting populations in the MSFRs in the last few years. In this thesis, I analyzed seven high spatial resolution Chandra /ACIS images of two massive star forming complexes, namely the NGC 6357 region hosting the 1 Myr old Pismis 24 cluster (Chapter 3) and the Rosette Complex including the 2 Myr old NGC 2244 cluster immersed in the Rosette Nebula (Chapter 4), embedded clusters in the Rosette Molecular Cloud (RMC; Chapter 5), and a triggered cluster NGC 2237 (Chapter 6). The X-ray sampled stars were studied in great details. The unique power of X-ray selection of young stellar cluster members yielded new knowledge in the stellar populations, the cluster structures, and the star formation histories. The census of cluster members is greatly improved in each region. A large fraction of the X-ray detections have optical or near-infrared (NIR) stellar counterparts (from 2MASS, SIRIUS and FLAMINGOS JHK images), most of which are previously uncatalogued young cluster members. This provides a reliable probe of the rich intermediate-mass and low-mass young stellar populations accompanying the massive OB stars in each region. For example, In the poorly- studied NGC 6357 region, our study increased the number of known members from optical study by a factor of ~40. As a result, normal initial mass functions (IMFs) for NGC 6357 and NGC 2244 were found, inconsistent with the top-heavy IMFs suspected in previous optical studies. The observed X-ray luminosity functions (XLFs) in NGC 6357 and NGC 2244 are compared to the Orion Nebula Cluster XLF, yielding the first estimate of NGC 6357's total cluster population, a few times the known Orion population. For NGC 2244, a total population of ~2000 X-ray-emitting stars is derived, consistent with previous estimate from IR studies. The morphologies and spatial structures of the clusters are investigated with absorption-stratified stellar surface density maps. Small-scale substructures superposed on the spherical clusters are found in NGC 6357 and NGC 2244. Both of their radial stellar density profiles show a power-law cusp around the density peak surrounded by an isothermal sphere. In NGC 2244, the spatial distribution of X-ray stars is strongly concentrated around the central O5 star, HD 46150. The other O4 star HD 46223 has few companions. The X-ray sources in the RMC show three distinctive structures and substructures within them, which include previously known embedded IR clusters and a new unobscured cluster (RMC A). We do not find clear evidence of sequentially triggered formation. The concentration of X-ray identified young stars implies that [Special characters omitted.] 35% of stars could be in a distributed population throughout the RMC region and clustered star formation is the dominant mode in this cloud. The NGC 2237 cluster, similar to RMC A, may have formed from collapse of pre-existing massive molecular clumps accompanying the formation of the NGC 2244 cluster. The spatial distribution of the NIR counterparts to X-ray stars in the optical dark region northwest of NGC 2237 show little evidence of triggered star formation in the pillar objects. The observed inner disk fraction in the MSFRs as indicated by K-band excess appears lower than the IR-excess disk fractions found in the nearby low-mass star formation regions of similar age. An overall K -excess disk frequency of ~6% for X-ray selected stars in the intermediate- to high-mass range in the NGC 6357 region (Chapter 3), and ~10% for stars with mass M [Special characters omitted.] in NGC 2244 (Chapter 4) are derived, which indicates that the inner disks around higher-mass stars evolve more rapidly. The X-ray stars in these regions provide an important new sample for studies of intermediate-mass PMS stars that are not accreting, in addition to the accreting HAeBe stars. The low K -excess disk frequency for X-ray selected stars in the solar mass range in NGC 2244 is intriguing, which may be attributed to different sensitivities to disk materials, selection effects between X-ray samples and IR samples and/or faster disk dissipation due to photoevaporation in the MSFRs. X-ray properties of stars across the mass spectrum are presented. Diversities in the X-ray spectra of O stars are seen, both soft X-ray emission consistent with the microshocks in stellar winds and hard X-ray components signifying magnetically confined winds or close binarity. X-ray luminosities for a sample of stars earlier than B4 in NGC 6357, NGC 2244, and M 17 confirm the long- standing log( L x /L bol ) ~ -7 relation, although larger scatter is seen among the L x /L bol ratios of B-type stars. Low-mass PMS stars frequently show X-ray flaring, including intense flares with luminosities above L x >= 10 32 ergs s - 1 . Diffuse X-ray emission is present in the NGC 6357 region and in the NGC 2244 cluster. The derived luminosity of diffuse emission in NGC 6357 is consistent with the integrated emission from the unresolved PMS stars. The NGC 2244 diffuse emission is likely originated from the wind termination shocks, and hence is truly diffuse in nature. In summary, Chandra X-ray observations offer multifaceted approaches to study the young stellar clusters in MSFRs in depth. Future perspectives with the Spitzer Space Telescope mid-IR observations for a systematic measurement of disk frequencies in X-ray sampled massive clusters and X-ray observations of the earliest phases of massive star formation are discussed.

Non Destructive 3D X-Ray Imaging of Nano Structures & Composites at Sub-30 NM Resolution, With a Novel Lab Based X-Ray Microscope

DTIC Science & Technology

2006-11-01

NON DESTRUCTIVE 3D X-RAY IMAGING OF NANO STRUCTURES & COMPOSITES AT SUB-30 NM RESOLUTION, WITH A NOVEL LAB BASED X- RAY MICROSCOPE S H Lau...article we describe a 3D x-ray microscope based on a laboratory x-ray source operating at 2.7, 5.4 or 8.0 keV hard x-ray energies. X-ray computed...tomography (XCT) is used to obtain detailed 3D structural information inside optically opaque materials with sub-30 nm resolution. Applications include

PROPERTIES OF THE 24 DAY MODULATION IN GX 13+1 FROM NEAR-INFRARED AND X-RAY OBSERVATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Corbet, Robin H. D.; Pearlman, Aaron B.; Buxton, Michelle

2010-08-10

A 24 day period for the low-mass X-ray binary (LMXB) GX 13+1 was previously proposed on the basis of seven years of RXTE All-Sky Monitor (ASM) observations and it was suggested that this was the orbital period of the system. This would make it one of the longest known orbital periods for a Galactic LMXB powered by Roche lobe overflow. We present here the results of (1) K-band photometry obtained with the SMARTS Consortium CTIO 1.3 m telescope on 68 nights over a 10 month interval; (2) continued monitoring with the RXTE ASM, analyzed using a semi-weighted power spectrum insteadmore » of the data filtering technique previously used; and (3) Swift Burst Alert Telescope (BAT) hard X-ray observations. Modulation near 24 days is seen in both the K band and additional statistically independent ASM X-ray observations. However, the modulation in the ASM is not strictly periodic. The periodicity is also not detected in the Swift BAT observations, but modulation at the same relative level as seen with the ASM cannot be ruled out. If the 24 day period is the orbital period of system, this implies that the X-ray modulation is caused by structure that is not fixed in location. A possible mechanism for the X-ray modulation is the dipping behavior recently reported from XMM-Newton observations.« less

KSC-99pp0351

NASA Image and Video Library

1999-03-26

In the Vertical Processing Facility, TRW technicians look at the point of attachment on the Chandra X-ray Observatory, at left, for the solar panel array (behind them). They are getting ready to attach and deploy the solar panel. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

A wavelet analysis for the X-ray absorption spectra of molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Penfold, T. J.; Ecole polytechnique Federale de Lausanne, Laboratoire de chimie et biochimie computationnelles, ISIC, FSB-BCH, CH-1015 Lausanne; SwissFEL, Paul Scherrer Inst, CH-5232 Villigen

2013-01-07

We present a Wavelet transform analysis for the X-ray absorption spectra of molecules. In contrast to the traditionally used Fourier transform approach, this analysis yields a 2D correlation plot in both R- and k-space. As a consequence, it is possible to distinguish between different scattering pathways at the same distance from the absorbing atom and between the contributions of single and multiple scattering events, making an unambiguous assignment of the fine structure oscillations for complex systems possible. We apply this to two previously studied transition metal complexes, namely iron hexacyanide in both its ferric and ferrous form, and a rheniummore » diimine complex, [ReX(CO){sub 3}(bpy)], where X = Br, Cl, or ethyl pyridine (Etpy). Our results demonstrate the potential advantages of using this approach and they highlight the importance of multiple scattering, and specifically the focusing phenomenon to the extended X-ray absorption fine structure (EXAFS) spectra of these complexes. We also shed light on the low sensitivity of the EXAFS spectrum to the Re-X scattering pathway.« less

Low-temperature adsorption of H2S on Ni(001) studied by near-edge- and surface-extended-x-ray-absorption fine structure

NASA Astrophysics Data System (ADS)

McGrath, R.; MacDowell, A. A.; Hashizume, T.; Sette, F.; Citrin, P. H.

1989-11-01

The adsorption of H2S on Ni(001) has been studied with surface-extended x-ray-absorption fine structure and near-edge x-ray-absorption fine structure (NEXAFS) using the AT&T Bell Laboratories X15B beamline at the National Synchrotron Light Source. At 95 K and full saturation coverage, ~0.45 monolayer (ML) of S atoms in fourfold-hollow sites are produced, characteristic of room-temperature adsorption, accompanied by ~0.05 ML of oriented molecular H2S. Both these atomic and molecular chemisorbed species are buried under ~0.9 ML of disordered physisorbed H2S. No evidence for HS is found. Above 190 K the two molecular H2S phases desorb, leaving only dissociated S. These findings differ from previously reported interpretations of data obtained with high-resolution electron-energy-loss spectroscopy. They also exemplify the utility of NEXAFS for identifying and quantifying atomic and molecular surface species even when their difference involves only H and the two species coexist.

Heterogeneity in Short Gamma-Ray Bursts

NASA Technical Reports Server (NTRS)

Norris, Jay P.; Gehrels Neil; Scargle, Jeffrey D.

2011-01-01

We analyze the Swift/BAT sample of short gamma-ray bursts, using an objective Bayesian Block procedure to extract temporal descriptors of the bursts' initial pulse complexes (IPCs). The sample comprises 12 and 41 bursts with and without extended emission (EE) components, respectively. IPCs of non-EE bursts are dominated by single pulse structures, while EE bursts tend to have two or more pulse structures. The medians of characteristic timescales - durations, pulse structure widths, and peak intervals - for EE bursts are factors of approx 2-3 longer than for non-EE bursts. A trend previously reported by Hakkila and colleagues unifying long and short bursts - the anti-correlation of pulse intensity and width - continues in the two short burst groups, with non-EE bursts extending to more intense, narrower pulses. In addition we find that preceding and succeeding pulse intensities are anti-correlated with pulse interval. We also examine the short burst X-ray afterglows as observed by the Swift/XRT. The median flux of the initial XRT detections for EE bursts (approx 6 X 10(exp -10) erg / sq cm/ s) is approx > 20 x brighter than for non-EE bursts, and the median X-ray afterglow duration for EE bursts (approx 60,000 s) is approx 30 x longer than for non-EE bursts. The tendency for EE bursts toward longer prompt-emission timescales and higher initial X-ray afterglow fluxes implies larger energy injections powering the afterglows. The longer-lasting X-ray afterglows of EE bursts may suggest that a significant fraction explode into more dense environments than non-EE bursts, or that the sometimes-dominant EE component efficiently p()wers the afterglow. Combined, these results favor different progenitors for EE and non-EE short bursts.

Crystal Structure and Proteomics Analysis of Empty Virus-like Particles of Cowpea Mosaic Virus

PubMed Central

Huynh, Nhung T.; Hesketh, Emma L.; Saxena, Pooja; Meshcheriakova, Yulia; Ku, You-Chan; Hoang, Linh T.; Johnson, John E.; Ranson, Neil A.; Lomonossoff, George P.; Reddy, Vijay S.

2016-01-01

SUMMARY Empty virus-like particles (eVLPs) of Cowpea mosaic virus (CPMV) are currently being utilized as reagents in various biomedical and nanotechnology applications. Here, we report the crystal structure of CPMV eVLPs determined using X-ray crystallography at 2.3 Å resolution and compare it with previously reported cryo-electron microscopy (cryo-EM) of eVLPs and virion crystal structures. Although the X-ray and cryo-EM structures of eVLPs are mostly similar, there exist significant differences at the C terminus of the small (S) subunit. The intact C terminus of the S subunit plays a critical role in enabling the efficient assembly of CPMV virions and eVLPs, but undergoes proteolysis after particle formation. In addition, we report the results of mass spectrometry-based proteomics analysis of coat protein subunits from CPMV eVLPs and virions that identify the C termini of S subunits undergo proteolytic cleavages at multiple sites instead of a single cleavage site as previously observed. PMID:27021160

sts093-s-013

NASA Image and Video Library

1999-06-27

STS093-S-013 (27 June 1999) --- In this fish-eye view, the Chandra X-ray Observatory rests inside the payload bay of the Space Shuttle Columbia at the Kennedy Space Center (KSC). Chandra is the primary payload on the STS-93 mission, scheduled to launch next month. The world's most powerful X-ray telescope, Chandra, will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of the universe.

KSC-99pp0771

NASA Image and Video Library

1999-06-27

In this fish-eye view, a worker oversees the movement of the Chandra X-ray Observatory into the payload bay of the orbiter Columbia. Chandra is the primary payload on mission STS-93, scheduled to launch no earlier than July 20 aboard Space Shuttle Columbia. The world's most powerful X-ray telescope, Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

Determination of copper binding in Pseudomonas putida CZ1 by chemical modifications and X-ray absorption spectroscopy.

PubMed

Chen, XinCai; Shi, JiYan; Chen, YingXu; Xu, XiangHua; Chen, LiTao; Wang, Hui; Hu, TianDou

2007-03-01

Previously performed studies have shown that Pseudomonas putida CZ1 biomass can bind an appreciable amount of Cu(II) and Zn(II) ions from aqueous solutions. The mechanisms of Cu- and Zn-binding by P. putida CZ1 were ascertained by chemical modifications of the biomass followed by Fourier transform infrared and X-ray absorption spectroscopic analyses of the living or nonliving cells. A dramatic decrease in Cu(II)- and Zn(II)-binding resulted after acidic methanol esterification of the nonliving cells, indicating that carboxyl functional groups play an important role in the binding of metal to the biomaterial. X-ray absorption spectroscopy was used to determine the speciation of Cu ions bound by living and nonliving cells, as well as to elucidate which functional groups were involved in binding of the Cu ions. The X-ray absorption near-edge structure spectra analysis showed that the majority of the Cu was bound in both samples as Cu(II). The fitting results of Cu K-edge extended X-ray absorption fine structure spectra showed that N/O ligands dominated in living and nonliving cells. Therefore, by combining different techniques, our results indicate that carboxyl functional groups are the major ligands responsible for the metal binding in P. putida CZ1.

Precision mechanical structure of an ultra-high-resolution spectrometer for inelastic X-ray scattering instrument

DOEpatents

Shu, Deming; Shvydko, Yuri; Stoupin, Stanislav A.; Khachatryan, Ruben; Goetze, Kurt A.; Roberts, Timothy

2015-04-14

A method and an ultrahigh-resolution spectrometer including a precision mechanical structure for positioning inelastic X-ray scattering optics are provided. The spectrometer includes an X-ray monochromator and an X-ray analyzer, each including X-ray optics of a collimating (C) crystal, a pair of dispersing (D) element crystals, anomalous transmission filter (F) and a wavelength (W) selector crystal. A respective precision mechanical structure is provided with the X-ray monochromator and the X-ray analyzer. The precision mechanical structure includes a base plate, such as an aluminum base plate; positioning stages for D-crystal alignment; positioning stages with an incline sensor for C/F/W-crystal alignment, and the positioning stages including flexure-based high-stiffness structure.

X-Ray Structure determination of the Glycine Cleavage System Protein H of Mycobacterium tuberculosis Using An Inverse Compton Synchrotron X-Ray Source

PubMed Central

Abendroth, Jan; McCormick, Michael S.; Edwards, Thomas E.; Staker, Bart; Loewen, Roderick; Gifford, Martin; Rifkin, Jeff; Mayer, Chad; Guo, Wenjin; Zhang, Yang; Myler, Peter; Kelley, Angela; Analau, Erwin; Hewitt, Stephen Nakazawa; Napuli, Alberto J.; Kuhn, Peter; Ruth, Ronald D.; Stewart, Lance J.

2010-01-01

Structural genomics discovery projects require ready access to both X-ray and NMR instrumentation which support the collection of experimental data needed to solve large numbers of novel protein structures. The most productive X-ray crystal structure determination laboratories make extensive frequent use of tunable synchrotron X-ray light to solve novel structures by anomalous diffraction methods. This requires that frozen cryo-protected crystals be shipped to large government-run synchrotron facilities for data collection. In an effort to eliminate the need to ship crystals for data collection, we have developed the first laboratory-scale synchrotron light source capable of performing many of the state-of-the-art synchrotron applications in X-ray science. This Compact Light Source is a first-in-class device that uses inverse Compton scattering to generate X-rays of sufficient flux, tunable wavelength and beam size to allow high-resolution X-ray diffraction data collection from protein crystals. We report on benchmarking tests of X-ray diffraction data collection with hen egg white lysozyme, and the successful high-resolution X-ray structure determination of the Glycine cleavage system protein H from Mycobacterium tuberculosis using diffraction data collected with the Compact Light Source X-ray beam. PMID:20364333

The Chandra X-ray Observatory prepped for removal from its container in the Vertical Processing Faci

NASA Technical Reports Server (NTRS)

1999-01-01

Inside the Vertical Processing Facility (VPF), workers check the overhead cable that will lift the Chandra X-ray Observatory out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe.

The Chandra X-ray Observatory prepped for removal from its container in the Vertical Processing Faci

NASA Technical Reports Server (NTRS)

1999-01-01

Inside the Vertical Processing Facility (VPF), the Chandra X-ray Observatory (top) lies in its protective container while workers on the floor prepare the overhead cable that will remove it. In the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe.

The Chandra X-ray Observatory prepped for removal from its container in the Vertical Processing Faci

NASA Technical Reports Server (NTRS)

1999-01-01

Inside the Vertical Processing Facility (VPF), workers attach the overhead cable to the Chandra X-ray Observatory to lift it out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe.

Racemic crystallography of synthetic protein enantiomers used to determine the X-ray structure of plectasin by direct methods

PubMed Central

Mandal, Kalyaneswar; Pentelute, Brad L; Tereshko, Valentina; Thammavongsa, Vilasak; Schneewind, Olaf; Kossiakoff, Anthony A; Kent, Stephen B H

2009-01-01

We describe the use of racemic crystallography to determine the X-ray structure of the natural product plectasin, a potent antimicrobial protein recently isolated from fungus. The protein enantiomers l-plectasin and d-plectasin were prepared by total chemical synthesis; interestingly, l-plectasin showed the expected antimicrobial activity, while d-plectasin was devoid of such activity. The mirror image proteins were then used for racemic crystallization. Synchrotron X-ray diffraction data were collected to atomic resolution from a racemic plectasin crystal; the racemate crystallized in the achiral centrosymmetric space group with one l-plectasin molecule and one d-plectasin molecule forming the unit cell. Dimer-like intermolecular interactions between the protein enantiomers were observed, which may account for the observed extremely low solvent content (13%–15%) and more highly ordered nature of the racemic crystals. The structure of the plectasin molecule was well defined for all 40 amino acids and was generally similar to the previously determined NMR structure, suggesting minimal impact of the crystal packing on the plectasin conformation. PMID:19472324

Accessing protein conformational ensembles using room-temperature X-ray crystallography

PubMed Central

Fraser, James S.; van den Bedem, Henry; Samelson, Avi J.; Lang, P. Therese; Holton, James M.; Echols, Nathaniel; Alber, Tom

2011-01-01

Modern protein crystal structures are based nearly exclusively on X-ray data collected at cryogenic temperatures (generally 100 K). The cooling process is thought to introduce little bias in the functional interpretation of structural results, because cryogenic temperatures minimally perturb the overall protein backbone fold. In contrast, here we show that flash cooling biases previously hidden structural ensembles in protein crystals. By analyzing available data for 30 different proteins using new computational tools for electron-density sampling, model refinement, and molecular packing analysis, we found that crystal cryocooling remodels the conformational distributions of more than 35% of side chains and eliminates packing defects necessary for functional motions. In the signaling switch protein, H-Ras, an allosteric network consistent with fluctuations detected in solution by NMR was uncovered in the room-temperature, but not the cryogenic, electron-density maps. These results expose a bias in structural databases toward smaller, overpacked, and unrealistically unique models. Monitoring room-temperature conformational ensembles by X-ray crystallography can reveal motions crucial for catalysis, ligand binding, and allosteric regulation. PMID:21918110

Theoretical studies on the structural and spectra properties of two C74 fullerenes and the chlorinated species C74Cl10

NASA Astrophysics Data System (ADS)

Zheng, Mei; Song, Xitong; Li, Xiaoqi; Qi, Jiayuan

2018-07-01

The geometrical/electronic structures, X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure spectroscopy of two especially C74 fullerenes (D3h-C74 and C1-C74) and the chlorinated species C1-C74Cl10, which are newly isolated in the experiment, have been calculated by means of the density functional theory (DFT) method. Effective changes in the electronic structure and simulated X-ray spectra have been observed after chlorination. Strong isomer dependence has been found in both spectra, thus the 'fingerprints' in the spectra can be employed as a tool to identify the isomers. The ultraviolet-visible (UV-vis) absorption spectrum of C1-C74Cl10 has been performed by using the time-dependent DFT method. The generated UV-vis spectrum coincides with the previous experimental counterpart. The results of this work can provide useful information especially for isomer identification and further study on fullerenes by means of the aforementioned spectroscopy techniques.

High Velocity Gas in the Line of Sight to the Vela SNR

NASA Technical Reports Server (NTRS)

Nichols, Joy S.; Slavin, Jonathan D.

2004-01-01

One of the best objects for study of the structure, kinematics, and evolutionary status of a middle-aged supernova remnant (SNR) is the VELA SNR, due to its proximity, extensive optical filamentary structure, and an abundance of hot background stars for absorption line research. The VELA remnant is 7.3 degrees in diameter, based on x-ray imagery with ROSAT, with the pulsar nearly centered in the remnant. The western region of the remnant has much lower x-ray surface brightness than the remainder of the remnant and in fact escaped earlier detection with previous instrumentation. The remnant is believed to be about 11,000 years old.

X-ray archaeology in the Coma cluster

NASA Technical Reports Server (NTRS)

White, Simon D. M.; Briel, Ulrich G.; Henry, J. P.

1993-01-01

We present images of X-ray emission from hot gas within the Coma cluster of galaxies. These maps, made with the ROSAT satellite, have much higher SNR than any previous X-ray image of a galaxy cluster, and allow cluster structure to be analyzed in unprecedented detail. They show greater structural irregularity than might have been anticipated from earlier observations of Coma. Emission is detected from a number of bright cluster galaxies in addition to the two known previously. In four cases, there is evidence that these galaxies lie at the center of an extended subconcentration within the cluster, possibly the remnant of their associated groups. For at least two galaxies, the images show direct evidence for ongoing disruption of their gaseous atmosphere. The luminosity associated with these galaxies is comparable to that detected around similar ellipticals in much poorer environments. Emission is easily detected to the limit of our field, about 1 deg from the cluster center, and appears to become more regular at large radii. The data show clearly that this archetype of a rich and regular galaxy cluster was, in fact, formed by the merging of several distinct subunits which are not yet fully destroyed.

Synchrotron-based micro and nanotomographic investigations of soil aggregate microbial and pore structure

NASA Astrophysics Data System (ADS)

Kemner, K. M.; O'Brien, S.; Whiteside, M. D.; Sholto-Douglas, D.; Antipova, O.; Bailey, V.; Boyanov, M.; Dohnalkova, A.; Gursoy, D.; Kovarik, L.; Lai, B.; Roehrig, C.; Vogt, S.

2017-12-01

Soil is a highly complex network of pore spaces, minerals, and organic matter (e.g., roots, fungi, and bacteria), making it physically heterogeneous over nano- to macro-scales. Such complexity arises from feedbacks between physical processes and biological activity that generate a dynamic, self-organizing 3D complex. Since we first demonstrated the utility of synchrotron-based transmission tomography to image internal soil aggregate structure [Kemner et al., 1998], we and many other researchers have made use of and have advanced the application of this technique. However, our understanding of how microbes and microbial metabolism are distributed throughout soil aggregates is limited, because no technique is available to image the soil pore network and the life that inhabits it. X-ray transmission microtomography can provide highly detailed 3D renderings of soil structure but cannot distinguish cells from other electron-light material such as air or water. However, the use of CdSe quantum dots (QDs) as a reporter of bacterial presence enables us to overcome this constraint, instilling bacterial cells with enough contrast to detect them and their metabolic functions in their opaque soil habitat, with hard x-rays capable of penetrating 3D soil structures at high resolution. Previous transmission tomographic imaging of soil aggregates with high energy synchrotron x-rays has demonstrated 700 nm3 voxel spatial resolution. These and recent results from nanotomographic x-ray transmission imaging of soil aggregates with 30 nm3 voxel resolution will be presented. In addition, results of submicron voxel-sized x-ray fluorescence 3D imaging to determine microbial distributions within soil aggregates and the critical role to be played by the upgrade of the Advanced Photon Source for 100-1000X increases in hard x-ray brilliance will also be presented. *Kemner, et al., SPIE 3449, 45-53, 1998

Storm in a Teacup: X-Ray View of an Obscured Quasar and Superbubble

NASA Astrophysics Data System (ADS)

Lansbury, George B.; Jarvis, Miranda E.; Harrison, Chris M.; Alexander, David M.; Del Moro, Agnese; Edge, Alastair C.; Mullaney, James R.; Thomson, Alasdair P.

2018-03-01

We present the X-ray properties of the “Teacup AGN” (SDSS J1430+1339), a z = 0.085 type 2 quasar that is interacting dramatically with its host galaxy. Spectral modeling of the central quasar reveals a powerful, highly obscured active galactic nucleus (AGN) with a column density of N H = (4.2–6.5) × 1023 cm‑2 and an intrinsic luminosity of L 2–10 keV = (0.8–1.4) × 1044 erg s‑1. The current high bolometric luminosity inferred (L bol ≈1045–1046 erg s‑1) has ramifications for previous interpretations of the Teacup as a fading/dying quasar. High-resolution Chandra imaging data reveal a ≈10 kpc loop of X-ray emission, cospatial with the “eastern bubble” previously identified in luminous radio and ionized gas (e.g., [O III] line) emission. The X-ray emission from this structure is in good agreement with a shocked thermal gas, with T = (4–8) × 106 K, and there is evidence for an additional hot component with T ≳ 3 × 107 K. Although the Teacup is a radiatively dominated AGN, the estimated ratio between the bubble power and the X-ray luminosity is in remarkable agreement with observations of ellipticals, groups, and clusters of galaxies undergoing AGN feedback.

The XMM-Newton Extended Survey of the Taurus Molecular Cloud (XEST)

NASA Technical Reports Server (NTRS)

Guedel, M.; Briggs, K. R.; Arzner, K.; Audard, M.; Bouvier, J.; Feigelson, E. D.; Franciosini, E.; Glauser, A.; Grosso, N.; Micela, G.;

Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser

DOE PAGES

Hunter, Mark S.; Yoon, Chun Hong; DeMirci, Hasan; ...

2016-11-04

Structural information about biological macromolecules near the atomic scale provides important insight into the functions of these molecules. To date, X-ray crystallography has been the predominant method used for macromolecular structure determination. However, challenges exist when solving structures with X-rays, including the phase problem and radiation damage. X-ray-free electron lasers (X-ray FELs) have enabled collection of diffraction information before the onset of radiation damage, yet the majority of structures solved at X-ray FELs have been phased using external information via molecular replacement. De novo phasing at X-ray FELs has proven challenging due in part to per-pulse variations in intensity andmore » wavelength. Here we report the solution of a selenobiotinyl-streptavidin structure using phases obtained by the anomalous diffraction of selenium measured at a single wavelength (Se-SAD) at the Linac Coherent Light Source. Finally, our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.« less

Millimeter-Wave Spectroscopy, X-ray Crystal Structure, and Quantum Chemical Studies of Diketene: Resolving Ambiguities Concerning the Structure of the Ketene Dimer.

PubMed

Orr, Vanessa L; Esselman, Brian J; Dorman, P Matisha; Amberger, Brent K; Guzei, Ilia A; Woods, R Claude; McMahon, Robert J

2016-10-06

The pure rotational spectrum of diketene has been studied in the millimeter-wave region from ∼240 to 360 GHz. For the ground vibrational state and five vibrationally excited satellites (ν 24 , 2ν 24 , 3ν 24 , 4ν 24 , and ν 16 ), the observed spectrum allowed for the measurement, assignment, and least-squares fitting a total of more than 10 000 distinct rotational transitions. In each case, the transitions were fit to single-state, complete or near-complete sextic centrifugally distorted rotor models to near experimental error limits using Kisiel's ASFIT. Additionally, we obtained less satisfactory least-squares fits to single-state centrifugally distorted rotor models for three additional vibrational states: ν 24 + ν 16 , ν 23 , and 5ν 24 . The structure of diketene was optimized at the CCSD(T)/ANO1 level, and the vibration-rotation interaction (α i ) values for each normal mode were determined with a CCSD(T)/ANO1 VPT2 anharmonic frequency calculation. These α i values were helpful in identifying the previously unreported ν 16 and ν 23 fundamental states. We obtained a single-crystal X-ray structure of diketene at -173 °C. The bond distances are increased in precision by more than an order of magnitude compared to those in the 1958 X-ray crystal structure. The improved accuracy of the crystal structure geometry resolves the discrepancy between previous computational and experimental structures. The rotational transition frequencies provided herein should be useful for a millimeter-wave or terahertz search for diketene in the interstellar medium.

Tomographic image via background subtraction using an x-ray projection image and a priori computed tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang Jin; Yi Byongyong; Lasio, Giovanni

Kilovoltage x-ray projection images (kV images for brevity) are increasingly available in image guided radiotherapy (IGRT) for patient positioning. These images are two-dimensional (2D) projections of a three-dimensional (3D) object along the x-ray beam direction. Projecting a 3D object onto a plane may lead to ambiguities in the identification of anatomical structures and to poor contrast in kV images. Therefore, the use of kV images in IGRT is mainly limited to bony landmark alignments. This work proposes a novel subtraction technique that isolates a slice of interest (SOI) from a kV image with the assistance of a priori information frommore » a previous CT scan. The method separates structural information within a preselected SOI by suppressing contributions to the unprocessed projection from out-of-SOI-plane structures. Up to a five-fold increase in the contrast-to-noise ratios (CNRs) was observed in selected regions of the isolated SOI, when compared to the original unprocessed kV image. The tomographic image via background subtraction (TIBS) technique aims to provide a quick snapshot of the slice of interest with greatly enhanced image contrast over conventional kV x-ray projections for fast and accurate image guidance of radiation therapy. With further refinements, TIBS could, in principle, provide real-time tumor localization using gantry-mounted x-ray imaging systems without the need for implanted markers.« less

Cascaded analysis of signal and noise propagation through a heterogeneous breast model.

PubMed

Mainprize, James G; Yaffe, Martin J

2010-10-01

The detectability of lesions in radiographic images can be impaired by patterns caused by the surrounding anatomic structures. The presence of such patterns is often referred to as anatomic noise. Others have previously extended signal and noise propagation theory to include variable background structure as an additional noise term and used in simulations for analysis by human and ideal observers. Here, the analytic forms of the signal and noise transfer are derived to obtain an exact expression for any input random distribution and the "power law" filter used to generate the texture of the tissue distribution. A cascaded analysis of propagation through a heterogeneous model is derived for x-ray projection through simulated heterogeneous backgrounds. This is achieved by considering transmission through the breast as a correlated amplification point process. The analytic forms of the cascaded analysis were compared to monoenergetic Monte Carlo simulations of x-ray propagation through power law structured backgrounds. As expected, it was found that although the quantum noise power component scales linearly with the x-ray signal, the anatomic noise will scale with the square of the x-ray signal. There was a good agreement between results obtained using analytic expressions for the noise power and those from Monte Carlo simulations for different background textures, random input functions, and x-ray fluence. Analytic equations for the signal and noise properties of heterogeneous backgrounds were derived. These may be used in direct analysis or as a tool to validate simulations in evaluating detectability.

X-ray dense cellular inclusions in the cells of the green alga Chlamydomonas reinhardtii as seen by soft-x-ray microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stead, A.D.; Ford, T.W.; Page, A.M.

1997-04-01

Soft x-rays, having a greater ability to penetrate biological material than electrons, have the potential for producing images of intact, living cells. In addition, by using the so-called {open_quotes}water window{close_quotes} area of the soft x-ray spectrum, a degree of natural contrast is introduced into the image due to differential absorption of the wavelengths by compounds with a high carbon content compared to those with a greater oxygen content. The variation in carbon concentration throughout a cell therefore generates an image which is dependent upon the carbon density within the specimen. Using soft x-ray contact microscopy the authors have previously examinedmore » the green alga Chlamydomonas reinhardtii, and the most prominent feature of the cells are the numerous x-ray absorbing spheres, But they were not seen by conventional transmission electron microscopy. Similar structures have also been reported by the Goettingen group using their cryo transmission x-ray microscope at BESSY. Despite the fact that these spheres appear to occupy up to 20% or more of the cell volume when seen by x-ray microscopy, they are not visible by transmission electron microscopy. Given the difficulties and criticisms associated with soft x-ray contact microscopy, the present study was aimed at confirming the existence of these cellular inclusions and learning more of their possible chemical composition.« less

Electronic and atomic structures of Ti{sub 1-x}Al{sub x}N thin films related to their damage behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tuilier, M.-H.; Pac, M.-J.; Girleanu, M.

2008-04-15

Ti and Al K-edge x-ray absorption spectroscopy is used to investigate the electronic structure of Ti{sub 1-x}Al{sub x}N thin films deposited by reactive magnetron sputtering. The experimental near edge spectra of TiN and AlN are interpreted in the light of unoccupied density of state band structure calculations. The comparison of the structural parameters derived from x-ray absorption fine structure and x-ray diffraction reveals segregation between Al-rich and Ti-rich domains within the Ti{sub 1-x}Al{sub x}N films. Whereas x-ray diffraction probes only the crystallized domains, the structural information derived from extended x-ray absorption fine structure analysis turns on both crystalline and grainmore » boundaries. The results are discussed by considering the damage behavior of the films depending on the composition.« less

Probing multi-scale mechanical damage in connective tissues using X-ray diffraction.

PubMed

Bianchi, Fabio; Hofmann, Felix; Smith, Andrew J; Thompson, Mark S

2016-11-01

The accumulation of microstructural collagen damage following repetitive loading is linked to painful and debilitating tendon injuries. As a hierarchical, semi-crystalline material, collagen mechanics can be studied using X-ray diffraction. The aim of the study was to describe multi-structural changes in tendon collagen following controlled plastic damage (5% permanent strain). We used small angle X-ray scattering (SAXS) to interrogate the spacing of collagen molecules within a fibril, and wide angle X-ray scattering (WAXS) to measure molecular strains under macroscopic loading. Simultaneous recordings of SAXS and WAXS patterns, together with whole-tissue strain in physiologically hydrated rat-tail tendons were made during increments of in situ tensile loading. Results showed that while tissue level modulus was unchanged, fibril modulus decreased significantly, and molecular modulus significantly increased. Further, analysis of higher order SAXS peaks suggested structural changes in the gap and overlap regions, possibly localising the damage to molecular cross-links. Our results provide new insight into the fundamental damage processes at work in collagenous tissues and point to new directions for their mitigation and repair. This article reports the first in situ loading synchrotron studies on mechanical damage in collagenous tissues. We provide new insight into the nano- and micro-structural mechanisms of damage processes. Pre-damaged tendons showed differential alteration of moduli at macro, micro and nano-scales as measured using X-ray scattering techniques. Detailed analysis of higher order diffraction peaks suggested damage is localised to molecular cross-links. The results are consistent with previous X-ray scattering studies of tendons and also with recent thermal stability studies on damaged material. Detailed understanding of damage mechanisms is essential in the development of new therapies promoting tissue repair. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Fine Structure of Diffuse Scattering Rings in Al-Li-Cu Quasicrystal: A Comparative X-ray and Electron Diffraction Study

NASA Astrophysics Data System (ADS)

Donnadieu, P.; Dénoyer, F.

1996-11-01

A comparative X-ray and electron diffraction study has been performed on Al-Li-Cu icosahedral quasicrystal in order to investigate the diffuse scattering rings revealed by a previous work. Electron diffraction confirms the existence of rings but shows that the rings have a fine structure. The diffuse aspect on the X-ray diffraction patterns is then due to an averaging effect. Recent simulations based on the model of canonical cells related to the icosahedral packing give diffractions patterns in agreement with this fine structure effect. Nous comparons les diagrammes de diffraction des rayon-X et des électrons obtenus sur les mêmes échantillons du quasicristal icosaèdrique Al-Li-Cu. Notre but est d'étudier les anneaux de diffusion diffuse mis en évidence par un travail précédent. Les diagrammes de diffraction électronique confirment la présence des anneaux mais ils montrent aussi que ces anneaux possèdent une structure fine. L'aspect diffus des anneaux révélés par la diffraction des rayons X est dû à un effet de moyenne. Des simulations récentes basées sur la décomposition en cellules canoniques de l'empilement icosaédrique produisent des diagrammes de diffraction en accord avec ces effects de structure fine.

Investigation of internal structure of fine granules by microtomography using synchrotron X-ray radiation.

PubMed

Noguchi, Shuji; Kajihara, Ryusuke; Iwao, Yasunori; Fujinami, Yukari; Suzuki, Yoshio; Terada, Yasuko; Uesugi, Kentaro; Miura, Keiko; Itai, Shigeru

2013-03-10

Computed tomography (CT) using synchrotron X-ray radiation was evaluated as a non-destructive structural analysis method for fine granules. Two kinds of granules have been investigated: a bromhexine hydrochloride (BHX)-layered Celphere CP-102 granule coated with pH-sensitive polymer Kollicoat Smartseal 30-D, and a wax-matrix granule constructed from acetaminophen (APAP), dibasic calcium phosphate dehydrate, and aminoalkyl methacrylate copolymer E (AMCE) manufactured by melt granulation. The diameters of both granules were 200-300 μm. CT analysis of CP-102 granule could visualize the laminar structures of BHX and Kollicoat layers, and also visualize the high talc-content regions in the Kollicoat layer that could not be detected by scanning electron microscopy. Moreover, CT analysis using X-ray energies above the absorption edge of Br specifically enhanced the contrast in the BHX layer. As for granules manufactured by melt granulation, CT analysis revealed that they had a small inner void space due to a uniform distribution of APAP and other excipients. The distribution of AMCE revealed by CT analysis was also found to involve in the differences of drug dissolution from the granules as described previously. These observations demonstrate that CT analysis using synchrotron X-ray radiation is a powerful method for the detailed internal structure analysis of fine granules. Copyright © 2013 Elsevier B.V. All rights reserved.

A WEAK LENSING STUDY OF X-RAY GROUPS IN THE COSMOS SURVEY: FORM AND EVOLUTION OF THE MASS-LUMINOSITY RELATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leauthaud, Alexie; Finoguenov, Alexis; Cappelluti, Nico

2010-01-20

Measurements of X-ray scaling laws are critical for improving cosmological constraints derived with the halo mass function and for understanding the physical processes that govern the heating and cooling of the intracluster medium. In this paper, we use a sample of 206 X-ray-selected galaxy groups to investigate the scaling relation between X-ray luminosity (L{sub X}) and halo mass (M{sub 200}) where M{sub 200} is derived via stacked weak gravitational lensing. This work draws upon a broad array of multi-wavelength COSMOS observations including 1.64 degrees{sup 2} of contiguous imaging with the Advanced Camera for Surveys to a limiting magnitude of I{submore » F814W} = 26.5 and deep XMM-Newton/Chandra imaging to a limiting flux of 1.0 x 10{sup -15} erg cm{sup -2} s{sup -1} in the 0.5-2 keV band. The combined depth of these two data sets allows us to probe the lensing signals of X-ray-detected structures at both higher redshifts and lower masses than previously explored. Weak lensing profiles and halo masses are derived for nine sub-samples, narrowly binned in luminosity and redshift. The COSMOS data alone are well fit by a power law, M{sub 200} propor to (L{sub X}){sup a}lpha, with a slope of alpha = 0.66 +- 0.14. These results significantly extend the dynamic range for which the halo masses of X-ray-selected structures have been measured with weak gravitational lensing. As a result, tight constraints are obtained for the slope of the M-L{sub X} relation. The combination of our group data with previously published cluster data demonstrates that the M-L{sub X} relation is well described by a single power law, alpha = 0.64 +- 0.03, over two decades in mass, M{sub 200} approx 10{sup 13.5}-10{sup 15.5} h {sup -1}{sub 72} M{sub sun}. These results are inconsistent at the 3.7sigma level with the self-similar prediction of alpha = 0.75. We examine the redshift dependence of the M-L{sub X} relation and find little evidence for evolution beyond the rate predicted by self-similarity from z approx 0.25 to z approx 0.8.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hunter, Mark S.; Yoon, Chun Hong; DeMirci, Hasan

Structural information about biological macromolecules near the atomic scale provides important insight into the functions of these molecules. To date, X-ray crystallography has been the predominant method used for macromolecular structure determination. However, challenges exist when solving structures with X-rays, including the phase problem and radiation damage. X-ray-free electron lasers (X-ray FELs) have enabled collection of diffraction information before the onset of radiation damage, yet the majority of structures solved at X-ray FELs have been phased using external information via molecular replacement. De novo phasing at X-ray FELs has proven challenging due in part to per-pulse variations in intensity andmore » wavelength. Here we report the solution of a selenobiotinyl-streptavidin structure using phases obtained by the anomalous diffraction of selenium measured at a single wavelength (Se-SAD) at the Linac Coherent Light Source. Finally, our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.« less

KSC-99pc0191

NASA Image and Video Library

1999-02-10

In the Vertical Processing Facility (VPF), workers prepare the shrouded Chandra X-ray Observatory for its lift to a vertical position. The telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0195

NASA Image and Video Library

1999-02-10

In the Vertical Processing Facility (VPF), the shrouded Chandra X-ray Observatory achieves a vertical position via the overhead crane. The telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

Heterogeneity in Short Gamma-Ray Bursts

NASA Astrophysics Data System (ADS)

Norris, Jay P.; Gehrels, Neil; Scargle, Jeffrey D.

2011-07-01

We analyze the Swift/BAT sample of short gamma-ray bursts, using an objective Bayesian Block procedure to extract temporal descriptors of the bursts' initial pulse complexes (IPCs). The sample is comprised of 12 and 41 bursts with and without extended emission (EE) components, respectively. IPCs of non-EE bursts are dominated by single pulse structures, while EE bursts tend to have two or more pulse structures. The medians of characteristic timescales—durations, pulse structure widths, and peak intervals—for EE bursts are factors of ~2-3 longer than for non-EE bursts. A trend previously reported by Hakkila and colleagues unifying long and short bursts—the anti-correlation of pulse intensity and width—continues in the two short burst groups, with non-EE bursts extending to more intense, narrower pulses. In addition, we find that preceding and succeeding pulse intensities are anti-correlated with pulse interval. We also examine the short burst X-ray afterglows as observed by the Swift/X-Ray Telescope (XRT). The median flux of the initial XRT detections for EE bursts (~6×10-10 erg cm-2 s-1) is gsim20× brighter than for non-EE bursts, and the median X-ray afterglow duration for EE bursts (~60,000 s) is ~30× longer than for non-EE bursts. The tendency for EE bursts toward longer prompt-emission timescales and higher initial X-ray afterglow fluxes implies larger energy injections powering the afterglows. The longer-lasting X-ray afterglows of EE bursts may suggest that a significant fraction explode into denser environments than non-EE bursts, or that the sometimes-dominant EE component efficiently powers the afterglow. Combined, these results favor different progenitors for EE and non-EE short bursts.

A Multivariate Analysis of Galaxy Cluster Properties

NASA Astrophysics Data System (ADS)

Ogle, P. M.; Djorgovski, S.

1993-05-01

We have assembled from the literature a data base on on 394 clusters of galaxies, with up to 16 parameters per cluster. They include optical and x-ray luminosities, x-ray temperatures, galaxy velocity dispersions, central galaxy and particle densities, optical and x-ray core radii and ellipticities, etc. In addition, derived quantities, such as the mass-to-light ratios and x-ray gas masses are included. Doubtful measurements have been identified, and deleted from the data base. Our goal is to explore the correlations between these parameters, and interpret them in the framework of our understanding of evolution of clusters and large-scale structure, such as the Gott-Rees scaling hierarchy. Among the simple, monovariate correlations we found, the most significant include those between the optical and x-ray luminosities, x-ray temperatures, cluster velocity dispersions, and central galaxy densities, in various mutual combinations. While some of these correlations have been discussed previously in the literature, generally smaller samples of objects have been used. We will also present the results of a multivariate statistical analysis of the data, including a principal component analysis (PCA). Such an approach has not been used previously for studies of cluster properties, even though it is much more powerful and complete than the simple monovariate techniques which are commonly employed. The observed correlations may lead to powerful constraints for theoretical models of formation and evolution of galaxy clusters. P.M.O. was supported by a Caltech graduate fellowship. S.D. acknowledges a partial support from the NASA contract NAS5-31348 and the NSF PYI award AST-9157412.

NuSTAR results from the Galactic Center - diffuse emission

NASA Astrophysics Data System (ADS)

Hailey, Charles

2016-03-01

The Nuclear Spectroscopic Telescope Array (NuSTAR) was launched in June 2012. It carried the first true, hard X-ray (>~10 keV-79 keV) focusing telescopes into orbit. Its twin telescopes provide 10 times better angular resolution and 100 times better sensitivity than previously obtainable in the hard X-ray band. Consequently NuSTAR is able to resolve faint diffuse structures whose hard X-rays offer insight into some of the most energetic processes in the Galactic Center. One of the surprising discoveries that NuSTAR made in the Galactic Center is the central hard X-ray emission (CHXE). The CHXE is a diffuse emission detected from ~10 keV to beyond 50 keV in X-ray energy, and extending spatially over a region ~8 parsecs x ~4 parsecs in and out of the plane of the galaxy respectively, and centered on the supermassive black hole Sgr A*. The CHXE was speculated to be due to a large population of unresolved black hole X-ray binaries, millisecond pulsars (MSP), a class of highly magnetized white dwarf binaries called intermediate polars, or to particle outflows from Sgr A*. The presence of an unexpectedly large population of MSP in the Galactic Center would be particularly interesting, since MSP emitting at higher energies and over a much larger region have been posited to be the origin of the gamma-ray emission that is also ascribed to dark matter annihilation in the galaxy. In addition, the connection of the CHXE to the ~9000 unidentified X-ray sources in the central the the ~100 pc detected by the Chandra Observatory, to the soft X-ray emission detected by the Chandra and XMM/Newton observatories in the Galactic Center, and to the hard X-ray emission detected by both the RXTE and INTEGRAL observatories in the Galactic Ridge, is unclear. I review these results and present recent NuSTAR observations that potentially resolve the origin of the CHXE and point to a unified origin for all these X-ray emissions. Two other noteworthy classes of diffuse structures in the Galactic Center will be discussed. The first class are the giant molecular clouds, which are strong hard X-ray emitters. These hard X-rays are believed to be produced when one or more giant outbursts from the supermassive black hole Sgr A*, more than a century ago, resulted in hard X-rays being reflected from the clouds, and detected only today. I discuss how these hard X-rays are used to elucidate the past history of the supermassive black hole, and to compare and contrast these past giant outbursts with those observed from the supermassive black hole more recently. The second class are non-thermal filaments, magnetized structures with both radio and soft X-ray emission that have now been shown by NuSTAR to be hard X-ray emitters. The electrons generating the hard X-rays observed in one of these filaments are the most energetic that have been observed in the galaxy. The filaments are a heterogeneous class of hard X-ray emitters, and the various mechanisms by which they produce hard X-ray emission will be discussed. Future NuSTAR observations of the Galactic Center with NuSTAR will also be discussed.

Probing the dynamical and X-ray mass proxies of the cluster of galaxies Abell S1101

NASA Astrophysics Data System (ADS)

Rabitz, Andreas; Zhang, Yu-Ying; Schwope, Axel; Verdugo, Miguel; Reiprich, Thomas H.; Klein, Matthias

2017-01-01

Context. The galaxy cluster Abell S1101 (S1101 hereafter) deviates significantly from the X-ray luminosity versus velocity dispersion relation (L-σ) of galaxy clusters in our previous study. Given reliable X-ray luminosity measurement combining XMM-Newton and ROSAT, this could most likely be caused by the bias in the velocity dispersion due to interlopers and low member statistic in the previous sample of member galaxies, which was solely based on 20 galaxy redshifts drawn from the literature. Aims: We intend to increase the galaxy member statistics to perform precision measurements of the velocity dispersion and dynamical mass of S1101. We aim for a detailed substructure and dynamical state characterization of this cluster, and a comparison of mass estimates derived from (I) the velocity dispersion (Mvir), (II) the caustic mass computation (Mcaustic), and (III) mass proxies from X-ray observations and the Sunyaev-Zel'dovich (SZ) effect. Methods: We carried out new optical spectroscopic observations of the galaxies in this cluster field with VIMOS, obtaining a sample of 60 member galaxies for S1101. We revised the cluster redshift and velocity dispersion measurements based on this sample and also applied the Dressler-Shectman substructure test. Results: The completeness of cluster members within r200 was significantly improved for this cluster. Tests for dynamical substructure do not show evidence of major disturbances or merging activities in S1101. We find good agreement between the dynamical cluster mass measurements and X-ray mass estimates, which confirms the relaxed state of the cluster displayed in the 2D substructure test. The SZ mass proxy is slightly higher than the other estimates. The updated measurement of σ erased the deviation of S1101 in the L-σ relation. We also noticed a background structure in the cluster field of S1101. This structure is a galaxy group that is very close to the cluster S1101 in projection but at almost twice its redshift. However the mass of this structure is too low to significantly bias the observed bolometric X-ray luminosity of S1101. Hence, we can conclude that the deviation of S1101 in the L-σ relation in our previous study can be explained by low member statistics and galaxy interlopers, which are known to introduce biases in the estimated velocity dispersion. We have made use of VLT/VIMOS observations taken with the ESO Telescope at the Paranal Observatory under programme 087.A-0096.

LAMBDA 2M GaAs—A multi-megapixel hard X-ray detector for synchrotrons

NASA Astrophysics Data System (ADS)

Pennicard, D.; Smoljanin, S.; Pithan, F.; Sarajlic, M.; Rothkirch, A.; Yu, Y.; Liermann, H. P.; Morgenroth, W.; Winkler, B.; Jenei, Z.; Stawitz, H.; Becker, J.; Graafsma, H.

2018-01-01

Synchrotrons can provide very intense and focused X-ray beams, which can be used to study the structure of matter down to the atomic scale. In many experiments, the quality of the results depends strongly on detector performance; in particular, experiments studying dynamics of samples require fast, sensitive X-ray detectors. "LAMBDA" is a photon-counting hybrid pixel detector system for experiments at synchrotrons, based on the Medipix3 readout chip. Its main features are a combination of comparatively small pixel size (55 μm), high readout speed at up to 2000 frames per second with no time gap between images, a large tileable module design, and compatibility with high-Z sensors for efficient detection of higher X-ray energies. A large LAMBDA system for hard X-ray detection has been built using Cr-compensated GaAs as a sensor material. The system is composed of 6 GaAs tiles, each of 768 by 512 pixels, giving a system with approximately 2 megapixels and an area of 8.5 by 8.5 cm2. While the sensor uniformity of GaAs is not as high as that of silicon, its behaviour is stable over time, and it is possible to correct nonuniformities effectively by postprocessing of images. By using multiple 10 Gigabit Ethernet data links, the system can be read out at the full speed of 2000 frames per second. The system has been used in hard X-ray diffraction experiments studying the structure of samples under extreme pressure in diamond anvil cells. These experiments can provide insight into geological processes. Thanks to the combination of high speed readout, large area and high sensitivity to hard X-rays, it is possible to obtain previously unattainable information in these experiments about atomic-scale structure on a millisecond timescale during rapid changes of pressure or temperature.

Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures

PubMed Central

Prescher, Clemens; Prakapenka, Vitali B.; Stefanski, Johannes; Jahn, Sandro; Skinner, Lawrie B.; Wang, Yanbin

2017-01-01

We investigated the structure of SiO2 glass up to 172 GPa using high-energy X-ray diffraction. The combination of a multichannel collimator with diamond anvil cells enabled the measurement of structural changes in silica glass with total X-ray diffraction to previously unachievable pressures. We show that SiO2 first undergoes a change in Si–O coordination number from fourfold to sixfold between 15 and 50 GPa, in agreement with previous investigations. Above 50 GPa, the estimated coordination number continuously increases from 6 to 6.8 at 172 GPa. Si–O bond length shows first an increase due to the fourfold to sixfold coordination change and then a smaller linear decrease up to 172 GPa. We reconcile the changes in relation to the oxygen-packing fraction, showing that oxygen packing decreases at ultrahigh pressures to accommodate the higher than sixfold Si–O coordination. These results give experimental insight into the structural changes of silicate glasses as analogue materials for silicate melts at ultrahigh pressures. PMID:28874582

Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures.

PubMed

Prescher, Clemens; Prakapenka, Vitali B; Stefanski, Johannes; Jahn, Sandro; Skinner, Lawrie B; Wang, Yanbin

2017-09-19

We investigated the structure of SiO 2 glass up to 172 GPa using high-energy X-ray diffraction. The combination of a multichannel collimator with diamond anvil cells enabled the measurement of structural changes in silica glass with total X-ray diffraction to previously unachievable pressures. We show that SiO 2 first undergoes a change in Si-O coordination number from fourfold to sixfold between 15 and 50 GPa, in agreement with previous investigations. Above 50 GPa, the estimated coordination number continuously increases from 6 to 6.8 at 172 GPa. Si-O bond length shows first an increase due to the fourfold to sixfold coordination change and then a smaller linear decrease up to 172 GPa. We reconcile the changes in relation to the oxygen-packing fraction, showing that oxygen packing decreases at ultrahigh pressures to accommodate the higher than sixfold Si-O coordination. These results give experimental insight into the structural changes of silicate glasses as analogue materials for silicate melts at ultrahigh pressures.

Structural and dynamical studies of acid-mediated conversion in amorphous-calcium-phosphate based dental composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fan; Allen, Andrew J.; Levine, Lyle E.

Our objective was to investigate the complex structural and dynamical conversion process of the amorphous-calcium-phosphate (ACP)-to-apatite transition in ACP based dental composite materials. Composite disks were prepared using zirconia hybridized ACP fillers (0.4 mass fraction) and photo-activated Bis-GMA/TEGDMA resin (0.6 mass fraction). We performed an investigation of the solution-mediated ACP-to-apatite conversion mechanism in controlled acidic aqueous environment with in situ ultra-small angle X-ray scattering based coherent X-ray photon correlation spectroscopy and ex situ X-ray diffraction, as well as other complementary techniques. We established that the ACP-to-apatite conversion in ACP composites is a two-step process, owing to the sensitivity to localmore » structural changes provided by coherent X-rays. Initially, ACP undergoes a local microstructural rearrangement without losing its amorphous character. We established the catalytic role of the acid and found the time scale of this rearrangement strongly depends on the pH of the solution, which agrees with previous findings about ACP without the polymer matrix being present. In the second step, ACP is converted to an apatitic form with the crystallinity of the formed crystallites being poor. Separately, we also confirmed that in the regular Zr-modified ACP the rate of ACP conversion to hydroxyapatite is slowed significantly compared to unmodified ACP, which is beneficial for targeted slow release of functional calcium and phosphate ions from dental composite materials. Significantly, for the first time, we were able to follow the complete solution-mediated transition process from ACP to apatite in this class of dental composites in a controlled aqueous environment. A two-step process, suggested previously, was conclusively identified.« less

Structural and dynamical studies of acid-mediated conversion in amorphous-calcium-phosphate based dental composites

DOE PAGES

Zhang, Fan; Allen, Andrew J.; Levine, Lyle E.; ...

2014-07-28

Our objective was to investigate the complex structural and dynamical conversion process of the amorphous-calcium-phosphate (ACP)-to-apatite transition in ACP based dental composite materials. Composite disks were prepared using zirconia hybridized ACP fillers (0.4 mass fraction) and photo-activated Bis-GMA/TEGDMA resin (0.6 mass fraction). We performed an investigation of the solution-mediated ACP-to-apatite conversion mechanism in controlled acidic aqueous environment with in situ ultra-small angle X-ray scattering based coherent X-ray photon correlation spectroscopy and ex situ X-ray diffraction, as well as other complementary techniques. We established that the ACP-to-apatite conversion in ACP composites is a two-step process, owing to the sensitivity to localmore » structural changes provided by coherent X-rays. Initially, ACP undergoes a local microstructural rearrangement without losing its amorphous character. We established the catalytic role of the acid and found the time scale of this rearrangement strongly depends on the pH of the solution, which agrees with previous findings about ACP without the polymer matrix being present. In the second step, ACP is converted to an apatitic form with the crystallinity of the formed crystallites being poor. Separately, we also confirmed that in the regular Zr-modified ACP the rate of ACP conversion to hydroxyapatite is slowed significantly compared to unmodified ACP, which is beneficial for targeted slow release of functional calcium and phosphate ions from dental composite materials. Significantly, for the first time, we were able to follow the complete solution-mediated transition process from ACP to apatite in this class of dental composites in a controlled aqueous environment. A two-step process, suggested previously, was conclusively identified.« less

Structural and dynamical studies of acid-mediated conversion in amorphous-calcium-phosphate based dental composites

PubMed Central

Zhang, Fan; Allen, Andrew J.; Levine, Lyle E.; Vaudin, Mark D.; Skrtic, Drago; Antonucci, Joseph M.; Hoffman, Kathleen M.; Giuseppetti, Anthony A.; Ilavsky, Jan

2014-01-01

Objective To investigate the complex structural and dynamical conversion process of the amorphous-calcium-phosphate (ACP) -to-apatite transition in ACP based dental composite materials. Methods Composite disks were prepared using zirconia hybridized ACP fillers (0.4 mass fraction) and photo-activated Bis-GMA/TEGDMA resin (0.6 mass fraction). We performed an investigation of the solution-mediated ACP-to-apatite conversion mechanism in controlled acidic aqueous environment with in situ ultra-small angle X-ray scattering based coherent X-ray photon correlation spectroscopy and ex situ X-ray diffraction, as well as other complementary techniques. Results We established that the ACP-to-apatite conversion in ACP composites is a two-step process, owing to the sensitivity to local structural changes provided by coherent X-rays. Initially, ACP undergoes a local microstructural rearrangement without losing its amorphous character. We established the catalytic role of the acid and found the time scale of this rearrangement strongly depends on the pH of the solution, which agrees with previous findings about ACP without the polymer matrix being present. In the second step, ACP is converted to an apatitic form with the crystallinity of the formed crystallites being poor. Separately, we also confirmed that in the regular Zr-modified ACP the rate of ACP conversion to hydroxyapatite is slowed significantly compared to unmodified ACP, which is beneficial for targeted slow release of functional calcium and phosphate ions from dental composite materials. Significance For the first time, we were able to follow the complete solution-mediated transition process from ACP to apatite in this class of dental composites in a controlled aqueous environment. A two-step process, suggested previously, was conclusively identified. PMID:25082155

X-ray-induced catalytic active-site reduction of a multicopper oxidase: structural insights into the proton-relay mechanism and O 2 -reduction states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serrano-Posada, Hugo; Centeno-Leija, Sara; Rojas-Trejo, Sonia Patricia

2015-11-26

During X-ray data collection from a multicopper oxidase (MCO) crystal, electrons and protons are mainly released into the system by the radiolysis of water molecules, leading to the X-ray-induced reduction of O 2 to 2H 2O at the trinuclear copper cluster (TNC) of the enzyme. In this work, 12 crystallographic structures of Thermus thermophilus HB27 multicopper oxidase (Tth-MCO) in holo, apo and Hg-bound forms and with different X-ray absorbed doses have been determined. In holo Tth -MCO structures with four Cu atoms, the proton-donor residue Glu451 involved in O 2 reduction was found in a double conformation: Glu451a (~7 Åmore » from the TNC) and Glu451b (~4.5 Å from the TNC). A positive peak of electron density above 3.5σ in anF o-F c map for Glu451a O ε2 indicates the presence of a carboxyl functional group at the side chain, while its significant absence in Glu451b strongly suggests a carboxylate functional group. In contrast, for apo Tth -MCO and in Hg-bound structures neither the positive peak nor double conformations were observed. Together, these observations provide the first structural evidence for a proton-relay mechanism in the MCO family and also support previous studies indicating that Asp106 does not provide protons for this mechanism. In addition, eight composite structures (Tth -MCO-C1–8) with different X-ray-absorbed doses allowed the observation of different O 2-reduction states, and a total depletion of T2Cu at doses higher than 0.2 MGy showed the high susceptibility of this Cu atom to radiation damage, highlighting the importance of taking radiation effects into account in biochemical interpretations of an MCO structure.« less

Structure and magnetism in Co/X, Fe/Si, and Fe/(FeSi) multilayers

NASA Astrophysics Data System (ADS)

Franklin, Michael Ray

Previous studies have shown that magnetic behavior in multilayers formed by repeating a bilayer unit comprised of a ferromagnetic layer and a non-magnetic spacer layer can be affected by small structural differences. For example, a macroscopic property such as giant magnetoresistance (GMR) is believed to depend significantly upon interfacial roughness. In this study, several complimentary structural probes were used to carefully characterize the structure of several sputtered multilayer systems-Co/Ag, Co/Cu, Co/Mo, Fe/Si, and Fe//[FeSi/]. X-ray diffraction (XRD) studies were used to examine the long-range structural order of the multilayers perpendicular to the plane of the layers. Transmission electron diffraction (TED) studies were used to probe the long-range order parallel to the layer plane. X-ray Absorption Fine Structure (XAFS) studies were used to determine the average local structural environment of the ferromagnetic atoms. For the Co/X systems, a simple correlation between crystal structure and saturation magnetization is discovered for the Co/Mo system. For the Fe/X systems, direct evidence of an Fe-silicide is found for the /[FeSi/] spacer layer but not for the Si spacer layer. Additionally, differences were observed in the magnetic behavior between the Fe in the nominally pure Fe layer and the Fe contained in the /[FeSi/] spacer layers.

Simultaneous modelling of X-ray emission and optical polarization of intermediate polars: the case of V405 Aur

NASA Astrophysics Data System (ADS)

J. Lima, I.; Vilega Rodrigues, C.; Medeiros Gomes Silva, K.; Luna, G.; D Amico, F.; Goulart Coelho, J.

2017-10-01

Intermediate polars are compact binaries in which mass transfer occurs from a low-mass star onto a magnetic white dwarf. A shock structure is formed in the magnetic accretion column nearby the white-dwarf surface. High-energy emission is produced in the post-shock region and the main physical process envolved is bremsstrahlung and line emission. Some systems show optical polarization, which may be also originated in the post-shock region. Our main goal is to study the magnetic structure of intermediate polars by simultaneously modelling optical polarimetry and X-ray data using the CYCLOPS code. This code was developed by our group to peform multi-wavelength fitting of the accretion column flux. It considers cyclotron and free-free emission from a 3D post-shock region, which is non-homogeneous in terms of density, temperature, and magnetic field. In this study, we present our modelling of the optical polarization and X-ray emission of V405 Aurigae, the intermediate polar that has the highest magnetic field. Previous studies of this system were not successful in proposing a geometry that explains both the optical and X-ray emissions.

X-Ray Variability of BL Lac Objects

NASA Astrophysics Data System (ADS)

McHardy, Ian

I present an overview of the X-ray temporal and spectral variability of BL Lacs on both short and long timescales. The previously observed behaviour of short (~days) flares superimposed on a relatively steady `quiescent' level is still broadly correct. However, for the brighter BL Lacs, the well sampled lightcurves from the RXTE ASM show that the `quiescent' level also varies considerably on timescales of ~100 days in a manner similar to that seen in Optically Violently Variable Quasars (OVVs) such as 3C279 and 3C273. Possible reasons for this behaviour are discussed. For the large majority of BL Lacs the soft and medium energy X-ray bands are dominated by synchrotron emission and, unlike the case of OVVs, the emission mechanism is not in doubt. Most interest then centres on the structure of the emitting region, and the electron acceleration processes, particularly during outbursts. That structure, and the acceleration processes, can be investigated by consideration of the spectral variability during flares, which is not simple. I review the observations of spectral variability and consider the evidence for and against homogeneous models. I also briefly compare the X-ray spectral variability of BL Lacs with that of OVVs such as 3C273.

Synchrotron Powder X-ray Diffraction Study of the Structure and Dehydration Behavior of Sepiolite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Post,J.; Bish, D.; Heaney, P.

2007-01-01

Rietveld refinements using synchrotron powder X-ray diffraction data were used to study the crystal structure and dehydration behavior of sepiolite from Durango, Mexico. The room-temperature (RT) sepiolite structure in air compares well with previous models but reveals an additional zeolitic H{sub 2}O site. The RT structure under vacuum retained only {approx}1/8 of the zeolitic H{sub 2}O and the volume decreased by 1.3%. Real-time, temperature-resolved synchrotron powder X-ray diffraction data and Rietveld refinements were used to investigate the behavior of the sepiolite structure from 300 to 925 K. Rietveld refinements revealed that most of the zeolitic H{sub 2}O is lost bymore » {approx}390 K, accompanied by a decrease in the a and c unit-cell parameters. Above {approx}600 K the sepiolite structure folds as one-half of the crystallographically bound H{sub 2}O is lost. Rietveld refinements of the 'anhydrous' sepiolite structure reveal that, in general, unit-cell parameters a and b and volume steadily decrease with increasing temperature; there is an obvious change in slope at {approx}820 K suggesting a phase transformation coinciding with the loss of the remaining bound H{sub 2}O molecule.« less

Three-dimensional reciprocal space x-ray coherent scattering tomography of two-dimensional object.

PubMed

Zhu, Zheyuan; Pang, Shuo

2018-04-01

X-ray coherent scattering tomography is a powerful tool in discriminating biological tissues and bio-compatible materials. Conventional x-ray scattering tomography framework can only resolve isotropic scattering profile under the assumption that the material is amorphous or in powder form, which is not true especially for biological samples with orientation-dependent structure. Previous tomography schemes based on x-ray coherent scattering failed to preserve the scattering pattern from samples with preferred orientations, or required elaborated data acquisition scheme, which could limit its application in practical settings. Here, we demonstrate a simple imaging modality to preserve the anisotropic scattering signal in three-dimensional reciprocal (momentum transfer) space of a two-dimensional sample layer. By incorporating detector movement along the direction of x-ray beam, combined with a tomographic data acquisition scheme, we match the five dimensions of the measurements with the five dimensions (three in momentum transfer domain, and two in spatial domain) of the object. We employed a collimated pencil beam of a table-top copper-anode x-ray tube, along with a panel detector to investigate the feasibility of our method. We have demonstrated x-ray coherent scattering tomographic imaging at a spatial resolution ~2 mm and momentum transfer resolution 0.01 Å -1 for the rotation-invariant scattering direction. For any arbitrary, non-rotation-invariant direction, the same spatial and momentum transfer resolution can be achieved based on the spatial information from the rotation-invariant direction. The reconstructed scattering profile of each pixel from the experiment is consistent with the x-ray diffraction profile of each material. The three-dimensional scattering pattern recovered from the measurement reveals the partially ordered molecular structure of Teflon wrap in our sample. We extend the applicability of conventional x-ray coherent scattering tomography to the reconstruction of two-dimensional samples with anisotropic scattering profile by introducing additional degree of freedom on the detector. The presented method has the potential to achieve low-cost, high-specificity material discrimination based on x-ray coherent scattering. © 2018 American Association of Physicists in Medicine.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malashkevich, Vladimir N.; Higgins, Chelsea D.; Almo, Steven C.

The coiled-coil is one of the most ubiquitous and well studied protein structural motifs. Significant effort has been devoted to dissecting subtle variations of the typical heptad repeat sequence pattern that can designate larger topological features such as relative α-helical orientation and oligomer size. Here in this paper we report the X-ray structure of a model coiled-coil peptide, HA2-Del-L2seM, which forms an unanticipated core antiparallel dimer with potential sites for discrete higher-order multimerization (trimer or tetramer). In the X-ray structure, a third, partially-ordered α-helix is weakly associated with the antiparallel dimer and analytical ultracentrifugation experiments indicate the peptide forms amore » well-defined tetramer in solution. The HA2-Del-L2seM sequence is closely related to a parent model peptide, HA2-Del, which we previously reported adopts a parallel trimer; HA2-Del-L2seM differs by only hydrophobic leucine to selenomethione mutations and thus this subtle difference is sufficient to switch both relative α-helical topology and number of α-helices participating in the coiled-coil. Comparison of the X-ray structures of HA2-Del-L2seM (reported here) with the HA2-Del parent (reported previously) reveals novel interactions involving the selenomethionine residues that promote antiparallel coiled-coil configuration and preclude parallel trimer formation. Finally, these novel atomic insights are instructive for understanding subtle features that can affect coiled-coil topology and provide additional information for design of antiparallel coiled-coils.« less

Efficient implementation of core-excitation Bethe-Salpeter equation calculations

NASA Astrophysics Data System (ADS)

Gilmore, K.; Vinson, John; Shirley, E. L.; Prendergast, D.; Pemmaraju, C. D.; Kas, J. J.; Vila, F. D.; Rehr, J. J.

2015-12-01

We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including X-ray absorption (XAS), X-ray emission (XES), and both resonant and non-resonant inelastic X-ray scattering spectra (N/RIXS). Calculations are based on density functional theory (DFT) electronic structures generated either by ABINIT or QuantumESPRESSO, both plane-wave basis, pseudopotential codes. This electronic structure is improved through the inclusion of a GW self energy. The projector augmented wave technique is used to evaluate transition matrix elements between core-level and band states. Final two-particle scattering states are obtained with the NIST core-level BSE solver (NBSE). We have previously reported this implementation, which we refer to as OCEAN (Obtaining Core Excitations from Ab initio electronic structure and NBSE) (Vinson et al., 2011). Here, we present additional efficiencies that enable us to evaluate spectra for systems ten times larger than previously possible; containing up to a few thousand electrons. These improvements include the implementation of optimal basis functions that reduce the cost of the initial DFT calculations, more complete parallelization of the screening calculation and of the action of the BSE Hamiltonian, and various memory reductions. Scaling is demonstrated on supercells of SrTiO3 and example spectra for the organic light emitting molecule Tris-(8-hydroxyquinoline)aluminum (Alq3) are presented. The ability to perform large-scale spectral calculations is particularly advantageous for investigating dilute or non-periodic systems such as doped materials, amorphous systems, or complex nano-structures.

KSC-99pp0355

NASA Image and Video Library

1999-03-26

In the Vertical Processing Facility, TRW technicians check the point of attachment of the solar panel array at right. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93

Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser

PubMed Central

Gati, Cornelius; Oberthuer, Dominik; Yefanov, Oleksandr; Stellato, Francesco; Chiu, Elaine; Yeh, Shin-Mei; Aquila, Andrew; Basu, Shibom; Bean, Richard; Beyerlein, Kenneth R.; Botha, Sabine; Boutet, Sébastien; DePonte, Daniel P.; Doak, R. Bruce; Fromme, Raimund; Galli, Lorenzo; Grotjohann, Ingo; James, Daniel R.; Kupitz, Christopher; Lomb, Lukas; Messerschmidt, Marc; Nass, Karol; Rendek, Kimberly; Shoeman, Robert L.; Wang, Dingjie; Weierstall, Uwe; White, Thomas A.; Williams, Garth J.; Zatsepin, Nadia A.; Fromme, Petra; Spence, John C. H.; Goldie, Kenneth N.; Jehle, Johannes A.; Metcalf, Peter; Barty, Anton

2017-01-01

To understand how molecules function in biological systems, new methods are required to obtain atomic resolution structures from biological material under physiological conditions. Intense femtosecond-duration pulses from X-ray free-electron lasers (XFELs) can outrun most damage processes, vastly increasing the tolerable dose before the specimen is destroyed. This in turn allows structure determination from crystals much smaller and more radiation sensitive than previously considered possible, allowing data collection from room temperature structures and avoiding structural changes due to cooling. Regardless, high-resolution structures obtained from XFEL data mostly use crystals far larger than 1 μm3 in volume, whereas the X-ray beam is often attenuated to protect the detector from damage caused by intense Bragg spots. Here, we describe the 2 Å resolution structure of native nanocrystalline granulovirus occlusion bodies (OBs) that are less than 0.016 μm3 in volume using the full power of the Linac Coherent Light Source (LCLS) and a dose up to 1.3 GGy per crystal. The crystalline shell of granulovirus OBs consists, on average, of about 9,000 unit cells, representing the smallest protein crystals to yield a high-resolution structure by X-ray crystallography to date. The XFEL structure shows little to no evidence of radiation damage and is more complete than a model determined using synchrotron data from recombinantly produced, much larger, cryocooled granulovirus granulin microcrystals. Our measurements suggest that it should be possible, under ideal experimental conditions, to obtain data from protein crystals with only 100 unit cells in volume using currently available XFELs and suggest that single-molecule imaging of individual biomolecules could almost be within reach. PMID:28202732

Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser

DOE PAGES

Gati, Cornelius; Oberthuer, Dominik; Yefanov, Oleksandr; ...

2017-02-15

To understand how molecules function in biological systems, new methods are required to obtain atomic resolution structures from biological material under physiological conditions. Intense femtosecond-duration pulses from X-ray free-electron lasers (XFELs) can outrun most damage processes, vastly increasing the tolerable dose before the specimen is destroyed. This in turn allows structure determination from crystals much smaller and more radiation sensitive than previously considered possible, allowing data collection from room temperature structures and avoiding structural changes due to cooling. Regardless, high-resolution structures obtained from XFEL data mostly use crystals far larger than 1 μm3 in volume, whereas the X-ray beam ismore » often attenuated to protect the detector from damage caused by intense Bragg spots. Here, we describe the 2 Å resolution structure of native nanocrystalline granulovirus occlusion bodies (OBs) that are less than 0.016 μm3 in volume using the full power of the Linac Coherent Light Source (LCLS) and a dose up to 1.3 GGy per crystal. The crystalline shell of granulovirus OBs consists, on average, of about 9,000 unit cells, representing the smallest protein crystals to yield a high-resolution structure by X-ray crystallography to date. The XFEL structure shows little to no evidence of radiation damage and is more complete than a model determined using synchrotron data from recombinantly produced, much larger, cryocooled granulovirus granulin microcrystals. Furthermore, our measurements suggest that it should be possible, under ideal experimental conditions, to obtain data from protein crystals with only 100 unit cells in volume using currently available XFELs and suggest that single-molecule imaging of individual biomolecules could almost be within reach.« less

X-ray beamsplitter

DOEpatents

Ceglio, N.M.; Stearns, D.G.; Hawryluk, A.M.; Barbee, T.W. Jr.

1987-08-07

An x-ray beamsplitter which splits an x-ray beam into two coherent parts by reflecting and transmitting some fraction of an incident beam has applications for x-ray interferometry, x-ray holography, x-ray beam manipulation, and x-ray laser cavity output couplers. The beamsplitter is formed of a wavelength selective multilayer thin film supported by a very thin x-ray transparent membrane. The beamsplitter resonantly transmits and reflects x-rays through thin film interference effects. A thin film is formed of 5--50 pairs of alternate Mo/Si layers with a period of 20--250 A. The support membrane is 10--200 nm of silicon nitride or boron nitride. The multilayer/support membrane structure is formed across a window in a substrate by first forming the structure on a solid substrate and then forming a window in the substrate to leave a free-standing structure over the window. 6 figs.

X-ray beamsplitter

DOEpatents

Ceglio, Natale M.; Stearns, Daniel S.; Hawryluk, Andrew M.; Barbee, Jr., Troy W.

1989-01-01

An x-ray beamsplitter which splits an x-ray beam into two coherent parts by reflecting and transmitting some fraction of an incident beam has applications for x-ray interferometry, x-ray holography, x-ray beam manipulation, and x-ray laser cavity output couplers. The beamsplitter is formed of a wavelength selective multilayer thin film supported by a very thin x-ray transparent membrane. The beamsplitter resonantly transmits and reflects x-rays through thin film interference effects. A thin film is formed of 5-50 pairs of alternate Mo/Si layers with a period of 20-250 A. The support membrane is 10-200 nm of silicon nitride or boron nitride. The multilayer/support membrane structure is formed across a window in a substrate by first forming the structure on a solid substrate and then forming a window in the substrate to leave a free-standing structure over the window.

A software platform for phase contrast x-ray breast imaging research.

PubMed

Bliznakova, K; Russo, P; Mettivier, G; Requardt, H; Popov, P; Bravin, A; Buliev, I

2015-06-01

To present and validate a computer-based simulation platform dedicated for phase contrast x-ray breast imaging research. The software platform, developed at the Technical University of Varna on the basis of a previously validated x-ray imaging software simulator, comprises modules for object creation and for x-ray image formation. These modules were updated to take into account the refractive index for phase contrast imaging as well as implementation of the Fresnel-Kirchhoff diffraction theory of the propagating x-ray waves. Projection images are generated in an in-line acquisition geometry. To test and validate the platform, several phantoms differing in their complexity were constructed and imaged at 25 keV and 60 keV at the beamline ID17 of the European Synchrotron Radiation Facility. The software platform was used to design computational phantoms that mimic those used in the experimental study and to generate x-ray images in absorption and phase contrast modes. The visual and quantitative results of the validation process showed an overall good correlation between simulated and experimental images and show the potential of this platform for research in phase contrast x-ray imaging of the breast. The application of the platform is demonstrated in a feasibility study for phase contrast images of complex inhomogeneous and anthropomorphic breast phantoms, compared to x-ray images generated in absorption mode. The improved visibility of mammographic structures suggests further investigation and optimisation of phase contrast x-ray breast imaging, especially when abnormalities are present. The software platform can be exploited also for educational purposes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Crystal Structure and Proteomics Analysis of Empty Virus-like Particles of Cowpea Mosaic Virus.

PubMed

Huynh, Nhung T; Hesketh, Emma L; Saxena, Pooja; Meshcheriakova, Yulia; Ku, You-Chan; Hoang, Linh T; Johnson, John E; Ranson, Neil A; Lomonossoff, George P; Reddy, Vijay S

2016-04-05

Empty virus-like particles (eVLPs) of Cowpea mosaic virus (CPMV) are currently being utilized as reagents in various biomedical and nanotechnology applications. Here, we report the crystal structure of CPMV eVLPs determined using X-ray crystallography at 2.3 Å resolution and compare it with previously reported cryo-electron microscopy (cryo-EM) of eVLPs and virion crystal structures. Although the X-ray and cryo-EM structures of eVLPs are mostly similar, there exist significant differences at the C terminus of the small (S) subunit. The intact C terminus of the S subunit plays a critical role in enabling the efficient assembly of CPMV virions and eVLPs, but undergoes proteolysis after particle formation. In addition, we report the results of mass spectrometry-based proteomics analysis of coat protein subunits from CPMV eVLPs and virions that identify the C termini of S subunits undergo proteolytic cleavages at multiple sites instead of a single cleavage site as previously observed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Structure and dynamics of coronal plasmas

NASA Technical Reports Server (NTRS)

Golub, Leon

1995-01-01

The Normal Incidence X-ray Telescope (NIXT) obtained a unique set of high resolution full disk solar images which were exposed simultaneously by X-rays in a passband at 63.5 A and by visible light. The perfect alignment of a photospheric visible light image with a coronal X-ray image enables us to present observations of X-ray intensity vs an accurately determined height above the visible limb. The height at which the observed X-ray intensity peak varies from 4000 km in active regions to 9000 km in quiet regions of the sun. The interpretation of the observations stems from the previously established fact that, for the coronal loops, emission in the NIXT bandpass peaks sharply just above the footpoints. Because there is not a sharp peak in the observed X-ray intensity vs off limb height, we conclude that the loop footpoints, when viewed at the limb, are obscured by absorption in chromospheric material along the line of sight. We calculate the X-ray intensity vs height predicted by a number of different idealizations of the solar atmosphere, and we compare these calculations with the observed X-ray intensity vs height. The calculations use existing coronal and chromospheric models. In order for the calculations to reproduce the observed off limb X-ray intensities, we are forced to assume an atmosphere in which the footpoints of coronal loops are interspersed along the line of sight with cooler chromospheric material extending to heights well above the loop footpoints. We argue that the absorption coefficient for NIXT X-rays by chromospheric material is roughly proportional to the neutral hydrogen density, and we estimate an average neutral hydrogen density and scale height implied by the data.

Evaluation of partial coherence correction in X-ray ptychography

DOE PAGES

Burdet, Nicolas; Shi, Xiaowen; Parks, Daniel; ...

2015-02-23

Coherent X-ray Diffraction Imaging (CDI) and X-ray ptychography both heavily rely on the high degree of spatial coherence of the X-ray illumination for sufficient experimental data quality for reconstruction convergence. Nevertheless, the majority of the available synchrotron undulator sources have a limited degree of partial coherence, leading to reduced data quality and a lower speckle contrast in the coherent diffraction patterns. It is still an open question whether experimentalists should compromise the coherence properties of an X-ray source in exchange for a higher flux density at a sample, especially when some materials of scientific interest are relatively weak scatterers. Amore » previous study has suggested that in CDI, the best strategy for the study of strong phase objects is to maintain a high degree of coherence of the illuminating X-rays because of the broadening of solution space resulting from the strong phase structures. In this article, we demonstrate the first systematic analysis of the effectiveness of partial coherence correction in ptychography as a function of the coherence properties, degree of complexity of illumination (degree of phase diversity of the probe) and sample phase complexity. We have also performed analysis of how well ptychographic algorithms refine X-ray probe and complex coherence functions when those variables are unknown at the start of reconstructions, for noise-free simulated data, in the case of both real-valued and highly-complex objects.« less

Structure of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase in complex with the feedback inhibitor CoA reveals only one active-site conformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wubben, T.; Mesecar, A.D.; UIC)

Phosphopantetheine adenylyltransferase (PPAT) catalyzes the penultimate step in the coenzyme A (CoA) biosynthetic pathway, reversibly transferring an adenylyl group from ATP to 4'-phosphopantetheine to form dephosphocoenzyme A (dPCoA). To complement recent biochemical and structural studies on Mycobacterium tuberculosis PPAT (MtPPAT) and to provide further insight into the feedback regulation of MtPPAT by CoA, the X-ray crystal structure of the MtPPAT enzyme in complex with CoA was determined to 2.11 {angstrom} resolution. Unlike previous X-ray crystal structures of PPAT-CoA complexes from other bacteria, which showed two distinct CoA conformations bound to the active site, only one conformation of CoA is observedmore » in the MtPPAT-CoA complex.« less

Myoanatomy of the velvet worm leg revealed by laboratory-based nanofocus X-ray source tomography.

PubMed

Müller, Mark; de Sena Oliveira, Ivo; Allner, Sebastian; Ferstl, Simone; Bidola, Pidassa; Mechlem, Korbinian; Fehringer, Andreas; Hehn, Lorenz; Dierolf, Martin; Achterhold, Klaus; Gleich, Bernhard; Hammel, Jörg U; Jahn, Henry; Mayer, Georg; Pfeiffer, Franz

2017-11-21

X-ray computed tomography (CT) is a powerful noninvasive technique for investigating the inner structure of objects and organisms. However, the resolution of laboratory CT systems is typically limited to the micrometer range. In this paper, we present a table-top nanoCT system in conjunction with standard processing tools that is able to routinely reach resolutions down to 100 nm without using X-ray optics. We demonstrate its potential for biological investigations by imaging a walking appendage of Euperipatoides rowelli , a representative of Onychophora-an invertebrate group pivotal for understanding animal evolution. Comparative analyses proved that the nanoCT can depict the external morphology of the limb with an image quality similar to scanning electron microscopy, while simultaneously visualizing internal muscular structures at higher resolutions than confocal laser scanning microscopy. The obtained nanoCT data revealed hitherto unknown aspects of the onychophoran limb musculature, enabling the 3D reconstruction of individual muscle fibers, which was previously impossible using any laboratory-based imaging technique.

Three Bright X-ray Sources in NGC 1313

NASA Astrophysics Data System (ADS)

Colbert, E.; Petre, R.; Schlegel, E.

1992-12-01

Three bright X-ray sources were detected in a recent (April/May 1991) ROSAT PSPC observation of the nearby (D ~ 4.5 Mpc) face--on barred spiral galaxy NGC 1313. Two of the sources were at positions coincident with X-ray sources detected by Fabbiano & Trinchieri (ApJ 315, 1987) in a previous (Jan 1980) Einstein IPC observation. The position of the brightest Einstein source is near the center of NGC 1313, and the second Einstein source is ~ 7' south of the ``nuclear'' source, in the outskirts of the spiral arms. A third bright X-ray source was detected in the ROSAT observation ~ 7' southwest of the ``nuclear'' source. We present X-ray spectra and X-ray images for the three bright sources found in the ROSAT observation of NGC 1313, and compare with previous Einstein results. Spectral analysis of these sources require them to have very large soft X-ray luminosities ( ~ 10(40) erg s(-1) ) when compared with typical X-ray sources in our Galaxy. Feasible explanations for the X-ray emission are presented. The third X-ray source is positively identified with the recently discovered (Ryder et. al., ApJ 1992) peculiar type-II supernova 1978K.

KSC-99pc0193

NASA Image and Video Library

1999-02-10

In the Vertical Processing Facility (VPF), workers keep watch on the crane lifting the shrouded Chandra X-ray Observatory to a vertical position. The telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0172

NASA Image and Video Library

1999-02-08

Inside the Vertical Processing Facility (VPF), the overhead crane lifts Chandra X-ray Observatory completely out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0194

NASA Image and Video Library

1999-02-10

In the Vertical Processing Facility (VPF), workers guide the final stages as the overhead crane lifts the shrouded Chandra X-ray Observatory to a vertical position. The telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0196

NASA Image and Video Library

1999-02-10

In the Vertical Processing Facility (VPF), workers move the shrouded Chandra X-ray Observatory on its workstand to the scaffolding behind it. The telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0170

NASA Image and Video Library

1999-02-08

Inside the Vertical Processing Facility (VPF), workers check the overhead cable that will lift the Chandra X-ray Observatory out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0169

NASA Image and Video Library

1999-02-08

Inside the Vertical Processing Facility (VPF), workers attach the overhead cable to the Chandra X-ray Observatory to lift it out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0192

NASA Image and Video Library

1999-02-10

In the Vertical Processing Facility (VPF), workers watch as the overhead crane starts lifting the shrouded Chandra X-ray Observatory to a vertical position. The telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0171

NASA Image and Video Library

1999-02-08

Inside the Vertical Processing Facility (VPF), workers begin lifting the Chandra X-ray Observatory out of its protective container. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

Discovery of Spatial and Spectral Structure in the X-Ray Emission from the Crab Nebula

NASA Technical Reports Server (NTRS)

Weisskopf, Martin C.; Hester, J. Jeff; Tennant, Allyn F.; Elsner, Ronald F.; Schulz, Norbert S.; Marshall, Herman L.; Karovska, Margarita; Nichols, Joy S.; Swartz, Douglas A.; Kolodziejczak, Jeffery J.

2000-01-01

The Chandra X-Ray Observatory observed the Crab Nebula and pulsar during orbital calibration. Zeroth-order images with the High-Energy Transmission Grating (HETG) readout by the Advanced Charge Coupled Devices (CCD) Imaging Spectrometer spectroscopy array (ACIS-S) show a striking richness of X-ray structure at a resolution comparable to that of the best ground-based visible-light observations. The HETG-ACIS-S images reveal, for the first time, an X-ray inner ring within the X-ray torus, the suggestion of a hollow-tube structure for the torus, and X-ray knots along the inner ring and (perhaps) along the inward extension of the X-ray jet. Although complicated by instrumental effects and the brightness of the Crab Nebula, the spectrometric analysis shows systematic variations of the X-ray spectrum throughout the nebula.

Discovery of Spatial and Spectral Structure in the X-Ray Emission from the Crab Nebula.

PubMed

Weisskopf; Hester; Tennant; Elsner; Schulz; Marshall; Karovska; Nichols; Swartz; Kolodziejczak; O'Dell

2000-06-20

The Chandra X-Ray Observatory observed the Crab Nebula and pulsar during orbital calibration. Zeroth-order images with the High-Energy Transmission Grating (HETG) readout by the Advanced CCD Imaging Spectrometer spectroscopy array (ACIS-S) show a striking richness of X-ray structure at a resolution comparable to that of the best ground-based visible-light observations. The HETG-ACIS-S images reveal, for the first time, an X-ray inner ring within the X-ray torus, the suggestion of a hollow-tube structure for the torus, and X-ray knots along the inner ring and (perhaps) along the inward extension of the X-ray jet. Although complicated by instrumental effects and the brightness of the Crab Nebula, the spectrometric analysis shows systematic variations of the X-ray spectrum throughout the nebula.

A Chandra Survey of Milky Way Globular Clusters. I. Emissivity and Abundance of Weak X-Ray Sources

NASA Astrophysics Data System (ADS)

Cheng, Zhongqun; Li, Zhiyuan; Xu, Xiaojie; Li, Xiangdong

2018-05-01

Based on archival Chandra data, we have carried out an X-ray survey of 69, or nearly half the known population of, Milky Way globular clusters (GCs), focusing on weak X-ray sources, mainly cataclysmic variables (CVs) and coronally active binaries (ABs). Using the cumulative X-ray luminosity per unit stellar mass (i.e., X-ray emissivity) as a proxy of the source abundance, we demonstrate a paucity (lower by 41% ± 27% on average) of weak X-ray sources in most GCs relative to the field, which is represented by the Solar Neighborhood and Local Group dwarf elliptical galaxies. We also revisit the mutual correlations among the cumulative X-ray luminosity (L X), cluster mass (M), and stellar encounter rate (Γ), finding {L}{{X}}\\propto {M}0.74+/- 0.13, {L}{{X}}\\propto {{{Γ }}}0.67+/- 0.07 and {{Γ }}\\propto {M}1.28+/- 0.17. The three quantities can further be expressed as {L}{{X}}\\propto {M}0.64+/- 0.12 {{{Γ }}}0.19+/- 0.07, which indicates that the dynamical formation of CVs and ABs through stellar encounters in GCs is less dominant than previously suggested, and that the primordial formation channel has a substantial contribution. Taking these aspects together, we suggest that a large fraction of primordial, soft binaries have been disrupted in binary–single or binary–binary stellar interactions before they could otherwise evolve into X-ray-emitting close binaries, whereas the same interactions also have led to the formation of new close binaries. No significant correlations between {L}{{X}}/{L}K and cluster properties, including dynamical age, metallicity, and structural parameters, are found.

Purification, crystallization and preliminary X-ray study of the fungal laccase from Cerrena maxima

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyashenko, Andrey V.; Zhukhlistova, Nadegda E.; Gabdoulkhakov, Azat G.

2006-10-01

The crystallization and preliminary X-ray structure at 1.9 Å resolution of the fungal laccase from C. maxima are presented. Laccases are members of the blue multi-copper oxidase family that oxidize substrate molecules by accepting electrons at a mononuclear copper centre and transferring them to a trinuclear centre. Dioxygen binds to the trinuclear centre and, following the transfer of four electrons, is reduced to two molecules of water. Crystals of the laccase from Cerrena maxima have been obtained and X-ray data were collected to 1.9 Å resolution using synchrotron radiation. A preliminary analysis shows that the enzyme has the typical laccasemore » structure and several carbohydrate sites have been identified. The carbohydrate chains appear to be involved in stabilization of the intermolecular contacts in the crystal structure, thus promoting the formation of well ordered crystals of the enzyme. Here, the results of an X-ray crystallographic study on the laccase from the fungus Cerrena maxima are reported. Crystals that diffract well to a resolution of at least 1.9 Å (R factor = 18.953%; R{sub free} = 23.835; r.m.s.d. bond lengths, 0.06 Å; r.m.s.d. bond angles, 1.07°) have been obtained despite the presence of glycan moieties. The overall spatial organization of C. maxima laccase and the structure of its copper-containing active centre have been determined by the molecular-replacement method using the laccase from Trametes versicolor (Piontek et al., 2002 ▶) as a structural template. In addition, four glycan-binding sites were identified and the 1.9 Å X-ray data were used to determine the previously unknown primary structure of this protein. The identity (calculated from sequence alignment) between the C. maxima laccase and the T. versicolor laccase is about 87%. Tyr196 and Tyr372 show significant extra density at the ortho positions and this has been interpreted in terms of NO{sub 2} substituents.« less

X-Ray Flare Characteristics in lambda Eridani

NASA Technical Reports Server (NTRS)

Smith, Myron A.

1997-01-01

This proposal was for a joint X-ray/ultraviolet/ground-based study of the abnormal Be star lambda Eri, which has previously shown evidence of X-ray flaring from ROSAT observations in 1991. The X-ray component consisted of observations from both the ASCA and ROSAT satellites.

X-Ray Flare Characteristics in Lambda Eridani

NASA Technical Reports Server (NTRS)

Smith, Myron A.

1997-01-01

This proposal was for a joint X-ray/ultraviolet/ground-based study of the abnormal Be star lambda Eri, which has previously shown evidence of X-ray flaring from ROSAT observations in 1991. The X-ray component consisted of observations from both the ASCA and ROSAT satellites.

Predicting the accuracy of ligand overlay methods with Random Forest models.

PubMed

Nandigam, Ravi K; Evans, David A; Erickson, Jon A; Kim, Sangtae; Sutherland, Jeffrey J

2008-12-01

The accuracy of binding mode prediction using standard molecular overlay methods (ROCS, FlexS, Phase, and FieldCompare) is studied. Previous work has shown that simple decision tree modeling can be used to improve accuracy by selection of the best overlay template. This concept is extended to the use of Random Forest (RF) modeling for template and algorithm selection. An extensive data set of 815 ligand-bound X-ray structures representing 5 gene families was used for generating ca. 70,000 overlays using four programs. RF models, trained using standard measures of ligand and protein similarity and Lipinski-related descriptors, are used for automatically selecting the reference ligand and overlay method maximizing the probability of reproducing the overlay deduced from X-ray structures (i.e., using rmsd < or = 2 A as the criteria for success). RF model scores are highly predictive of overlay accuracy, and their use in template and method selection produces correct overlays in 57% of cases for 349 overlay ligands not used for training RF models. The inclusion in the models of protein sequence similarity enables the use of templates bound to related protein structures, yielding useful results even for proteins having no available X-ray structures.

Macromolecular structures probed by combining single-shot free-electron laser diffraction with synchrotron coherent X-ray imaging.

PubMed

Gallagher-Jones, Marcus; Bessho, Yoshitaka; Kim, Sunam; Park, Jaehyun; Kim, Sangsoo; Nam, Daewoong; Kim, Chan; Kim, Yoonhee; Noh, Do Young; Miyashita, Osamu; Tama, Florence; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Tono, Kensuke; Kohmura, Yoshiki; Yabashi, Makina; Hasnain, S Samar; Ishikawa, Tetsuya; Song, Changyong

2014-05-02

Nanostructures formed from biological macromolecular complexes utilizing the self-assembly properties of smaller building blocks such as DNA and RNA hold promise for many applications, including sensing and drug delivery. New tools are required for their structural characterization. Intense, femtosecond X-ray pulses from X-ray free-electron lasers enable single-shot imaging allowing for instantaneous views of nanostructures at ambient temperatures. When combined judiciously with synchrotron X-rays of a complimentary nature, suitable for observing steady-state features, it is possible to perform ab initio structural investigation. Here we demonstrate a successful combination of femtosecond X-ray single-shot diffraction with an X-ray free-electron laser and coherent diffraction imaging with synchrotron X-rays to provide an insight into the nanostructure formation of a biological macromolecular complex: RNA interference microsponges. This newly introduced multimodal analysis with coherent X-rays can be applied to unveil nano-scale structural motifs from functional nanomaterials or biological nanocomplexes, without requiring a priori knowledge.

A glimpse of structural biology through X-ray crystallography.

PubMed

Shi, Yigong

2014-11-20

Since determination of the myoglobin structure in 1957, X-ray crystallography, as the anchoring tool of structural biology, has played an instrumental role in deciphering the secrets of life. Knowledge gained through X-ray crystallography has fundamentally advanced our views on cellular processes and greatly facilitated development of modern medicine. In this brief narrative, I describe my personal understanding of the evolution of structural biology through X-ray crystallography-using as examples mechanistic understanding of protein kinases and integral membrane proteins-and comment on the impact of technological development and outlook of X-ray crystallography.

Crystal structure of human glycine receptor-α3 bound to antagonist strychnine.

PubMed

Huang, Xin; Chen, Hao; Michelsen, Klaus; Schneider, Stephen; Shaffer, Paul L

2015-10-08

Neurotransmitter-gated ion channels of the Cys-loop receptor family are essential mediators of fast neurotransmission throughout the nervous system and are implicated in many neurological disorders. Available X-ray structures of prokaryotic and eukaryotic Cys-loop receptors provide tremendous insights into the binding of agonists, the subsequent opening of the ion channel, and the mechanism of channel activation. Yet the mechanism of inactivation by antagonists remains unknown. Here we present a 3.0 Å X-ray structure of the human glycine receptor-α3 homopentamer in complex with a high affinity, high-specificity antagonist, strychnine. Our structure allows us to explore in detail the molecular recognition of antagonists. Comparisons with previous structures reveal a mechanism for antagonist-induced inactivation of Cys-loop receptors, involving an expansion of the orthosteric binding site in the extracellular domain that is coupled to closure of the ion pore in the transmembrane domain.

Ginga observations of the dipping low-mass X-ray binaries XB 1916-053 and EXO 1748-676

NASA Technical Reports Server (NTRS)

Smale, Alan P.; Mukai, Koji; Williams, O. R.; Jones, Mark H.; Corbet, Robin H. D.

1992-01-01

Ginga observations of XB 1916-053 and EXO 0748-676, low-mass X-ray binaries with pronounced dips of variable depth and duration in their X-ray light curves, are reported. Periodicity studies of XB-1916-053 show results consistent with those from previous Ginga observations, specifically, that the derived X-ray period is shorter than the optical period by about 1 percent. This problem is discussed, and a more refined model for the system is described. Three bursts were detected during the observation of XB 1916-053, the second of which occurred during a dip. Spectral analysis suggests that the second burst caused an almost instantaneous ionization of the absorbing medium in the line of sight. This material then returned to its equilibrium state on the same time scale as the burst decay. Loose limits are placed upon the possible clumpiness of the material responsible for the accretion disk structure in XB 1916-053 and EXO 0748-676.

Colliding winds from early-type stars in binary systems

NASA Technical Reports Server (NTRS)

Stevens, Ian R.; Blondin, John M.; Pollock, A. M. T.

1992-01-01

The dynamics of the wind and shock structure formed by the wind collision in early-type binary systems is examined by means of a 2D hydrodynamics code, which self-consistently accounts for radiative cooling, and represents a significant improvement over previous attempts to model these systems. The X-ray luminosity and spectra of the shock-heated region, accounting for wind attenuation and the influence of different abundances on the resultant level and spectra of X-ray emission are calculated. A variety of dynamical instabilities that are found to dominate the intershock region is examined. These instabilities are found to be particularly important when postshock material is able to cool. These instabilities disrupt the postshock flow and add a time variability of order 10 percent to the X-ray luminosity. The X-ray spectrum of these systems is found to vary with the nuclear abundances of winds. These theoretical models are used to study several massive binary systems, in particular V444 Cyg and HD 193793.

X-ray emission from high temperature plasmas

NASA Technical Reports Server (NTRS)

Harries, W. L.

1974-01-01

X-rays from a 25-hJ plasma focus apparatus were observed with pinhole cameras. The cameras consist of 0.4 mm diameter pinholes in 2 cm thick lead housing enclosing an X-ray intensifying screen at the image plane. Pictures recorded through thin aluminum foils or plastic sheets for X-ray energies sub gamma smaller than 15 keV show distributed X-ray emissions from the focussed plasma and from the anode surface. However, when thick absorbers are used, radial filamentary structure in the X-ray emission from the anode surface is revealed. Occasionally larger structures are observed in addition to the filaments. Possible mechanisms for the filamentary structure are discussed.

Luminosity of serendipitous x-ray QSOs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Margon, B.; Chanan, G.A.; Downes, R.A.

1982-02-01

We have identified the optical counterparts of 47 serendipitously discovered Einstein Observatory X-ray sources with previously unreported quasi-stellar objects. The mean ratio of X-ray to optical luminosity of this sample agrees reasonably well with that derived from X-ray observations of previously known QSOs. However, despite the fact that our limiting magnitude V = 18.5 should permit detection of typical QSOs (i.e., M/sub c/ = -26) to z = 0.9, the mean redshift of our sample is only z = 0.42 Thus the mean luminosity of these objects, M/sub c/ = -24, differs significantly from that of previous QSO surveys withmore » similar optical thresholds. The existence of large numbers of these lower luminosity QSOs which are difficult to discover by previous selection techniques, provides observational confirmation of the steep luminosity function inferred indirectly from optical counts. However, possible explanations for the lack of higher luminosity QSOs in our sample prove even more interesting. If one accepts the global value of the X-ray to optical luminosity ratio proposed by Zamorani et al, and Ku, Helfand, and Lucy, then reconciliation of this ratio with our observations severely constrains the QSO space density and luminosity functions. Alternatively, the ''typical'' QSO-a radio quiet, high redshift (z>1), optically luminous but not superluminous (M/sub c/> or =-27) object-may not be a strong X-ray source. This inference is not in conflict with existing results from Einstein X-ray surveys of preselected QSOs, which also fail to detect such objects. The contribution of QSOs to the diffuse X-ray background radiation is therefore highly uncertain, but may be quite small. Current X-ray data probably do not place significant constraints on the optical number counts of faint QSOs.« less

On the Absence of Non-thermal X-Ray Emission around Runaway O Stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toalá, J. A.; Oskinova, L. M.; Ignace, R.

Theoretical models predict that the compressed interstellar medium around runaway O stars can produce high-energy non-thermal diffuse emission, in particular, non-thermal X-ray and γ -ray emission. So far, detection of non-thermal X-ray emission was claimed for only one runaway star, AE Aur. We present a search for non-thermal diffuse X-ray emission from bow shocks using archived XMM-Newton observations for a clean sample of six well-determined runaway O stars. We find that none of these objects present diffuse X-ray emission associated with their bow shocks, similarly to previous X-ray studies toward ζ Oph and BD+43°3654. We carefully investigated multi-wavelength observations ofmore » AE Aur and could not confirm previous findings of non-thermal X-rays. We conclude that so far there is no clear evidence of non-thermal extended emission in bow shocks around runaway O stars.« less

Optical and X-ray studies of Compact X-ray Binaries in NGC 5904

NASA Astrophysics Data System (ADS)

Bhalotia, Vanshree; Beck-Winchatz, Bernhard

2018-06-01

Due to their high stellar densities, globular cluster systems trigger various dynamical interactions, such as the formation of compact X-ray binaries. Stellar collisional frequencies have been correlated to the number of X-ray sources detected in various clusters and we hope to measure this correlation for NGC 5904. Optical fluxes of sources from archival HST images of NGC 5904 have been measured using a DOLPHOT PSF photometry in the UV, optical and near-infrared. We developed a data analysis pipeline to process the fluxes of tens of thousands of objects using awk, python and DOLPHOT. We plot color magnitude diagrams in different photometric bands in order to identify outliers that could be X-ray binaries, since they do not evolve the same way as singular stars. Aligning previously measured astrometric data for X-ray sources in NGC 5904 from Chandra with archival astrometric data from HST will filter out the outlier objects that are not X-ray producing, and provide a sample of compact binary systems that are responsible for X-ray emission in NGC 5904. Furthermore, previously measured X-ray fluxes of NGC 5904 from Chandra have also been used to measure the X-ray to optical flux ratio and identify the types of compact X-ray binaries responsible for the X-ray emissions in NGC 5904. We gratefully acknowledge the support from the Illinois Space Grant Consortium.

Atomic origin of the spin-polarization of the Co2FeAl Heusler compound

NASA Astrophysics Data System (ADS)

Liang, Jaw-Yeu; Lam, Tu-Ngoc; Lin, Yan-Cheng; Chang, Shu-Jui; Lin, Hong-Ji; Tseng, Yuan-Chieh

2016-02-01

Using synchrotron x-ray techniques, we studied the Co2FeAl spin-polarization state that generates the half-metallicity of the compound during an A2 (low-spin)  →  B2 (high-spin) phase transition. Given the advantage of element specificity of x-ray techniques, we could fingerprint the structural and magnetic cross-reactions between Co and Fe within a complex Co2FeAl structure deposited on a MgO (0 0 1) substrate. X-ray diffraction and extended x-ray absorption fine structure investigations determined that the Co atoms preferably populate the (1/4,1/4,1/4) and (3/4,3/4,3/4) sites during the development of the B2 phase. X-ray magnetic spectroscopy showed that although the two magnetic elements were ferromagnetically coupled, they interacted in a competing manner via a charge-transfer effect, which enhanced Co spin polarization at the expense of Fe spin polarization during the phase transition. This means that the spin-polarization of Co2FeAl was electronically dominated by Fe in A2 whereas the charge transfer turned the dominance to Co upon B2 formation. Helicity-dependent x-ray absorption spectra also revealed that only the minority state of Co/Fe was involved in the charge-transfer effect whereas the majority state was independent of it. Despite an overall increase of Co2FeAl magnetization, the charge-transfer effect created an undesired trade-off during the Co-Fe exchange interactions, because of the presence of twice as many X sites (Co) as Y sites (Fe) in the Heusler X 2 YZ formula. This suggests that the spin-polarization of Co2FeAl is unfortunately regulated by compromising the enhanced X (Co) sites and the suppressed Y (Fe) sites, irrespective of the development of the previously known high-spin-polarization phase of B2. This finding provides a possible cause for the limited half-metallicity of Co2FeAl discovered recently. Electronic tuning between the X and Y sites is necessary to further increase the spin-polarization, and likely the half-metallicity as well, of the compound.

The X-ray properties of high redshift, optically selected QSOs. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Anderson, S. F.

1985-01-01

In order to study the X-ray properties of high redshift QSOs, grism/grens plates covering 17 deg. of sky previously imaged to very sensitive X-ray flux levels with the Einstein Observatory were taken. Following optical selection of the QSO, the archived X-ray image is examined to extract an X-ray flux detection or a sensitive upper limit.

Local structural and chemical ordering of nanosized Pt3±δCo probed by multiple-scattering x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Greco, Giorgia; Witkowska, Agnieszka; Principi, Emiliano; Minicucci, Marco; di Cicco, Andrea

2011-04-01

This work reports a detailed investigation of the local structure and chemical disorder of a Pt3±δCo thin film and Pt3±δCo nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). High-quality XAS spectra at the Co K edge and Pt L3 edge have been analyzed using double-edge multiple-scattering data analysis. Structural extended x-ray absorption fine structure (EXAFS) refinements have been performed accounting for the reduction of the coordination numbers and degeneracy of three-atom configurations, resulting from the measured size distribution and stoichiometry. The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations based on a simple model accounting for substitutional disorder, defined by an order parameter s. It has been found that individual EXAFS signals related to the minority species (Co) are extremely sensitive to substitutional disorder so their intensities, especially those of the collinear three-atom configurations, can be used as a measure of the ordering level. The thin film has been found to be chemically disordered (s⩽0.4), in agreement with previous estimates. The Pt3±δCo nanoalloy has been found to be partially ordered (s=0.6±0.1) while the local structure around Co atoms is characterized by a higher level of structural disorder as compared to the bulk-like thin film. The robust approach for nanomaterial characterization used in this work combining different techniques can, in principle, be applied for structural refinements of any binary nanocrystalline functional system.

Recent observations with phase-contrast x-ray computed tomography

NASA Astrophysics Data System (ADS)

Momose, Atsushi; Takeda, Tohoru; Itai, Yuji; Tu, Jinhong; Hirano, Keiichi

1999-09-01

Recent development in phase-contrast X-ray computed tomography using an X-ray interferometer is reported. To observe larger samples than is possible with our previous X-ray interferometer, a large monolithic X-ray interferometer and a separated-type X-ray interferometer were studied. At the present time, 2.5 cm X 1.5 cm interference patterns have been generated with the X-ray interferometers using synchrotron X-rays. The large monolithic X-ray interferometer has produced interference fringes with 80% visibility, and has been used to measure various tissues. To produce images with higher spatial resolution, we fabricated another X-ray interferometer whose wafer was partially thinned by chemical etching. A preliminary test suggested that the spatial resolution has been improved.

The incommensurately modulated(1 - x)Ta 2O 5· xWO 3, 0 ≤ x ≤ 0.267 solid solution

NASA Astrophysics Data System (ADS)

Schmid, Siegbert; Withers, Ray L.; Thompson, John G.

1992-08-01

The phase(1 - x)Ta 2O 5 · WO 3, 0 ≤ x ≤ 0.267 has been studied by X-ray powder diffraction and transmission electron microscopy. It was previously described as an infinite series of anion-deficient, α-UO 3-type "line phases," with compositions resulting from intergrowths of different blocks made up by small numbers of α-UO 3-type cells. More correctly(1 - x)Ta 2O 5· xWO 3, 0 ≤ x ≤ 0.267 is described as an incommensurately modulated structure with a linearly composition-dependent primary modulation wave-vector qprim. = qb*. The underlying orthorhombically distorted α-UO 3-type parent structure has space group symmetry Cmmm ( a ≈ 6.20-6.14, b ≈ 3.66, c ≈ 3.89-3.85Å). Characteristic extinction conditions imply a superspace group symmetry of P : Cmmmm : s, -1,1. The four previously reported crystal structures in the solid solution field are examined by means of apparent valence calculations. Crystal chemical reasons are proposed for the width of the composition range,0 ≤ x ≤ 0.267, observed for the title phase.

Structural changes that occur upon photolysis of the Fe(II)a3 - CO complex in the cytochrome ba3-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to CuB

PubMed Central

Liu, Bin; Zhang, Yang; Sage, J. Timothy; Soltis, S. Michael; Doukov, Tzanko; Chen, Ying; Stout, C. David; Fee, James A.

2012-01-01

The purpose of the work was to provide a crystallographic demonstration of the venerable idea that CO photolyzed from ferrous heme-a3 moves to the nearby cuprous ion in the cytochrome c oxidases. Crystal structures of CO-bound cytochrome ba3-oxidase from Thermus thermophilus, determined at ~ 2.8 – 3.2 Å resolution, reveal a Fe-C distance of ~2.0 Å, a Cu-O distance of 2.4 Å and a Fe-C-O angle of ~126°. Upon photodissociation at 100 K, X-ray structures indicate loss of Fea3-CO and appearance of CuB-CO having a Cu-C distance of ~1.9 Å and an O-Fe distance of ~2.3 Å. Absolute FTIR spectra recorded from single crystals of reduced ba3–CO that had not been exposed to X-ray radiation, showed several peaks around 1975 cm−1; after photolysis at 100 K, the absolute FTIR spectra also showed a significant peak at 2050 cm−1. Analysis of the “light’ minus ‘dark’ difference spectra showed four very sharp CO stretching bands at 1970 cm−1, 1977 cm−1, 1981 cm−1, and 1985 cm−1, previously assigned to the Fea3-CO complex, and a significantly broader CO stretching band centered at ~2050 cm−1, previously assigned to the CO stretching frequency of CuB bound CO. As expected for light propagating along the tetragonal axis of the P43212 space group, the single crystal spectra exhibit negligible dichroism. Absolute FTIR spectrometry of a CO-laden ba3 crystal, exposed to an amount of X-ray radiation required to obtain structural data sets before FTIR characterization, showed a significant signal due to photogenerated CO2 at 2337 cm−1 and one from traces of CO at 2133 cm−1; while bands associated with CO bound to either Fea3 or to CuB in “light” minus “dark” FTIR difference spectra shifted and broadened in response to X-ray exposure. In spite of considerable radiation damage to the crystals, both X-ray analysis at 2.8 and 3.2 Å and FTIR spectra support the long-held position that photolysis of Fea3-CO in cytochrome c oxidases leads to significant trapping of the CO on the CuB atom; Fea3 and CuB ligation, at the resolutions reported here, are otherwise unaltered. PMID:22226917

Method and apparatus for molecular imaging using x-rays at resonance wavelengths

DOEpatents

Chapline, G.F. Jr.

Holographic x-ray images are produced representing the molecular structure of a microscopic object, such as a living cell, by directing a beam of coherent x-rays upon the object to produce scattering of the x-rays by the object, producing interference on a recording medium between the scattered x-rays from the object and unscattered coherent x-rays and thereby producing holograms on the recording surface, and establishing the wavelength of the coherent x-rays to correspond with a molecular resonance of a constituent of such object and thereby greatly improving the contrast, sensitivity and resolution of the holograms as representations of molecular structures involving such constituent. For example, the coherent x-rays may be adjusted to the molecular resonant absorption line of nitrogen at about 401.3 eV to produce holographic images featuring molecular structures involving nitrogen.

Direct detection of x-rays for protein crystallography employing a thick, large area CCD

DOEpatents

Atac, Muzaffer; McKay, Timothy

1999-01-01

An apparatus and method for directly determining the crystalline structure of a protein crystal. The crystal is irradiated by a finely collimated x-ray beam. The interaction of the x-ray beam with the crystal produces scattered x-rays. These scattered x-rays are detected by means of a large area, thick CCD which is capable of measuring a significant number of scattered x-rays which impact its surface. The CCD is capable of detecting the position of impact of the scattered x-ray on the surface of the CCD and the quantity of scattered x-rays which impact the same cell or pixel. This data is then processed in real-time and the processed data is outputted to produce a image of the structure of the crystal. If this crystal is a protein the molecular structure of the protein can be determined from the data received.

Method and apparatus for molecular imaging using X-rays at resonance wavelengths

DOEpatents

Chapline, Jr., George F.

1985-01-01

Holographic X-ray images are produced representing the molecular structure of a microscopic object, such as a living cell, by directing a beam of coherent X-rays upon the object to produce scattering of the X-rays by the object, producing interference on a recording medium between the scattered X-rays from the object and unscattered coherent X-rays and thereby producing holograms on the recording surface, and establishing the wavelength of the coherent X-rays to correspond with a molecular resonance of a constituent of such object and thereby greatly improving the contrast, sensitivity and resolution of the holograms as representations of molecular structures involving such constituent. For example, the coherent X-rays may be adjusted to the molecular resonant absorption line of nitrogen at about 401.3 eV to produce holographic images featuring molecular structures involving nitrogen.

Insights from soft X-rays: the chlorine and sulfur sub-structures of a CK2alpha/DRB complex.

PubMed

Raaf, Jennifer; Issinger, Olaf-Georg; Niefind, Karsten

2008-09-01

The diffraction pattern of a protein crystal is normally a product of the interference of electromagnetic waves scattered by electrons of the crystalline sample. The diffraction pattern undergoes systematic changes in case additionally X-ray absorption occurs, meaning if the wavelength of the primary X-ray beam is relatively close to the absorption edge of selected elements of the sample. The resulting effects are summarized as "anomalous dispersion" and can be always observed with "soft" X-rays (wavelength around 2 A) since they match the absorption edges of sulfur and chlorine. A particularly useful application of this phenomenon is the experimental detection of the sub-structures of the anomalous scatterers in protein crystals. We demonstrate this here with a crystal of a C-terminally truncated variant of human CK2alpha to which two molecules of the inhibitor 5,6-dichloro-1-beta-D-ribo-furanosyl-benzimidazole (DRB) are bound. The structure of this co-crystal has been solved recently. For this study we measured an additional diffraction data set at a wavelength of 2 A which showed strong anomalous dispersion effects. On the basis of these effects we detected all sulfur atoms of the protein, the two liganded DRB molecules and a total of 16 additional chloride ions some of them emerging at positions filled with water molecules in previous structure determinations. A number of chloride ions are bound to structural and functional important locations fitting to the constitutive activity and the acidophilic substrate specificity of the enzyme.

Symbiotic Stars in X-rays

NASA Technical Reports Server (NTRS)

Luna, G. J. M.; Sokoloski, J. L.; Mukai, K.; Nelson, T.

2014-01-01

Until recently, symbiotic binary systems in which a white dwarf accretes from a red giant were thought to be mainly a soft X-ray population. Here we describe the detection with the X-ray Telescope (XRT) on the Swift satellite of 9 white dwarf symbiotics that were not previously known to be X-ray sources and one that was previously detected as a supersoft X-ray source. The 9 new X-ray detections were the result of a survey of 41 symbiotic stars, and they increase the number of symbiotic stars known to be X-ray sources by approximately 30%. Swift/XRT detected all of the new X-ray sources at energies greater than 2 keV. Their X-ray spectra are consistent with thermal emission and fall naturally into three distinct groups. The first group contains those sources with a single, highly absorbed hard component, which we identify as probably coming from an accretion-disk boundary layer. The second group is composed of those sources with a single, soft X-ray spectral component, which likely arises in a region where low-velocity shocks produce X-ray emission, i.e. a colliding-wind region. The third group consists of those sources with both hard and soft X-ray spectral components. We also find that unlike in the optical, where rapid, stochastic brightness variations from the accretion disk typically are not seen, detectable UV flickering is a common property of symbiotic stars. Supporting our physical interpretation of the two X-ray spectral components, simultaneous Swift UV photometry shows that symbiotic stars with harder X-ray emission tend to have stronger UV flickering, which is usually associated with accretion through a disk. To place these new observations in the context of previous work on X-ray emission from symbiotic stars, we modified and extended the alpha/beta/gamma classification scheme for symbiotic-star X-ray spectra that was introduced by Muerset et al. based upon observations with the ROSAT satellite, to include a new sigma classification for sources with hard X-ray emission from the innermost accretion region. Since we have identified the elusive accretion component in the emission from a sample of symbiotic stars, our results have implications for the understanding of wind-fed mass transfer in wide binaries, and the accretion rate in one class of candidate progenitors of type Ia supernovae.

High-pressure studies with x-rays using diamond anvil cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Guoyin; Mao, Ho Kwang

2016-11-22

Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. Thesemore » HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.« less

High-pressure studies with x-rays using diamond anvil cells

NASA Astrophysics Data System (ADS)

Shen, Guoyin; Mao, Ho Kwang

2017-01-01

Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials’ properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.

Morphological evolution of X-ray flare structures from the rise through the decay phase. [Skylab study of solar flares

NASA Technical Reports Server (NTRS)

Kahler, S. W.; Krieger, A. S.; Vaiana, G. S.

1975-01-01

The morphological evolution of 12 solar X-ray subflares from onset through the decay phase has been studied using photographic X-ray images obtained from Skylab. The spatial configurations are found to vary widely from flare to flare, but they appear to be composed of two basic kinds of structures. The first, termed 'X-ray kernels', are brightest during the rise phase; the second, looplike structures, appear during the maximum and decay phases of the event. The X-ray kernels are small pointlike structures which may be related to the nonthermal phases of flares.

Chemical and morphological characterization of III-V strained layered heterostructures

NASA Astrophysics Data System (ADS)

Gray, Allen Lindsay

This dissertation describes investigations into the chemical and morphological characterization of III-V strained layered heterostructures by high-resolution x-ray diffraction. The purpose of this work is two-fold. The first was to use high-resolution x-ray diffraction coupled with transmission electron microscopy to characterize structurally a quaternary AlGaAsSb/InGaAsSb multiple quantum well heterostructure laser device. A method for uniquely determining the chemical composition of the strain quaternary quantum well, information previously thought to be unattainable using high resolution x-ray diffraction is thoroughly described. The misconception that high-resolution x-ray diffraction can separately find the well and barrier thickness of a multi-quantum well from the pendellosung fringe spacing is corrected, and thus the need for transmission electron microscopy is motivated. Computer simulations show that the key in finding the well composition is the intensity of the -3rd order satellite peaks in the diffraction pattern. The second part of this work addresses the evolution of strain relief in metastable multi-period InGaAs/GaAs multi-layered structures by high-resolution x-ray reciprocal space maps. Results are accompanied by transmission electron and differential contrast microscopy. The evolution of strain relief is tracked from a coherent "pseudomorphic" growth to a dislocated state as a function of period number by examining the x-ray diffuse scatter emanating from the average composition (zeroth-order) of the multi-layer. Relaxation is determined from the relative positions of the substrate with respect to the zeroth-order peak. For the low period number, the diffuse scatter from the multi-layer structure region arises from periodic, coherent crystallites. For the intermediate period number, the displacement fields around the multi-layer structure region transition to random coherent crystallites. At the higher period number, displacement fields of overlapping dislocations from relaxation of the random crystallites cause the initial stages of relaxation of the multi-layer structure. At the highest period number studied, relaxation of the multi-layer structure becomes bi-modal characterized by overlapping dislocations caused by mosaic block relaxation and periodically spaced misfit dislocations formed by 60°-type dislocations. The relaxation of the multi-layer structure has an exponential dependence on the diffuse scatter length-scale, which is shown to be a sensitive measure of the onset of relaxation.

History of Chandra X-Ray Observatory

NASA Image and Video Library

2000-12-18

This Chandra image of Jupiter shows concentrations of aurora x-rays near the north and south poles due to a single `hot spot' that pulsates with a period of 45 minutes, similar to high-latitude radio pulsation previously detected by NASA's Galileo and Cassini spacecraft. Previous x-ray detections of Jupiter have been made with other x-ray telescopes, but did not reveal that the sources of the x-rays, energetic oxygen and sulfur ions, would be located so near the poles. Previous theories held that ions were mostly coming from Jupiter's moon, lo. Chandra's ability to pinpoint the source of the x-rays discards this theory since ions coming from near lo's orbit carnot reach the observed high latitudes. One possibility is that particles flowing out from the Sun are captured in the outer regions of Jupiter's magnetic field, then accelerated and directed toward its magnetic pole. Once captured, the ions would bounce back and forth in the magnetic field from Jupiter's north pole to the south pole in an oscillating motion that could explain the pulsation.

The size and structure of the laser entrance hole in gas-filled hohlraums at the National Ignition Facility

NASA Astrophysics Data System (ADS)

Schneider, M. B.; MacLaren, S. A.; Widmann, K.; Meezan, N. B.; Hammer, J. H.; Yoxall, B. E.; Bell, P. M.; Benedetti, L. R.; Bradley, D. K.; Callahan, D. A.; Dewald, E. L.; Döppner, T.; Eder, D. C.; Edwards, M. J.; Guymer, T. M.; Hinkel, D. E.; Hohenberger, M.; Hsing, W. W.; Kervin, M. L.; Kilkenny, J. D.; Landen, O. L.; Lindl, J. D.; May, M. J.; Michel, P.; Milovich, J. L.; Moody, J. D.; Moore, A. S.; Ralph, J. E.; Regan, S. P.; Thomas, C. A.; Wan, A. S.

2015-12-01

At the National Ignition Facility, a thermal X-ray drive is created by laser energy from 192 beams heating the inside walls of a gold cylinder called a "hohlraum." The x-ray drive heats and implodes a fuel capsule. The laser beams enter the hohlraum via laser entrance holes (LEHs) at each end. The LEH radius decreases as heated plasma from the LEH material blows radially inward but this is largely balanced by hot plasma from the high-intensity region in the center of the LEH pushing radially outward. The x-ray drive on the capsule is deduced by measuring the time evolution and spectra of the x-radiation coming out of the LEH and correcting for geometry and for the radius of the LEH. Previously, the LEH radius was measured using time-integrated images in an x-ray band of 3-5 keV (outside the thermal x-ray region). For gas-filled hohlraums, the measurements showed that the LEH radius is larger than that predicted by the standard High Flux radiation-hydrodynamic model by about 10%. A new platform using a truncated hohlraum ("ViewFactor hohlraum") is described, which allows time-resolved measurements of the LEH radius at thermal x-ray energies from two views, from outside the hohlraum and from inside the hohlraum. These measurements show that the LEH radius closes during the low power part of the pulse but opens up again at peak power. The LEH radius at peak power is larger than that predicted by the models by about 15%-20% and does not change very much with time. In addition, time-resolved images in a >4 keV (non-thermal) x-ray band show a ring of hot, optically thin gold plasma just inside the optically thick LEH plasma. The structure of this plasma varies with time and with Cross Beam Energy Transfer.

Factors Influencing Ferrihydrite Crystallinity In Natural And Synthetic Systems

EPA Science Inventory

Recent investigations of the structure of the mineral ferrihydrite indicate that disparities in the number of peaks observed in powder x-ray diffraction patterns can be attributed to differences in crystallite size. This has lead to the conclusion that specimens previously refer...

Loop models of low coronal structures observed by the Normal Incidence X-Ray Telescope (NIXT)

NASA Technical Reports Server (NTRS)

Peres, G.; Reale, F.; Golub, L.

1994-01-01

The X-ray pictures obtained with the Normal Incidence X-Ray Telescope (NIXT), apart from the ubiquitous coronal loops well known from previous X-ray observations, show a new and peculiar morphology: in many active regions there are wide and apparently low-lying areas of intense emission which resemble H alpha plages. By means of hydrostatic models of coronal arches, we analyze the distribution of temperature, density, emission measure, and plasma emissivity in the spectral band to which NIXT is sensitive, and we show that the above morphology can be explained by the characteristics of high pressure loops having a thin region of high surface brightness at the base. We therefore propose that this finding might help to identify high-pressure X-ray emitting coronal regions in NIXT images, and it is in principle applicable to any imaging instrument which has high sensitivity to 10(exp 4) - 10(exp 6) K plasma within a narrow coronal-temperature passband. As a more general result of this study, we propose that the comparison of NIXT observations with models of stationary loops might provide a new diagnostic: the determination of the loop plasma pressure from measurements of brightness distribution along the loop.

Reduced chromium in olivine grains from lunar basalt 15555 - X-ray Absorption Near Edge Structure (XANES)

NASA Technical Reports Server (NTRS)

Sutton, S. R.; Jones, K. W.; Gordon, B.; Rivers, M. L.; Bajt, S.; Smith, J. V.

1993-01-01

The oxidation state of Cr in 200-micron regions within individual lunar olivine and pyroxene grains from lunar basalt 15555 was inferred using X-ray Absorption Near Edge Structure (XANES). Reference materials had previously been studied by optical absorption spectroscopy and included Cr-bearing borosilicate glasses synthesized under controlled oxygen fugacity and Cr-doped olivines. The energy dependence of XANES spectral features defined by these reference materials indicated that Cr is predominantly divalent in the lunar olivine and trivalent in the pyroxene. These results, coupled with the apparent f(02)-independence of partitioning coefficients for Cr into olivine, imply that the source magma was dominated by divalent Cr at the time of olivine crystallization.

Purification, crystallization and preliminary X-ray diffraction analysis of adenosine triphosphate sulfurylase (ATPS) from the sulfate-reducing bacterium Desulfovibrio desulfuricans ATCC 27774

PubMed Central

Gavel, Olga Yu.; Kladova, Anna V.; Bursakov, Sergey A.; Dias, João M.; Texeira, Susana; Shnyrov, Valery L.; Moura, José J. G.; Moura, Isabel; Romão, Maria J.; Trincão, José

2008-01-01

Native zinc/cobalt-containing ATP sulfurylase (ATPS; EC 2.7.7.4; MgATP:sulfate adenylyltransferase) from Desulfovibrio desulfuricans ATCC 27774 was purified to homogeneity and crystallized. The orthorhombic crystals diffracted to beyond 2.5 Å resolution and the X-ray data collected should allow the determination of the structure of the zinc-bound form of this ATPS. Although previous biochemical studies of this protein indicated the presence of a homotrimer in solution, a dimer was found in the asymmetric unit. Elucidation of this structure will permit a better understanding of the role of the metal in the activity and stability of this family of enzymes. PMID:18607083

Kα X-Ray Emission Spectra and K X-Ray Absorption-Edge Structures of Fluorine in 3d Transition-Metal Difluorides

NASA Astrophysics Data System (ADS)

Sugiura, Chikara

1991-08-01

The fluorine Kα emission spectra in fluorescence from a series of 3d transition-metal difluorides MF2 (M=Mn, Fe, Co, Ni, Cu and Zn) have been measured with a high-resolution two-crystal vacuum spectrometer. It is shown that the observed FWHM of the Kα1,2 emission band is closely related to the difference in the electronegativity between the metal and fluorine atoms. The measured emission spectra are presented along with the UPS or XPS spectra of the valence bands and the fluorine K absorption spectra of the metal difluorides, reported previously. The structures at the fluorine K absorption edges are interpreted in terms of a molecular orbital (MO) model.

The origin of the X-ray, radio and H I structures in the NGC 5903 galaxy group

NASA Astrophysics Data System (ADS)

O'Sullivan, Ewan; Kolokythas, Konstantinos; Kantharia, Nimisha G.; Raychaudhury, Somak; David, Laurence P.; Vrtilek, Jan M.

2018-02-01

The NGC 5903 galaxy group is a nearby (∼30 Mpc) system of ∼30 members, dominated by the giant ellipticals NGC 5903 and NGC 5898. The group contains two unusual structures: a ∼110 kpc long H I filament crossing NGC 5903 and a ∼75 kpc wide diffuse, steep-spectrum radio source of unknown origin that overlaps NGC 5903 and appears to be partly enclosed by the H I filament. Using a combination of Chandra, XMM-Newton, Giant Meterwave Radio Telescope (GMRT) and Very Large Array (VLA) observations, we detect a previously unknown ∼0.65 keV intra-group medium filling the volume within 145 kpc of NGC 5903 and find a loop of enhanced X-ray emission extending ∼35 kpc south-west from the galaxy, enclosing the brightest part of the radio source. The northern and eastern parts of this X-ray structure are also strongly correlated with the southern parts of the H I filament. We determine the spectral index of the bright radio emission to be α _{150}^{612} = 1.03 ± 0.08, indicating a radiative age >360 Myr. We discuss the origin of the correlated radio, X-ray and H I structures, either through an interaction-triggered active galactic nucleus (AGN) outburst with enthalpy 1.8 × 1057 erg, or via a high-velocity collision between a galaxy and the H I filament. While neither scenario provides a complete explanation, we find that an AGN outburst is the most likely source of the principal X-ray and radio structures. However, it is clear that galaxy interactions continue to play an important role in the development of this relatively highly evolved galaxy group. We also resolve the question of whether the group member galaxy ESO 514-3 hosts a double-lobed radio source, confirming that the source is a superposed background AGN.

Synchrotron applications in wood preservation and deterioration

Treesearch

Barbara L. Illman

2003-01-01

Several non-intrusive synchrotron techniques are being used to detect and study wood decay. The techniques use high intensity synchrotron-generated X-rays to determine the atomic structure of materials with imaging, diffraction, and absorption. Some of the techniques are X-ray absorption near edge structure (XANES), X-ray fluorescence spectroscopy (XFS), X-ray...

Synchrotron x-ray high energy PDF and tomography studies for gallium melts under high-pressure conditions

NASA Astrophysics Data System (ADS)

Liu, H.; Liu, L. L.; Li, R.; Li, L.

2015-12-01

Liquid gallium exhibits unusual and unique physical properties. A rich polymorphism and metastable modifications of solid Ga have been discovered and a number of studies of liquid gallium under high pressure conditions were reported. However, some fundamental properties, such as the equation of state (EoS) of Ga melt under extreme conditions remain unclear. To compare to the previous reports, we performed the pair distribution function (PDF) study using diamond anvil cell, in which synchrotron high-energy x-ray total scattering data, combined with reverse Monte Carlo simulation, was used to study the microstructure and EoS of liquid gallium under high pressure at room temperature conditions. The EoS of Ga melt, which was measured from synchrotron x-ray tomography method at room temperature, was used to avoid the potential relatively big errors for the density estimation from the reverse Monte Carlo simulation with the mathematical fit to the measured structure factor data. The volume change of liquid gallium have been studied as a function of pressure and temperature up to 5 GPa at 370 K using synchrotron x-ray microtomography combined with energy dispersive x-ray diffraction (EDXRD) techniques using Drickamer press. The directly measured P-V-T curves were obtained from 3D tomography reconstruction data. The existence of possible liquid-liquid phase transition regions is proposed based on the abnormal compressibility and local structure change in Ga melts.

Hard X-Ray Emission from Partially Occulted Solar Flares: RHESSI Observations in Two Solar Cycles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Effenberger, Frederic; Costa, Fatima Rubio da; Petrosian, Vahé

2017-02-01

Flares close to the solar limb, where the footpoints are occulted, can reveal the spectrum and structure of the coronal looptop source in X-rays. We aim at studying the properties of the corresponding energetic electrons near their acceleration site, without footpoint contamination. To this end, a statistical study of partially occulted flares observed with Reuven Ramaty High-Energy Solar Spectroscopic Imager is presented here, covering a large part of solar cycles 23 and 24. We perform detailed spectra, imaging, and light curve analyses for 116 flares and include contextual observations from SDO and STEREO when available, providing further insights into flaremore » emission that were previously not accessible. We find that most spectra are fitted well with a thermal component plus a broken power-law, non-thermal component. A thin-target kappa distribution model gives satisfactory fits after the addition of a thermal component. X-ray imaging reveals small spatial separation between the thermal and non-thermal components, except for a few flares with a richer coronal source structure. A comprehensive light curve analysis shows a very good correlation between the derivative of the soft X-ray flux (from GOES ) and the hard X-rays for a substantial number of flares, indicative of the Neupert effect. The results confirm that non-thermal particles are accelerated in the corona and estimated timescales support the validity of a thin-target scenario with similar magnitudes of thermal and non-thermal energy fluxes.« less

Evaluation of observed blast loading effects on NIF x-ray diagnostic collimators.

PubMed

Masters, N D; Fisher, A; Kalantar, D; Prasad, R; Stölken, J S; Wlodarczyk, C

2014-11-01

We present the "debris wind" models used to estimate the impulsive load to which x-ray diagnostics and other structures are subject during National Ignition Facility experiments. These models are used as part of the engineering design process. Isotropic models, based on simulations or simplified "expanding shell" models, are augmented by debris wind multipliers to account for directional anisotropy. We present improvements to these multipliers based on measurements of the permanent deflections of diagnostic components: 4× for the polar direction and 2× within the equatorial plane-the latter relaxing the previous heuristic debris wind multiplier.

Structure and Dynamics of Coronal Plasmas

NASA Technical Reports Server (NTRS)

Golub, Leon

1997-01-01

During the past year this grant has funded research in the interaction between magnetic fields and the hot plasma in the solar outer atmosphere. The following is a brief summary of the published papers, abstracts and talks which have been supported. The paper 'Coronal Structures Observed in X-rays and H-alpha Structures' was published in the Kofu Symposium proceedings. The study analyzes cool and hot behavior of two x-ray events, a small flare and a surge. We find that a large H-alpha surge appears in x-rays as a very weak event, while a weak H-alpha feature corresponds to the brightest x-ray emission on the disk at the time of the observation. Calculations of the heating necessary to produce these signatures, and implications for the driving and heating mechanisms of flares vs. surges are presented. A copy of the paper is appended to this report. The paper 'Differential Magnetic Field Shear in an Active Region' has been published in The Astrophysical Journal. We have compared the 3D extrapolation of magnetic fields with the observed coronal structure in an active region. Based on the fit between observed coronal structure throughout the volume of the region and the calculated magnetic field configurations, we propose a differential magnetic field shear model for this active region. The decreasing field shear in the outer portions of the AR may indicate a continual relaxation of the magnetic field with time, corresponding to a net transport of helicity outward. The paper 'Difficulties in Observing Coronal Structure' has been accepted for publication in the journal Solar Physics. In this paper we discuss the evidence that the temperature and density structure of the corona are far more complicated than had previously been thought. The discussion is based on five studies carried out by our group on coronal plasma properties, showing that any one x-ray instrument does see all of the plasma present in the corona, that hot and cool material may appear to be co-spatial at a given location in the corona, and that simple magnetic field extrapolations provide only a poor fit to the observed structure. A copy of the paper is appended to this report.

Exploring the atomic structure and conformational flexibility of a 320 Å long engineered viral fiber using X-ray crystallography.

PubMed

Bhardwaj, Anshul; Casjens, Sherwood R; Cingolani, Gino

2014-02-01

Protein fibers are widespread in nature, but only a limited number of high-resolution structures have been determined experimentally. Unlike globular proteins, fibers are usually recalcitrant to form three-dimensional crystals, preventing single-crystal X-ray diffraction analysis. In the absence of three-dimensional crystals, X-ray fiber diffraction is a powerful tool to determine the internal symmetry of a fiber, but it rarely yields atomic resolution structural information on complex protein fibers. An 85-residue-long minimal coiled-coil repeat unit (MiCRU) was previously identified in the trimeric helical core of tail needle gp26, a fibrous protein emanating from the tail apparatus of the bacteriophage P22 virion. Here, evidence is provided that an MiCRU can be inserted in frame inside the gp26 helical core to generate a rationally extended fiber (gp26-2M) which, like gp26, retains a trimeric quaternary structure in solution. The 2.7 Å resolution crystal structure of this engineered fiber, which measures ∼320 Å in length and is only 20-35 Å wide, was determined. This structure, the longest for a trimeric protein fiber to be determined to such a high resolution, reveals the architecture of 22 consecutive trimerization heptads and provides a framework to decipher the structural determinants for protein fiber assembly, stability and flexibility.

Irreversible transformation of ferromagnetic ordered stripe domains in single-shot infrared-pump/resonant-x-ray-scattering-probe experiments

NASA Astrophysics Data System (ADS)

Bergeard, Nicolas; Schaffert, Stefan; López-Flores, Víctor; Jaouen, Nicolas; Geilhufe, Jan; Günther, Christian M.; Schneider, Michael; Graves, Catherine; Wang, Tianhan; Wu, Benny; Scherz, Andreas; Baumier, Cédric; Delaunay, Renaud; Fortuna, Franck; Tortarolo, Marina; Tudu, Bharati; Krupin, Oleg; Minitti, Michael P.; Robinson, Joe; Schlotter, William F.; Turner, Joshua J.; Lüning, Jan; Eisebitt, Stefan; Boeglin, Christine

2015-02-01

The evolution of a magnetic domain structure upon excitation by an intense, femtosecond infrared (IR) laser pulse has been investigated using single-shot based time-resolved resonant x-ray scattering at the x-ray free electron laser LCLS. A well-ordered stripe domain pattern as present in a thin CoPd alloy film has been used as a prototype magnetic domain structure for this study. The fluence of the IR laser pump pulse was sufficient to lead to an almost complete quenching of the magnetization within the ultrafast demagnetization process taking place within the first few hundreds of femtoseconds following the IR laser pump pulse excitation. On longer time scales this excitation gave rise to subsequent irreversible transformations of the magnetic domain structure. Under our specific experimental conditions, it took about 2 ns before the magnetization started to recover. After about 5 ns the previously ordered stripe domain structure had evolved into a disordered labyrinth domain structure. Surprisingly, we observe after about 7 ns the occurrence of a partially ordered stripe domain structure reoriented into a novel direction. It is this domain structure in which the sample's magnetization stabilizes as revealed by scattering patterns recorded long after the initial pump-probe cycle. Using micromagnetic simulations we can explain this observation based on changes of the magnetic anisotropy going along with heat dissipation in the film.

Synchrotron x-ray imaging visualization study of capillary-induced flow and critical heat flux on surfaces with engineered micropillars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Dong In; Kwak, Ho Jae; Noh, Hyunwoo

Over the past several decades, phenomena related to critical heat flux (CHF) on structured surfaces have received a large amount of attention from the research community. The purpose of such research has been to enhance the safety and efficiency of a variety of thermal systems. A number of theories have been put forward to explain the key CHF enhancement mechanisms on structured surfaces. However, these theories have not been confirmed experimentally due to limitations in the available visualization techniques and the complexity of the phenomena. To overcome the limitations of the previous visualization techniques and elucidate the CHF enhancement mechanismmore » on the structured surfaces, we introduce synchrotron X-ray imaging with high spatial (~2 μm) and time (~20,000 Hz) resolutions. Lastly, this technique has enabled us to confirm that capillary-induced flow is the key CHF enhancement mechanism on structured surfaces.« less

Synchrotron x-ray imaging visualization study of capillary-induced flow and critical heat flux on surfaces with engineered micropillars

DOE PAGES

Yu, Dong In; Kwak, Ho Jae; Noh, Hyunwoo; ...

2018-02-23

Over the past several decades, phenomena related to critical heat flux (CHF) on structured surfaces have received a large amount of attention from the research community. The purpose of such research has been to enhance the safety and efficiency of a variety of thermal systems. A number of theories have been put forward to explain the key CHF enhancement mechanisms on structured surfaces. However, these theories have not been confirmed experimentally due to limitations in the available visualization techniques and the complexity of the phenomena. To overcome the limitations of the previous visualization techniques and elucidate the CHF enhancement mechanismmore » on the structured surfaces, we introduce synchrotron X-ray imaging with high spatial (~2 μm) and time (~20,000 Hz) resolutions. Lastly, this technique has enabled us to confirm that capillary-induced flow is the key CHF enhancement mechanism on structured surfaces.« less

Medicinal chemistry of adenosine, P2Y and P2X receptors.

PubMed

Jacobson, Kenneth A; Müller, Christa E

2016-05-01

Pharmacological tool compounds are now available to define action at the adenosine (ARs), P2Y and P2X receptors. We present a selection of the most commonly used agents to study purines in the nervous system. Some of these compounds, including A1 and A3 AR agonists, P2Y1R and P2Y12R antagonists, and P2X3, P2X4 and P2X7 antagonists, are potentially of clinical use in treatment of disorders of the nervous system, such as chronic pain, neurodegeneration and brain injury. Agonists of the A2AAR and P2Y2R are already used clinically, P2Y12R antagonists are widely used antithrombotics and an antagonist of the A2AAR is approved in Japan for treating Parkinson's disease. The selectivity defined for some of the previously introduced compounds has been revised with updated pharmacological characterization, for example, various AR agonists and antagonists were deemed A1AR or A3AR selective based on human data, but species differences indicated a reduction in selectivity ratios in other species. Also, many of the P2R ligands still lack bioavailability due to charged groups or hydrolytic (either enzymatic or chemical) instability. X-ray crystallographic structures of AR and P2YRs have shifted the mode of ligand discovery to structure-based approaches rather than previous empirical approaches. The X-ray structures can be utilized either for in silico screening of chemically diverse libraries for the discovery of novel ligands or for enhancement of the properties of known ligands by chemical modification. Although X-ray structures of the zebrafish P2X4R have been reported, there is scant structural information about ligand recognition in these trimeric ion channels. In summary, there are definitive, selective agonists and antagonists for all of the ARs and some of the P2YRs; while the pharmacochemistry of P2XRs is still in nascent stages. The therapeutic potential of selectively modulating these receptors is continuing to gain interest in such fields as cancer, inflammation, pain, diabetes, ischemic protection and many other conditions. This article is part of the Special Issue entitled 'Purines in Neurodegeneration and Neuroregeneration'. Published by Elsevier Ltd.

The Hot Phase of a Cold Black Hole Fountain: Unifying Chandra with ALMA

NASA Astrophysics Data System (ADS)

Tremblay, Grant

2016-09-01

A stunning new ALMA observation of the Cool Core Cluster Abell 2597 has revealed that a supermassive black hole can act much like a mechanical pump in a water fountain, inflating a billion solar mass radially expanding molecular bubble that is pushed far out into the galaxy outskirts, only to fall back inward again to feed the AGN. Previous 120 ksec Chandra observations show that this fountain exists amid exquisitely complex X-ray structures, including what may be the first direct observational evidence in support of buoyant X-ray cavity heating models invoked to inhibit cooling flows at late epochs. Mapping the hot phase of the fountain, however, remains impossible absent more X-ray counts. We propose a deep Legacy-class observation to illustrate the combined power of Chandra and ALMA.

KSC-99pc0175

NASA Image and Video Library

1999-02-08

In the Vertical Processing Facility (VPF), workers check fittings and cables on the stand that will raise the Chandra X-ray Observatory to a vertical position. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0168

NASA Image and Video Library

1999-02-08

Inside the Vertical Processing Facility (VPF), the Chandra X-ray Observatory (top) lies in its protective container while workers on the floor prepare the overhead cable that will remove it. In the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0173

NASA Image and Video Library

1999-02-08

In the Vertical Processing Facility (VPF), workers begin moving the overhead crane carrying the Chandra X-ray Observatory from its protective container to a stand on the floor. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

Fluid synthesis and structure of a new polymorphic modification of boron nitride

NASA Astrophysics Data System (ADS)

Pokropivny, V. V.; Smolyar, A. S.; Ovsiannikova, L. I.; Pokropivny, A. V.; Kuts, V. A.; Lyashenko, V. I.; Nesterenko, Yu. V.

2013-04-01

A new previously unknown phase of boron nitride with a hardness of 0.41-0.63 GPa has been pre-pared by the supercritical fluid synthesis. The presence of a new phase is confirmed by the X-ray spectra and IR absorption spectra, where new reflections and bands are distinguished. The fundamental reflection of the X-ray diffraction pattern is d = 0.286-0.291 nm, and the characteristic band in the infrared absorption spectrum is observed at 704 cm-1. The X-ray diffraction pattern and the experimental and theoretical infrared absorption spectra show that a new synthesized boron nitride phase can be a cluster crystal (space group 211) with a simple cubic lattice. Cage clusters of a fullerene-like morphology B24N24 with point symmetry O are arranged in lattice sites.

Upper limits for X-ray emission from Jupiter as measured from the Copernicus satellite

NASA Technical Reports Server (NTRS)

Vesecky, J. F.; Culhane, J. L.; Hawkins, F. J.

1975-01-01

X-ray telescopic observations are made by the Copernicus satellite for detecting X-ray emission from Jupiter analogous to X-rays from terrestrial aurorae. Values of X-ray fluxes recorded by three Copernicus detectors covering the 0.6 to 7.5 keV energy range are reported. The detectors employed are described and the times at which the observations were made are given. Resulting upper-limit spectra are compared with previous X-ray observations of Jupiter. The upper-limit X-ray fluxes are discussed in terms of magnetospheric activity on Jupiter.

Synchrotron Powder X-ray Diffraction Study of the Structure and Dehydration Behavior of Sepiolite

NASA Astrophysics Data System (ADS)

Post, J. E.; Bish, D. L.; Heaney, P. J.

2006-05-01

Sepiolite is a hydrous Mg-silicate clay mineral with fibrous morphology that typically occurs as fine-grained, poorly crystalline masses. It occurs in a wide variety of geological environments and has been mined for centuries because of its many uses, e.g. in the pharmaceutical, fertilizer, and pesticide industries. Its versatile functionality derives from the large surface area and microporosity that are characteristic of the material. In recent years, sepiolite has received considerable attention with regard to the adsorption of organics, for use as a support for catalysts, as a molecular sieve, and as an inorganic membrane for ultrafiltration. Because of its fine-grained and poorly crystalline nature, it has not been possible to study sepiolite's crystal structure using single-crystal X-ray diffraction methods, and consequently many details of the structure are still not well known. In this study, Rietveld refinements using synchrotron powder X-ray diffraction data were used to investigate the crystal structure and dehydration behavior of sepiolite from Durango, Mexico. The room- temperature (RT) sepiolite structure in air compares well with previous models but reveals an additional zeolitic water site. The RT structure under vacuum retained only ~1/8 of the zeolitic water and the volume decreased 1.3%. Real-time, temperature-resolved synchrotron powder X-ray diffraction data and Rietveld refinements were used to investigate the behavior of the sepiolite structure from 300 to 925 K. Rietveld refinements revealed that most of the zeolitic water is lost by ~390 K, accompanied by a decrease in the a and c unit-cell parameters. Above ~600 K the sepiolite structure folds as one-half of the crystallographically bound water is lost. Rietveld refinements of the "anhydrous" sepiolite structure reveal that, in general, unit-cell parameters a, b, â and volume steadily decrease with increasing temperature; there is an obvious change in slope at ~820 K suggesting a phase transformation coinciding with the loss of the remaining bound water molecule. These temperature-resolved real-time powder X-ray diffraction studies provide the first comprehensive description of the sepiolite structure and the complex changes it undergoes as it dehydrates. Additional heating and cooling in situ powder X-ray diffraction experiments are underway in order to investigate the relative stabilities and rehydration behaviors of the partially-hydrated sepiolite phases. The results of these studies should provide a more robust model for predicting and modifying the properties and applications of this critical industrial material and environmentally important mineral.

The super-orbital modulation of supergiant high-mass X-ray binaries

NASA Astrophysics Data System (ADS)

Bozzo, E.; Oskinova, L.; Lobel, A.; Hamann, W.-R.

2017-10-01

The long-term X-ray light curves of classical supergiant X-ray binaries and supergiant fast X-ray transients show relatively similar super-orbital modulations, which are still lacking a sound interpretation. We propose that these modulations are related to the presence of corotating interaction regions (CIRs) known to thread the winds of OB supergiants. To test this hypothesis, we couple the outcomes of three-dimensional (3D) hydrodynamic models for the formation of CIRs in stellar winds with a simplified recipe for the accretion onto a neutron star. The results show that the synthetic X-ray light curves are indeed modulated by the presence of the CIRs. The exact period and amplitude of these modulations depend on a number of parameters governing the hydrodynamic wind models and on the binary orbital configuration. To compare our model predictions with the observations, we apply the 3D wind structure previously shown to well explain the appearance of discrete absorption components in the UV time series of a prototypical B0.5I-type supergiant. Using the orbital parameters of IGRJ 16493-4348, which has the same B0.5I donor spectral type, the period and modulations in the simulated X-ray light curve are similar to the observed ones, thus providing support to our scenario. We propose that the presence of CIRs in donor star winds should be considered in future theoretical and simulation efforts of wind-fed X-ray binaries.

A Compact X-Ray System for Macromolecular Crystallography. 5

NASA Technical Reports Server (NTRS)

Gubarev, Mikhail; Ciszak, Ewa; Ponomarev, Igor; Joy, Marshall

2000-01-01

We describe the design and performance of a high flux x-ray system for macromolecular crystallography that combines a microfocus x-ray generator (40 gm FWHM spot size at a power level of 46.5Watts) and a 5.5 mm focal distance polycapillary optic. The Cu K(sub alpha) X-ray flux produced by this optimized system is 7.0 times above the X-ray flux previously reported. The X-ray flux from the microfocus system is also 3.2 times higher than that produced by the rotating anode generator equipped with a long focal distance graded multilayer monochromator (Green optic; CMF24-48-Cu6) and 30% less than that produced by the rotating anode generator with the newest design of graded multilayer monochromator (Blue optic; CMF12-38-Cu6). Both rotating anode generators operate at a power level of 5000 Watts, dissipating more than 100 times the power of our microfocus x-ray system. Diffraction data collected from small test crystals are of high quality. For example, 42,540 reflections collected at ambient temperature from a lysozyme crystal yielded R(sub sym) 5.0% for the data extending to 1.7A, and 4.8% for the complete set of data to 1.85A. The amplitudes of the reflections were used to calculate difference electron density maps that revealed positions of structurally important ions and water molecules in the crystal of lysozyme using the phases calculated from the protein model.

Elucidating the alkaline oxygen evolution reaction mechanism on platinum

DOE PAGES

Favaro, M.; Valero-Vidal, C.; Eichhorn, J.; ...

2017-03-07

Understanding the interplay between surface chemistry, electronic structure, and reaction mechanism of the catalyst at the electrified solid/liquid interface will enable the design of more efficient materials systems for sustainable energy production. The substantial progress in operando characterization, particularly using synchrotron based X-ray spectroscopies, provides the unprecedented opportunity to uncover surface chemical and structural transformations under various (electro)chemical reaction environments. In this work, we study a polycrystalline platinum surface under oxygen evolution conditions in an alkaline electrolyte by means of ambient pressure X-ray photoelectron spectroscopy performed at the electrified solid/liquid interface. We elucidate previously inaccessible aspects of the surface chemistrymore » and structure as a function of the applied potential, allowing us to propose a reaction mechanism for oxygen evolution on a platinum electrode in alkaline solutions.« less

X-ray diffraction of solid tin to 1.2 TPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lazicki, A.; Rygg, J. R.; Coppari, F.

2015-08-12

In this study, we report direct in situ measurements of the crystal structure of tin between 0.12 and 1.2 TPa, the highest stress at which a crystal structure has ever been observed. Using angle-dispersive powder x-ray diffraction, we find that dynamically compressed Sn transforms to the body-centered-cubic (bcc) structure previously identified by ambient-temperature quasistatic-compression studies and by zero-kelvin density-functional theory predictions between 0.06 and 0.16 TPa. However, we observe no evidence for the hexagonal close-packed (hcp) phase found by those studies to be stable above 0.16 TPa. Instead, our results are consistent with bcc up to 1.2 TPa. We conjecturemore » that at high temperature bcc is stabilized relative to hcp due to differences in vibrational free energy.« less

Experimental Observation of Bulk Liquid Water Structure in ``No Man's Land''

NASA Astrophysics Data System (ADS)

Sellberg, Jonas; McQueen, Trevor; Huang, Congcong; Loh, Duane; Laksmono, Hartawan; Sierra, Raymond; Hampton, Christina; Starodub, Dmitri; Deponte, Daniel; Martin, Andrew; Barty, Anton; Wikfeldt, Thor; Schlesinger, Daniel; Pettersson, Lars; Beye, Martin; Nordlund, Dennis; Weiss, Thomas; Feldkamp, Jan; Caronna, Chiara; Seibert, Marvin; Messerschmidt, Marc; Williams, Garth; Boutet, Sebastien; Bogan, Michael; Nilsson, Anders

2013-03-01

Experiments on pure bulk water below about 235 K have so far been difficult: water crystallization occurs very rapidly below the homogeneous nucleation temperature of 232 K and above 160 K, leading to a ``no man's land'' devoid of experimental results regarding the structure. Here, we demonstrate a new, general experimental approach to study the structure of liquid states at supercooled conditions below their limit of homogeneous nucleation. We use femtosecond x-ray pulses generated by the LCLS x-ray laser to probe evaporatively cooled droplets of supercooled bulk water and find experimental evidence for the existence of metastable bulk liquid water down to temperatures of 223 K in the previously largely unexplored ``no man's land''. We acknoweledge NSF (CHE-0809324), Office of Basic Energy Sciences, and the Swedish Research Council for financial support.

Transmission X-ray microscopy (TXM) reveals the nanostructure of a smectite gel.

PubMed

Zbik, Marek S; Martens, Wayde N; Frost, Ray L; Song, Yen-Fang; Chen, Yi-Ming; Chen, Jian-Hua

2008-08-19

The unusual behavior of smectites, the ability to change volume when wetted (swelling) or dried (shrinking), makes soil rich in smectites very unstable and dangerous for the building industry because of the movement of building foundations and poor slope stability. These macroscopic properties are dominated by the structural arrangement of the smectites' finest fraction. Here, we show in three dimensions how the swelling phenomenon in smectite, caused by a combination of hydratation and electrostatic forces, may expand the dry smectite volume not 10-fold, as previously thought, but to more than 1000-fold. A new technique, transmission X-ray microscopy, makes it possible to investigate the internal structure and 3-D tomographic reconstruction of clay aggregates. This reveals, for the first time, the smectite gel arrangement in the voluminous cellular tactoid structure within a natural aqueous environment.

Structural properties of barium stannate

NASA Astrophysics Data System (ADS)

Phelan, D.; Han, F.; Lopez-Bezanilla, A.; Krogstad, M. J.; Gim, Y.; Rong, Y.; Zhang, Junjie; Parshall, D.; Zheng, H.; Cooper, S. L.; Feygenson, M.; Yang, Wenge; Chen, Yu-Sheng

2018-06-01

BaSnO3 has attracted attention as a transparent conducting oxide with high room temperature carrier mobility. We report a series of measurements that were carried out to assess the structure of BaSnO3 over a variety of length scales. Measurements included single crystal neutron and x-ray diffraction, Rietveld and pair distribution analysis of neutron powder diffraction, Raman scattering, and high-pressure x-ray diffraction. Results from the various diffraction probes indicate that both the long-range and local structures are consistent with the cubic symmetry. The diffraction data under pressure was consistent with a robustly cubic phase up to 48.9 GPa, which is supported by density functional calculations. Additionally, transverse phonon velocities were determined from measured dispersion of the transverse acoustic phonon branches, the results of which are in good agreement with previous theoretical estimates and ultrasound measurements.

Active x-ray optics for high resolution space telescopes

NASA Astrophysics Data System (ADS)

Doel, Peter; Atkins, Carolyn; Brooks, D.; Feldman, Charlotte; Willingale, Richard; Button, Tim; Rodriguez Sanmartin, Daniel; Meggs, Carl; James, Ady; Willis, Graham; Smith, Andy

2017-11-01

The Smart X-ray Optics (SXO) Basic Technology project started in April 2006 and will end in October 2010. The aim is to develop new technologies in the field of X-ray focusing, in particular the application of active and adaptive optics. While very major advances have been made in active/adaptive astronomical optics for visible light, little was previously achieved for X-ray optics where the technological challenges differ because of the much shorter wavelengths involved. The field of X-ray astronomy has been characterized by the development and launch of ever larger observatories with the culmination in the European Space Agency's XMM-Newton and NASA's Chandra missions which are currently operational. XMM-Newton uses a multi-nested structure to provide modest angular resolution ( 10 arcsec) but large effective area, while Chandra sacrifices effective area to achieve the optical stability necessary to provide sub-arc second resolution. Currently the European Space Agency (ESA) is engaged in studies of the next generation of X-ray space observatories, with the aim of producing telescopes with increased sensitivity and resolution. To achieve these aims several telescopes have been proposed, for example ESA and NASA's combined International X-ray Observatory (IXO), aimed at spectroscopy, and NASA's Generation-X. In the field of X-ray astronomy sub 0.2 arcsecond resolution with high efficiency would be very exciting. Such resolution is unlikely to be achieved by anything other than an active system. The benefits of a such a high resolution would be important for a range of astrophysics subjects, for example the potential angular resolution offered by active X-ray optics could provide unprecedented structural imaging detail of the Solar Wind bowshock interaction of comets, planets and similar objects and auroral phenomena throughout the Solar system using an observing platform in low Earth orbit. A major aim of the SXO project was to investigate the production of thin actively controlled grazing incident optics for the next generation of X-ray space telescopes. Currently telescope systems are limited in the resolution and sensitivity by the optical quality of the thin shell optics used. As part of its research programme an actively controlled prototype X-ray thin shell telescope optic of dimensions 30x10cm has been developed to bench test the technology. The design is based on thin nickel shells bonded to shaped piezo-electric unimorph actuators made from lead zirconate titanate (PZT).

X-ray spectra and electron structure of A15 compounds of transition metals

NASA Astrophysics Data System (ADS)

Kurmaev, E. Z.; Iarmoshenko, Iu. M.

1988-01-01

Results of an X-ray emission spectroscopy study of the electron structure of A15 compounds are reported. In particular, attention is given to the X-ray spectra of A15 compounds of the A3B type with transition and nontransition elements, effect of alloying on the formation of the electron structure of ternary phases, and effect of atomic ordering in the X-ray spectra of A15 compounds with changes in heat treament and concentration. The X-ray spectra of A15 compounds irradiated by fast neutrons are also examined.

X-ray absorption spectroscopy: EXAFS (Extended X-ray Absorption Fine Structure) and XANES (X-ray Absorption Near Edge Structure)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alp, E.E.; Mini, S.M.; Ramanathan, M.

1990-04-01

The x-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. It has also played an important role in the discovery and systematization of rare-earth elements. The discovery of synchrotron radiation in 1952, and later the availability of broadly tunable synchrotron based x-ray sources have revitalized this technique since the 1970's. The correct interpretation of the oscillatory structure in the x-ray absorption cross-section above the absorption edge by Sayers et. al. has transformed XAS from a spectroscopic tool to a structural technique. EXAFS (Extended X-raymore » Absorption Fine Structure) yields information about the interatomic distances, near neighbor coordination numbers, and lattice dynamics. An excellent description of the principles and data analysis techniques of EXAFS is given by Teo. XANES (X-ray Absorption Near Edge Structure), on the other hand, gives information about the valence state, energy bandwidth and bond angles. Today, there are about 50 experimental stations in various synchrotrons around the world dedicated to collecting x-ray absorption data from the bulk and surfaces of solids and liquids. In this chapter, we will give the basic principles of XAS, explain the information content of essentially two different aspects of the absorption process leading to EXAFS and XANES, and discuss the source and samples limitations.« less

The Secret Lives of Cepheids: δ Cep—The Prototype of a New Class of Pulsating X-Ray Variable Stars

NASA Astrophysics Data System (ADS)

Engle, Scott G.; Guinan, Edward F.; Harper, Graham M.; Cuntz, Manfred; Remage Evans, Nancy; Neilson, Hilding R.; Fawzy, Diaa E.

2017-03-01

From our Secret Lives of Cepheids program, the prototype Classical Cepheid, δ Cep, is found to be an X-ray source with periodic pulsation-modulated X-ray variations. This finding complements our earlier reported phase-dependent FUV-UV emissions of the star that increase ˜10-20 times with highest fluxes at ˜ 0.90{--}0.95φ , just prior to maximum brightness. Previously δ Cep was found as potentially X-ray variable, using XMM-Newton observations. Additional phase-constrained data were secured with Chandra near X-ray emission peak, to determine if the emission and variability were pulsation-phase-specific to δ Cep and not transient or due to a possible coronally active, cool companion. The Chandra data were combined with prior XMM-Newton observations, and were found to very closely match the previously observed X-ray behavior. From the combined data set, a ˜4 increase in X-ray flux is measured, reaching a peak {L}{{X}} = 1.7 × 1029 erg s-1 near 0.45ϕ. The precise X-ray flux phasing with the star’s pulsation indicates that the emissions arise from the Cepheid and not from a companion. However, it is puzzling that the maximum X-ray flux occurs ˜0.5ϕ (˜3 days) later than the FUV-UV maximum. There are several other potential Cepheid X-ray detections with properties similar to δ Cep, and comparable X-ray variability is indicated for two other Cepheids: β Dor and V473 Lyr. X-ray generating mechanisms in δ Cep and other Cepheids are discussed. If additional Cepheids are confirmed to show phased X-ray variations, then δ Cep will be the prototype of a new class of pulsation-induced X-ray variables.

Vaccinia Virus Immunomodulator A46: A Lipid and Protein-Binding Scaffold for Sequestering Host TIR-Domain Proteins

PubMed Central

Radakovics, Katharina; Smith, Terry K.; Bobik, Nina; Round, Adam; Djinović-Carugo, Kristina; Usón, Isabel

2016-01-01

Vaccinia virus interferes with early events of the activation pathway of the transcriptional factor NF-kB by binding to numerous host TIR-domain containing adaptor proteins. We have previously determined the X-ray structure of the A46 C-terminal domain; however, the structure and function of the A46 N-terminal domain and its relationship to the C-terminal domain have remained unclear. Here, we biophysically characterize residues 1–83 of the N-terminal domain of A46 and present the X-ray structure at 1.55 Å. Crystallographic phases were obtained by a recently developed ab initio method entitled ARCIMBOLDO_BORGES that employs tertiary structure libraries extracted from the Protein Data Bank; data analysis revealed an all β-sheet structure. This is the first such structure solved by this method which should be applicable to any protein composed entirely of β-sheets. The A46(1–83) structure itself is a β-sandwich containing a co-purified molecule of myristic acid inside a hydrophobic pocket and represents a previously unknown lipid-binding fold. Mass spectrometry analysis confirmed the presence of long-chain fatty acids in both N-terminal and full-length A46; mutation of the hydrophobic pocket reduced the lipid content. Using a combination of high resolution X-ray structures of the N- and C-terminal domains and SAXS analysis of full-length protein A46(1–240), we present here a structural model of A46 in a tetrameric assembly. Integrating affinity measurements and structural data, we propose how A46 simultaneously interferes with several TIR-domain containing proteins to inhibit NF-κB activation and postulate that A46 employs a bipartite binding arrangement to sequester the host immune adaptors TRAM and MyD88. PMID:27973613

Digital enhancement of X-rays for NDT

NASA Technical Reports Server (NTRS)

Butterfield, R. L.

1980-01-01

Report is "cookbook" for digital processing of industrial X-rays. Computer techniques, previously used primarily in laboratory and developmental research, have been outlined and codified into step by step procedures for enhancing X-ray images. Those involved in nondestructive testing should find report valuable asset, particularly is visual inspection is method currently used to process X-ray images.

Probing solid catalysts under operating conditions: electrons or X-rays?

PubMed

Thomas, John Meurig; Hernandez-Garrido, Juan-Carlos

2009-01-01

Seeing is believing: In light of recent advances, the pros and cons of using electrons and X-rays for in situ studies of catalysts are analyzed: by using X-rays the structure of bound reactants at steady state are obtained from extended X-ray adsorption fine structure spectroscopy (EXAFS) data (see graph), thereby affording mechanistic insights.

Synchrotron Radiation from Outer Space and the Chandra X-Ray Observatory

NASA Technical Reports Server (NTRS)

Weisskopf, M. C.

2006-01-01

The universe provides numerous extremely interesting astrophysical sources of synchrotron X radiation. The Chandra X-ray Observatory and other X-ray missions provide powerful probes of these and other cosmic X-ray sources. Chandra is the X-ray component of NASA's Great Observatory Program which also includes the Hubble Space telescope, the Spitzer Infrared Telescope Facility, and the now defunct Compton Gamma-Ray Observatory. The Chandra X-Ray Observatory provides the best angular resolution (sub-arcsecond) of any previous, current, or planned (for the foreseeable near future) space-based X-ray instrumentation. We present here a brief overview of the technical capability of this X-Ray observatory and some of the remarkable discoveries involving cosmic synchrotron sources.

First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zi; Zhang, Shen; Kang, Wei

2016-05-15

X-ray absorption spectrum is a powerful tool for atomic structure detection on warm dense matter. Here, we perform first-principles molecular dynamics and X-ray absorption spectrum calculations on warm dense nitrogen along a Hugoniot curve. From the molecular dynamics trajectory, the detailed atomic structures are examined for each thermodynamical condition. The K-shell X-ray absorption spectrum is calculated, and its changes with temperature and pressure along the Hugoniot curve are discussed. The warm dense nitrogen systems may contain isolated nitrogen atoms, N{sub 2} molecules, and nitrogen clusters, which show quite different contributions to the total X-ray spectrum due to their different electronmore » density of states. The changes of X-ray spectrum along the Hugoniot curve are caused by the different nitrogen structures induced by the temperature and the pressure. Some clear signatures on X-ray spectrum for different thermodynamical conditions are pointed out, which may provide useful data for future X-ray experiments.« less

Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules

PubMed Central

Rehman, Abida

2018-01-01

Pharmaceutical salt solvates (dimethyl sulfoxide, DMSO) of the drug triamterene with the coformers acetic, succinic, adipic, pimelic, azelaic and nicotinic acid and ibuprofen are prepared by liquid-assisted grinding and solvent-evaporative crystallization. The modified ΔpK a rule as proposed by Cruz-Cabeza [(2012 ▸). CrystEngComm, 14, 6362–6365] is in close agreement with the results of this study. All adducts were characterized by X-ray diffraction and thermal analytical techniques, including single-crystal X-ray diffraction, powder X-ray diffraction, differential scanning calorimetry and thermal gravimetric analysis. Hydrogen-bonded motifs combined to form a variety of extended tapes and sheets. Analysis of the crystal structures showed that all adducts existed as salt solvates and contained the amino­pyridinium–carboxyl­ate heterodimer, except for the solvate containing triamterene, ibuprofen and DMSO, as a result of the presence of a strong and stable hemitriamterenium duplex. A search of the Cambridge Structural Database (CSD 5.36, Version 1.18) to determine the frequency of occurrence of the putative supramolecular synthons found in this study showed good agreement with previous work. PMID:29755747

Deep X-ray Observations of an Ongoing Merger and 400 Myr of AGN Activity in Cygnus A

NASA Astrophysics Data System (ADS)

Wise, Michael W.; De Vries, Martijn; Nulsen, Paul; Snios, Bradford; Birkinshaw, Mark; Worrall, Diana; Duffy, Ryan; Halbesma, Timo; Donnert, Julius; Hardcastle, Martin

2017-08-01

We present a detailed spatial and spectral analysis of the large-scale X-ray emission associated with the merging cluster of galaxies containing the powerful Cygnus A radio galaxy. Using a new 1 Msec exposure from the ongoing Chandra XVP project, we have mapped the large-scale structure, temperature and abundance of the ICM in a 1 Mpc x 1 Mpc region surrounding Cygnus A. This new, deep exposure resolves unprecedented detail in the jets, lobes, and cocoon shock associated with Cygnus A, and provides new insights into the emission mechanisms that produce these features as well as implications for the ongoing activity of the central AGN. On larger scales, these new data reveal complex and dramatic temperature, pressure, entropy and metallicity structure in the ICM surrounding Cygnus A. We confirm the presence of large-scale X-ray emission associated with the two merging cluster components seen previously in lower resolution data. The temperature structure on the scale of the merger exhibits an asymmetric enhancement to the NW consistent with projected hotter gas from the merger shock. Using the derived density and temperature profiles in the two merging sub-cluster components as inputs, we have constructed a grid of hydro-dynamical simulations to constrain the geometry of the merger system. These models imply a pre-merger system with a 1:1 mass ratio at the virial radius with an inclination toward the line of sight of 35-45 deg. In addition to the merger-induced temperature asymmetry, we find evidence for additional surface brightness and temperature features indicative of previous outburst activity in Cygnus A over the past 400 Myr. Based on the location and strength of these features, we derive the energy associated with these previous outbursts and place constraints on the growth of the black hole in Cygnus A over that timescale.

Half-value-layer increase owing to tungsten buildup in the x-ray tube: fact or fiction.

PubMed

Stears, J G; Felmlee, J P; Gray, J E

1986-09-01

The half-value layer (HVL) of an x-ray beam is generally believed to increase with x-ray tube use. This increase in HVL has previously been attributed to the hardening of the x-ray beam as a result of a buildup of tungsten on the x-ray tube glass window. Radiographs and HVL measurements were obtained to determine the effect of tungsten deposited on the x-ray tube windows. This work, along with the HVL data from approximately 200 functioning x-ray tubes used for all applications that were monitored for more than 8 years, indicated there is no significant increase in HVL with diagnostic x-ray tube use.

Transmission X-ray microscopy for full-field nano-imaging of biomaterials

PubMed Central

ANDREWS, JOY C; MEIRER, FLORIAN; LIU, YIJIN; MESTER, ZOLTAN; PIANETTA, PIERO

2010-01-01

Imaging of cellular structure and extended tissue in biological materials requires nanometer resolution and good sample penetration, which can be provided by current full-field transmission X-ray microscopic techniques in the soft and hard X-ray regions. The various capabilities of full-field transmission X-ray microscopy (TXM) include 3D tomography, Zernike phase contrast, quantification of absorption, and chemical identification via X-ray fluorescence and X-ray absorption near edge structure (XANES) imaging. These techniques are discussed and compared in light of results from imaging of biological materials including microorganisms, bone and mineralized tissue and plants, with a focus on hard X-ray TXM at ≤ 40 nm resolution. PMID:20734414

X-ray Fluorescence Holography: Principles, Apparatus, and Applications

NASA Astrophysics Data System (ADS)

Hayashi, Kouichi; Korecki, Pawel

2018-06-01

X-ray fluorescence holography (XFH) is an atomic structure determination technique that combines the capabilities of X-ray diffraction and X-ray fluorescence spectroscopy. It provides a unique means of gaining fully three-dimensional information about the local atomic structure and lattice site positions of selected elements inside compound samples. In this work, we discuss experimental and theoretical aspects that are essential for the efficient recording and analysis of X-ray fluorescence holograms and review the most recent advances in XFH. We describe experiments performed with brilliant synchrotron radiation as well as with tabletop setups that employ conventional X-ray tubes.

The solely motif-doped Au36-xAgx(SPh-tBu)24 (x = 1-8) nanoclusters: X-ray crystal structure and optical properties.

PubMed

Fan, Jiqiang; Song, Yongbo; Chai, Jinsong; Yang, Sha; Chen, Tao; Rao, Bo; Yu, Haizhu; Zhu, Manzhou

2016-08-18

We report the observation of new doping behavior in Au36-xAgx(SR)24 nanoclusters (NCs) with x = 1 to 8. The atomic arrangements of Au and Ag atoms are determined by X-ray crystallography. The new gold-silver bimetallic NCs share the same framework as that of the homogold counterpart, i.e. possessing an fcc-type Au28 kernel, four dimeric AuAg(SR)3 staple motifs and twelve simple bridging SR ligands. Interestingly, all the Ag dopants in the Au36-xAgx(SR)24 NCs are selectively incorporated into the surface motifs, which is in contrast to the previously reported Au-Ag alloy structures with the Ag dopants preferentially displacing the core gold atoms. This distinct doping behavior implies that the previous assignments of an fcc Au28 core with four dimers and 12 bridging thiolates for Au36(SR)24 are more justified than other assignments of core vs. surface motifs. The UV-Vis adsorption spectrum of Au36-xAgx(SR)24 is almost the same as that of Au36(SR)24, indicating that the Ag dopants in the motifs do not change the optical properties. The similar UV-Vis spectra are further confirmed by TD-DFT calculations. DFT also reveals that the energies of the HOMO and LUMO of the motif-doped AuAg alloy NC are comparable to those of the homogold Au36 NC, indicating that the electronic structure is not disturbed by the motif Ag dopants. Overall, this study reveals a new silver-doping mode in alloy NCs.

Investigating the Defect Structures in Transparent Conducting Oxides Using X-ray and Neutron Scattering Techniques

PubMed Central

González, Gabriela B.

2012-01-01

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). PMID:28817010

Development of X-ray laser media. Measurement of gain and development of cavity resonators for wavelengths near 130 angstroms, volume 3

NASA Astrophysics Data System (ADS)

Forsyth, J. M.

1983-02-01

In this document the authors summarize our investigation of the reflecting properties of X-ray multilayers. The breadth of this investigation indicates the utility of the difference equation formalism in the analysis of such structure. The formalism is particularly useful in analyzing multilayers whose structure is not a simple periodic bilayer. The complexity in structure can be either intentional, as in multilayers made by in-situ reflectance monitoring, or it can be a consequence of a degradation mechanism, such as random thickness errors or interlayer diffusion. Both the analysis of thickness errors and the analysis of interlayer diffusion are conceptually simple, effectively one dimensional problems that are straightforwared to pose. In the authors analysis of in-situ reflectance monitoring, they provide a quantitative understanding of an experimentally successful process that has not previously been treated theoretically. As X-ray multilayers come into wider use, there will undoubtedly be an increasing need for a more precise understanding of their reflecting properties. Thus, it is expected that in the future more detailed modeling will be undertaken of less easily specified structures than those above. The authors believe that their formalism will continue to prove useful in the modeling of these more complex structures. One such structure that may be of interest is that of a multilayer degraded by interfacial roughness.

Structure and mechanical properties of as-received and heat-treated stainless steel orthodontic wires.

PubMed

Khier, S E; Brantley, W A; Fournelle, R A

1988-03-01

A combination of x-ray diffraction analysis with mechanical testing in tension and bending has been used to investigate the metallurgical structures and mechanical properties for as-received and heat-treated stainless steel orthodontic wires. Two different proprietary wire types were selected, having a wide range in cross-sectional dimensions: 0.016-, 0.030-, and 0.050- or 0.051-inch diameters, and 0.017 X 0.025-inch rectangular specimens. Heat treatments were performed for 10 minutes in air at temperatures of 700 degrees, 900 degrees, and 1100 degrees F. The x-ray diffraction patterns showed that the as-received 0.016-inch diameter and 0.017 X 0.025-inch wires of both proprietary types consisted of a two-phase structure containing a martensitic phase along with the austenitic phase. This duplex structure was converted entirely to austenite with heat treatment for one wire type, but persisted after heat treatment for the other wire type. The largest diameter, 0.050- or 0.051-inch, wires of both types were single-phase austenitic structure for both the as-received and heat-treated conditions. Evidence of substantial preferred crystallographic orientation or texturing in these orthodontic wires was also found by x-ray diffraction. As in our previous studies, the modulus of elasticity in bending was significantly less than the value obtained in tension for only the smaller cross-sectional wires. The 0.05 radian flexural yield strength correlated more closely with the 0.2% offset yield strength in tension than with the yield strength for 0.05% and 0.1% permanent offsets.

X-ray structure investigation of some substituted indoles, and the x-ray crystal of 1,1'-bishomocubane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quarles, William G.

1970-05-01

The crystal structures of 5-methoxytryptamine, melatonin, and the p-bromobenzoate of 1,1'-bishomocubane have been solved by x-ray diffraction methods. A computer program for the trial and error solution of crystal structures is also described here.

Infrared properties of serendipitous X-ray quasars

NASA Technical Reports Server (NTRS)

Neugebauer, G.; Soifer, B. T.; Matthews, K.; Margon, B.; Chanan, G. A.

1982-01-01

Near infrared measurements were obtained of 30 quasars originally found serendipitously as X-ray sources in fields of other objects. The observations show that the infrared characteristics of these quasars do not differ significantly from those of quasars selected by other criteria. Because this X-ray selected sample is subject to different selection biases than previous radio and optical surveys, this conclusion is useful in validating previous inferences regarding the infrared colors of 'typical' quasars.

X-ray Scattering Combined with Coordinate-Based Analyses for Applications in Natural and Artificial Photosynthesis

PubMed Central

Tiede, David M.; Mardis, Kristy L.; Zuo, Xiaobing

2009-01-01

Advances in x-ray light sources and detectors have created opportunities for advancing our understanding of structure and structural dynamics for supramolecular assemblies in solution by combining x-ray scattering measurement with coordinate-based modeling methods. In this review the foundations for x-ray scattering are discussed and illustrated with selected examples demonstrating the ability to correlate solution x-ray scattering measurements to molecular structure, conformation, and dynamics. These approaches are anticipated to have a broad range of applications in natural and artificial photosynthesis by offering possibilities for structure resolution for dynamic supramolecular assemblies in solution that can not be fully addressed with crystallographic techniques, and for resolving fundamental mechanisms for solar energy conversion by mapping out structure in light-excited reaction states. PMID:19636808

Far Ultraviolet Spectroscopic Explorer Observations of the Seyfert 1.5 Galaxy NGC 5548 in a Low State

NASA Technical Reports Server (NTRS)

Brotherton, M. S.; Green, R. F.; Kriss, G. A.; Oegerle, W.; Kaiser, M. E.; Zheng, W.; Hutchings, J. B.; Fisher, Richard R. (Technical Monitor)

2001-01-01

We present far-ultraviolet spectra of the Seyfert 1.5 galaxy NGC 5548 obtained in 2000 June with the Far Ultraviolet Spectroscopic Explorer (FUSE). Our data span the observed wavelength range 915-1185 A at a resolution of approximately 20 km s(exp -1). The spectrum shows a weak continuum and emission from O VI (lambda)(lambda)1032, 1038, C III (lambda)977, and He II (lambda)1085. The FUSE data were obtained when the AGN (Active Galactic Nuclei) was in a low state, which has revealed strong, narrow O VI emission lines. We also resolve intrinsic, associated absorption lines of O VI and the Lyman series. Several distinct kinematic components are present, spanning a velocity range of approximately 0 to -1300 km s(exp -1) relative to systemic, with kinematic structure similar to that seen in previous observations of longer wavelength ultraviolet (UV) lines. We explore the relationships between the far-UV (ultraviolet) absorbers and those seen previously in the UV and X-rays. We find that the high-velocity UV absorption component is consistent with being low-ionization, contrary to some previous claims, and is consistent with its non-detection in high-resolution X-ray spectra. The intermediate velocity absorbers, at -300 to -400 km s(exp -1), show H I and O VI column densities consistent with having contributions from both a high-ionization X-ray absorber and a low-ionization UV absorber. No single far-UV absorbing component can be solely identified with the X-ray absorber.

Serial data acquisition for the X-ray plasma diagnostics with selected GEM detector structures

NASA Astrophysics Data System (ADS)

Czarski, T.; Chernyshova, M.; Pozniak, K. T.; Kasprowicz, G.; Zabolotny, W.; Kolasinski, P.; Krawczyk, R.; Wojenski, A.; Zienkiewicz, P.

2015-10-01

The measurement system based on GEM—Gas Electron Multiplier detector is developed for X-ray diagnostics of magnetic confinement tokamak plasmas. The paper is focused on the measurement subject and describes the fundamental data processing to obtain reliable characteristics (histograms) useful for physicists. The required data processing have two steps: 1—processing in the time domain, i.e. events selections for bunches of coinciding clusters, 2—processing in the planar space domain, i.e. cluster identification for the given detector structure. So, it is the software part of the project between the electronic hardware and physics applications. The whole project is original and it was developed by the paper authors. The previous version based on 1-D GEM detector was applied for the high-resolution X-ray crystal spectrometer KX1 in the JET tokamak. The current version considers 2-D detector structures for the new data acquisition system. The fast and accurate mode of data acquisition implemented in the hardware in real time can be applied for the dynamic plasma diagnostics. Several detector structures with single-pixel sensors and multi-pixel (directional) sensors are considered for two-dimensional X-ray imaging. Final data processing is presented by histograms for selected range of position, time interval and cluster charge values. Exemplary radiation source properties are measured by the basic cumulative characteristics: the cluster position distribution and cluster charge value distribution corresponding to the energy spectra. A shorter version of this contribution is due to be published in PoS at: 1st EPS conference on Plasma Diagnostics

Resonant soft X-ray scattering on protein solutions

NASA Astrophysics Data System (ADS)

Ye, Dan; Le, Thinh; Wang, Cheng; Zwart, Peter; Gomez, Esther; Gomez, Enrique

Protein structure is crucial for biological function, such that characterizing protein folding and packing is important for the design of therapeutics and enzymes. We propose resonant soft X-ray scattering (RSOXS) as an approach to study proteins and other biological assemblies in solution. Calculations of the scattering contrast suggest that soft X-ray scattering is more sensitive than hard X-ray scattering, because of contrast generated at the absorption edges of constituent elements such as carbon, nitrogen and oxygen. We have examined the structure of bovine serum albumin (BSA) in solution by RSOXS. We find that by varying incident X-ray energies, we are able to achieve higher scattering contrast near the absorption edge. From our RSOXS scattering result we are able to reconstruct the structure of BSA in 3D. These RSOXS results also agree with hard X-ray experiments, including crystallographic data. Our study demonstrates the potential of RSOXS for studying protein structure in solution.

X-ray crystallography over the past decade for novel drug discovery - where are we heading next?

PubMed

Zheng, Heping; Handing, Katarzyna B; Zimmerman, Matthew D; Shabalin, Ivan G; Almo, Steven C; Minor, Wladek

2015-01-01

Macromolecular X-ray crystallography has been the primary methodology for determining the three-dimensional structures of proteins, nucleic acids and viruses. Structural information has paved the way for structure-guided drug discovery and laid the foundations for structural bioinformatics. However, X-ray crystallography still has a few fundamental limitations, some of which may be overcome and complemented using emerging methods and technologies in other areas of structural biology. This review describes how structural knowledge gained from X-ray crystallography has been used to advance other biophysical methods for structure determination (and vice versa). This article also covers current practices for integrating data generated by other biochemical and biophysical methods with those obtained from X-ray crystallography. Finally, the authors articulate their vision about how a combination of structural and biochemical/biophysical methods may improve our understanding of biological processes and interactions. X-ray crystallography has been, and will continue to serve as, the central source of experimental structural biology data used in the discovery of new drugs. However, other structural biology techniques are useful not only to overcome the major limitation of X-ray crystallography, but also to provide complementary structural data that is useful in drug discovery. The use of recent advancements in biochemical, spectroscopy and bioinformatics methods may revolutionize drug discovery, albeit only when these data are combined and analyzed with effective data management systems. Accurate and complete data management is crucial for developing experimental procedures that are robust and reproducible.

Infrared Applications of Semiconductors II: Symposium Held in Boston, Massachusetts on December 1-4, 1997

DTIC Science & Technology

1997-12-01

James (Academic Press, San Diego, CA 1995) pp. 335-381. 2. J. R. Heffelfinger, D. L. Medlin, H. Yoon, H. Hermon and R. B. James, in Hard X - ray and...J. P. Cozzatti and J. P. Schomer, in Hard X - ray and Gamma-rav Detector Physics. Optics and Application, edited by R. B. Hoover and F. P. Doty (SPIE...resolution compared to the best previous instrumentation in hard x - ray and gamma ray astronomy. Previous work has shown the good imaging and

Average and local crystal structures of (Ga 1–xZn x)(N 1–xO x) solid solution nanoparticles

DOE PAGES

Feygenson, Mikhail; Neuefeind, Joerg C.; Tyson, Trevor A.; ...

2015-11-06

We report the comprehensive study of the crystal structure of (Ga 1–xZn x)(N 1–xO x) solid solution nanoparticles by means of neutron and synchrotron x-ray scattering. In our study we used four different types of (Ga 1–xZn x)(N 1–xO x) nanoparticles, with diameters of 10–27 nm and x = 0.075–0.51, which show the narrow energy-band gaps from 2.21 to 2.61 eV. The Rietveld analysis of the neutron diffraction data revealed that the average crystal structure is the hexagonal wurtzite (space group P6 3mc), in agreement with previous reports on similar bulk materials. The pair-distribution function (PDF) analysis of the samemore » data found that the local structure is more disordered than the average one. It is best described by the model with a lower symmetry space group P1, where atoms are quasirandomly distorted from their nominal positions in the hexagonal wurtzite lattice.« less

RADIO AND DEEP CHANDRA OBSERVATIONS OF THE DISTURBED COOL CORE CLUSTER ABELL 133

DOE Office of Scientific and Technical Information (OSTI.GOV)

Randall, S. W.; Nulsen, P. E. J.; Forman, W. R.

2010-10-10

We present results based on new Chandra and multi-frequency radio observations of the disturbed cool core cluster Abell 133. The diffuse gas has a complex bird-like morphology, with a plume of emission extending from two symmetric wing-like features. The plume is capped with a filamentary radio structure that has been previously classified as a radio relic. X-ray spectral fits in the region of the relic indicate the presence of either high-temperature gas or non-thermal emission, although the measured photon index is flatter than would be expected if the non-thermal emission is from inverse Compton scattering of the cosmic microwave backgroundmore » by the radio-emitting particles. We find evidence for a weak elliptical X-ray surface brightness edge surrounding the core, which we show is consistent with a sloshing cold front. The plume is consistent with having formed due to uplift by a buoyantly rising radio bubble, now seen as the radio relic, and has properties consistent with buoyantly lifted plumes seen in other systems (e.g., M87). Alternatively, the plume may be a gas sloshing spiral viewed edge-on. Results from spectral analysis of the wing-like features are inconsistent with the previous suggestion that the wings formed due to the passage of a weak shock through the cool core. We instead conclude that the wings are due to X-ray cavities formed by displacement of X-ray gas by the radio relic. The central cD galaxy contains two small-scale cold gas clumps that are slightly offset from their optical and UV counterparts, suggestive of a galaxy-galaxy merger event. On larger scales, there is evidence for cluster substructure in both optical observations and the X-ray temperature map. We suggest that the Abell 133 cluster has recently undergone a merger event with an interloping subgroup, initialing gas sloshing in the core. The torus of sloshed gas is seen close to edge-on, leading to the somewhat ragged appearance of the elliptical surface brightness edge. We show that the additional buoyant force from a passing subcluster can have a significant effect on the rise trajectories of buoyant bubbles, although this effect alone cannot fully explain the morphology of Abell 133. The radio observations reveal a large-scale double-lobed structure not previously identified in the literature. We conclude that this structure represents a previously unreported background giant radio galaxy at z = 0.293, the northern lobe of which overlies the radio relic in the core of Abell 133. A rough estimate indicates that the contribution of this background lobe to the total radio emission in the region of the relic is modest (<13%).« less

Phosphor Scanner For Imaging X-Ray Diffraction

NASA Technical Reports Server (NTRS)

Carter, Daniel C.; Hecht, Diana L.; Witherow, William K.

1992-01-01

Improved optoelectronic scanning apparatus generates digitized image of x-ray image recorded in phosphor. Scanning fiber-optic probe supplies laser light stimulating luminescence in areas of phosphor exposed to x rays. Luminescence passes through probe and fiber to integrating sphere and photomultiplier. Sensitivity and resolution exceed previously available scanners. Intended for use in x-ray crystallography, medical radiography, and molecular biology.

X-RAY EMISSION LINE PROFILES FROM WIND CLUMP BOW SHOCKS IN MASSIVE STARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ignace, R.; Waldron, W. L.; Cassinelli, J. P.

2012-05-01

The consequences of structured flows continue to be a pressing topic in relating spectral data to physical processes occurring in massive star winds. In a preceding paper, our group reported on hydrodynamic simulations of hypersonic flow past a rigid spherical clump to explore the structure of bow shocks that can form around wind clumps. Here we report on profiles of emission lines that arise from such bow shock morphologies. To compute emission line profiles, we adopt a two-component flow structure of wind and clumps using two 'beta' velocity laws. While individual bow shocks tend to generate double-horned emission line profiles,more » a group of bow shocks can lead to line profiles with a range of shapes with blueshifted peak emission that depends on the degree of X-ray photoabsorption by the interclump wind medium, the number of clump structures in the flow, and the radial distribution of the clumps. Using the two beta law prescription, the theoretical emission measure and temperature distribution throughout the wind can be derived. The emission measure tends to be power law, and the temperature distribution is broad in terms of wind velocity. Although restricted to the case of adiabatic cooling, our models highlight the influence of bow shock effects for hot plasma temperature and emission measure distributions in stellar winds and their impact on X-ray line profile shapes. Previous models have focused on geometrical considerations of the clumps and their distribution in the wind. Our results represent the first time that the temperature distribution of wind clump structures are explicitly and self-consistently accounted for in modeling X-ray line profile shapes for massive stars.« less

X-ray magnetic circular dichroism and hard X-ray photoelectron spectroscopy of tetragonal Mn72Ge28 epitaxial thin film

NASA Astrophysics Data System (ADS)

Kim, Jinhyeok; Mizuguchi, Masaki; Inami, Nobuhito; Ueno, Tetsuro; Ueda, Shigenori; Takanashi, Koki

2018-04-01

An epitaxially grown Mn72Ge28 film with a tetragonal crystal structure was fabricated. It was clarified that the film had a perpendicular magnetization and a high perpendicular magnetic anisotropy energy of 14.3 Merg/cm3. The electronic structure was investigated by X-ray magnetic circular dichroism and hard X-ray photoelectron spectroscopy. The obtained X-ray magnetic circular dichroism spectrum revealed that the Mn orbital magnetic moment governed the magnetocrystalline anisotropy of the Mn72Ge28 film. A doublet structure was observed for the Mn 2p3/2 peak of hard X-ray photoelectron spectrum, indicating the spin exchange interaction between the 2p core-hole and 3d valence electrons.

History of Chandra X-Ray Observatory

NASA Image and Video Library

1999-09-01

After barely 2 months in space, the Chandra X-Ray Observatory (CXO) took this sturning image of the Crab Nebula, the spectacular remains of a stellar explosion, revealing something never seen before, a brilliant ring around the nebula's heart. The image shows the central pulsar surrounded by tilted rings of high-energy particles that appear to have been flung outward over a distance of more than a light-year from the pulsar. Perpendicular to the rings, jet-like structures produced by high-energy particles blast away from the pulsar. Hubble Space Telescope images have shown moving knots and wisps around the neutron star, and previous x-ray images have shown the outer parts of the jet and hinted at the ring structure. With CXO's exceptional resolution, the jet can be traced all the way in to the neutron star, and the ring pattern clearly appears. The image was made with CXO's Advanced Charge-Coupled Device (CCD) Imaging Spectrometer (ACIS) and High Energy Transmission Grating. The Crab Nebula, easily the most intensively studied object beyond our solar system, has been observed using virtually every astronomical instrument that could see that part of the sky

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Michael K; Parish, Chad M

Helium accumulation negatively impacts structural materials used in neutron-irradiated environments, such as fission and fusion reactors. Next-generation fission and fusion reactors will require structural materials, such as steels, resistant to large neutron doses yet see service temperatures in the range most affected by helium embrittlement. Previous work has indicated the difficulty of experimentally differentiating nanometer-sized helium bubbles from the Ti-Y-O rich nanoclustsers (NCs) in radiation-tolerant nanostructured ferritic alloys (NFAs). Because the NCs are expected to sequester helium away from grain boundaries and reduce embrittlement, experimental methods to study simultaneously the NC and bubble populations are needed. In this study, aberration-correctedmore » scanning transmission electron microscopy (STEM) results combining high-collection-efficiency X-ray spectrum images (SIs), multivariate statistical analysis (MVSA), and Fresnel-contrast bright-field STEM imaging have been used for such a purpose. Results indicate that Fresnel-contrast imaging, with careful attention to TEM-STEM reciprocity, differentiates bubbles from NCs, and MVSA of X-ray SIs unambiguously identifies NCs. Therefore, combined Fresnel-contrast STEM and X-ray SI is an effective STEM-based method to characterize helium-bearing NFAs.« less

Simulation the spatial resolution of an X-ray imager based on zinc oxide nanowires in anodic aluminium oxide membrane by using MCNP and OPTICS Codes

NASA Astrophysics Data System (ADS)

Samarin, S. N.; Saramad, S.

2018-05-01

The spatial resolution of a detector is a very important parameter for x-ray imaging. A bulk scintillation detector because of spreading of light inside the scintillator does't have a good spatial resolution. The nanowire scintillators because of their wave guiding behavior can prevent the spreading of light and can improve the spatial resolution of traditional scintillation detectors. The zinc oxide (ZnO) scintillator nanowire, with its simple construction by electrochemical deposition in regular hexagonal structure of Aluminum oxide membrane has many advantages. The three dimensional absorption of X-ray energy in ZnO scintillator is simulated by a Monte Carlo transport code (MCNP). The transport, attenuation and scattering of the generated photons are simulated by a general-purpose scintillator light response simulation code (OPTICS). The results are compared with a previous publication which used a simulation code of the passage of particles through matter (Geant4). The results verify that this scintillator nanowire structure has a spatial resolution less than one micrometer.

Increasing dissolution of trospium chloride by co-crystallization with urea

NASA Astrophysics Data System (ADS)

Skořepová, Eliška; Hušák, Michal; Čejka, Jan; Zámostný, Petr; Kratochvíl, Bohumil

2014-08-01

The search for various solid forms of an active pharmaceutical ingredient (API) is an important step in drug development. Our aim was to prepare co-crystals of trospium chloride, an anticholinergic drug used for the treatment of incontinence, and to investigate if they have advantageous properties for drug formulation. Phase identification was done by powder X-ray diffraction and single-crystal X-ray diffraction. The chemical composition was verified by solution NMR and the dissolution rate of the prepared phases was studied by IDR (intrinsic dissolution rate). For further analysis of phase stability and transitions, combined thermal analysis and temperature-resolved X-ray powder diffraction were used. Urea was selected as a co-crystallization partner. Trospium chloride urea (1:1) co-crystal was prepared by a solvent evaporation. From single-crystal data, the co-crystal structure was solved in a space group P21/c and compared to previously published structures of trospium chloride. Intrinsic dissolution rate revealed that the co-crystal dissolves 32% faster than pure API. However, its low thermal and pressure stability makes it a challenging choice for the final drug formulation.

Recent X-ray Variability of Eta Car Approaching The X-ray Eclipse

NASA Technical Reports Server (NTRS)

Corcoran, M.; Swank, J. H.; Ishibashi, K.; Gull, T.; Humphreys, R.; Damineli, A.; Walborn, N.; Hillier, D. J.; Davidson, K.; White, S. M.

2002-01-01

We discuss recent X-ray spectral variability of the supermassive star Eta Car in the interval since the last X-ray eclipse in 1998. We concentrate on the interval just prior to the next X-ray eclipse which is expected to occur in June 2003. We compare the X-ray behavior during the 2001-2003 cycle with the previous cycle (1996-1998) and note similarities and differences in the temporal X-ray behavior. We also compare a recent X-ray observation of Eta Car obtained with the Chandra high energy transmission grating in October 2002 with an earlier observation from Nov 2002, and interpret these results in terms of the proposed colliding wind binary model for the star. In addition we discuss planned observations for the upcoming X-ray eclipse.

Enhanced Imaging of Corrosion in Aircraft Structures with Reverse Geometry X-ray(registered tm)

NASA Technical Reports Server (NTRS)

Winfree, William P.; Cmar-Mascis, Noreen A.; Parker, F. Raymond

2000-01-01

The application of Reverse Geometry X-ray to the detection and characterization of corrosion in aircraft structures is presented. Reverse Geometry X-ray is a unique system that utilizes an electronically scanned x-ray source and a discrete detector for real time radiographic imaging of a structure. The scanned source system has several advantages when compared to conventional radiography. First, the discrete x-ray detector can be miniaturized and easily positioned inside a complex structure (such as an aircraft wing) enabling images of each surface of the structure to be obtained separately. Second, using a measurement configuration with multiple detectors enables the simultaneous acquisition of data from several different perspectives without moving the structure or the measurement system. This provides a means for locating the position of flaws and enhances separation of features at the surface from features inside the structure. Data is presented on aircraft specimens with corrosion in the lap joint. Advanced laminographic imaging techniques utilizing data from multiple detectors are demonstrated to be capable of separating surface features from corrosion in the lap joint and locating the corrosion in multilayer structures. Results of this technique are compared to computed tomography cross sections obtained from a microfocus x-ray tomography system. A method is presented for calibration of the detectors of the Reverse Geometry X-ray system to enable quantification of the corrosion to within 2%.

X-ray backscatter imaging of nuclear materials

DOEpatents

Chapman, Jeffrey Allen; Gunning, John E; Hollenbach, Daniel F; Ott, Larry J; Shedlock, Daniel

2014-09-30

The energy of an X-ray beam and critical depth are selected to detect structural discontinuities in a material having an atomic number Z of 57 or greater. The critical depth is selected by adjusting the geometry of a collimator that blocks backscattered radiation so that backscattered X-ray originating from a depth less than the critical depth is not detected. Structures of Lanthanides and Actinides, including nuclear fuel rod materials, can be inspected for structural discontinuities such as gaps, cracks, and chipping employing the backscattered X-ray.

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

DOE PAGES

Grant, Thomas D.; Luft, Joseph R.; Carter, Lester G.; ...

2015-01-23

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

Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12Fe(III)30 (M = Mo(VI), W(VI)).

PubMed

Kuepper, Karsten; Derks, Christine; Taubitz, Christian; Prinz, Manuel; Joly, Loïc; Kappler, Jean-Paul; Postnikov, Andrei; Yang, Wanli; Kuznetsova, Tatyana V; Wiedwald, Ulf; Ziemann, Paul; Neumann, Manfred

2013-06-14

Giant Keplerate-type molecules with a {Mo72Fe30} core show a number of very interesting properties, making them particularly promising for various applications. So far, only limited data on the electronic structure of these molecules from X-ray spectra and electronic structure calculations have been available. Here we present a combined electronic and magnetic structure study of three Keplerate-type nanospheres--two with a {Mo72Fe30} core and one with a {W72Fe30} core by means of X-ray absorption spectroscopy, X-ray magnetic circular dichroism (XMCD), SQUID magnetometry, and complementary theoretical approaches. Furthermore, we present detailed studies of the Fe(3+)-to-Fe(2+) photoreduction process, which is induced under soft X-ray radiation in these molecules. We observe that the photoreduction rate greatly depends on the ligand structure surrounding the Fe ions, with negatively charged ligands leading to a dramatically reduced photoreduction rate. This opens the possibility of tailoring such polyoxometalates by X-ray spectroscopic studies and also for potential applications in the field of X-ray induced photochemistry.

Transmission X-ray microscopy for full-field nano imaging of biomaterials.

PubMed

Andrews, Joy C; Meirer, Florian; Liu, Yijin; Mester, Zoltan; Pianetta, Piero

2011-07-01

Imaging of cellular structure and extended tissue in biological materials requires nanometer resolution and good sample penetration, which can be provided by current full-field transmission X-ray microscopic techniques in the soft and hard X-ray regions. The various capabilities of full-field transmission X-ray microscopy (TXM) include 3D tomography, Zernike phase contrast, quantification of absorption, and chemical identification via X-ray fluorescence and X-ray absorption near edge structure imaging. These techniques are discussed and compared in light of results from the imaging of biological materials including microorganisms, bone and mineralized tissue, and plants, with a focus on hard X-ray TXM at ≤ 40-nm resolution. Copyright © 2010 Wiley-Liss, Inc.

Developments in x-ray tomography I - IX

NASA Astrophysics Data System (ADS)

Stock, S. R.

2016-10-01

Nine Developments in X-ray Tomography conferences have been held previously, and this paper summarizes data from these conference proceedings. The Developments conference provides snapshots of the x-ray tomography field which spans clinical and biological applications, engineering and industrial studies and physical sciences.

Resonant soft X-ray scattering for polymer materials

DOE PAGES

Liu, Feng; Brady, Michael A.; Wang, Cheng

2016-04-16

Resonant Soft X-ray Scattering (RSoXS) was developed within the last few years, and the first dedicated resonant soft X-ray scattering beamline for soft materials was constructed at the Advanced Light Source, LBNL. RSoXS combines soft X-ray spectroscopy with X-ray scattering and thus offers statistical information for 3D chemical morphology over a large length scale range from nanometers to micrometers. Using RSoXS to characterize multi-length scale soft materials with heterogeneous chemical structures, we have demonstrated that soft X-ray scattering is a unique complementary technique to conventional hard X-ray and neutron scattering. Its unique chemical sensitivity, large accessible size scale, molecular bondmore » orientation sensitivity with polarized X-rays, and high coherence have shown great potential for chemically specific structural characterization for many classes of materials.« less

A New Two-fluid Radiation-hydrodynamical Model for X-Ray Pulsar Accretion Columns

NASA Astrophysics Data System (ADS)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A.

2017-02-01

Previous research centered on the hydrodynamics in X-ray pulsar accretion columns has largely focused on the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface. This type of model has been relatively successful in describing the overall properties of the accretion flows, but it does not account for the possible dynamical effect of the gas pressure. On the other hand, the most successful radiative transport models for pulsars generally do not include a rigorous treatment of the dynamical structure of the column, instead assuming an ad hoc velocity profile. In this paper, we explore the structure of X-ray pulsar accretion columns using a new, self-consistent, “two-fluid” model, which incorporates the dynamical effect of the gas and radiation pressures, the dipole variation of the magnetic field, the thermodynamic effect of all of the relevant coupling and cooling processes, and a rigorous set of physical boundary conditions. The model has six free parameters, which we vary in order to approximately fit the phase-averaged spectra in Her X-1, Cen X-3, and LMC X-4. In this paper, we focus on the dynamical results, which shed new light on the surface magnetic field strength, the inclination of the magnetic field axis relative to the rotation axis, the relative importance of gas and radiation pressures, and the radial variation of the ion, electron, and inverse-Compton temperatures. The results obtained for the X-ray spectra are presented in a separate paper.

Observation of femtosecond X-ray interactions with matter using an X-ray–X-ray pump–probe scheme

PubMed Central

Inoue, Ichiro; Inubushi, Yuichi; Sato, Takahiro; Tono, Kensuke; Katayama, Tetsuo; Kameshima, Takashi; Ogawa, Kanade; Togashi, Tadashi; Owada, Shigeki; Amemiya, Yoshiyuki; Tanaka, Takashi; Hara, Toru

2016-01-01

Resolution in the X-ray structure determination of noncrystalline samples has been limited to several tens of nanometers, because deep X-ray irradiation required for enhanced resolution causes radiation damage to samples. However, theoretical studies predict that the femtosecond (fs) durations of X-ray free-electron laser (XFEL) pulses make it possible to record scattering signals before the initiation of X-ray damage processes; thus, an ultraintense X-ray beam can be used beyond the conventional limit of radiation dose. Here, we verify this scenario by directly observing femtosecond X-ray damage processes in diamond irradiated with extraordinarily intense (∼1019 W/cm2) XFEL pulses. An X-ray pump–probe diffraction scheme was developed in this study; tightly focused double–5-fs XFEL pulses with time separations ranging from sub-fs to 80 fs were used to excite (i.e., pump) the diamond and characterize (i.e., probe) the temporal changes of the crystalline structures through Bragg reflection. It was found that the pump and probe diffraction intensities remain almost constant for shorter time separations of the double pulse, whereas the probe diffraction intensities decreased after 20 fs following pump pulse irradiation due to the X-ray–induced atomic displacement. This result indicates that sub-10-fs XFEL pulses enable conductions of damageless structural determinations and supports the validity of the theoretical predictions of ultraintense X-ray–matter interactions. The X-ray pump–probe scheme demonstrated here would be effective for understanding ultraintense X-ray–matter interactions, which will greatly stimulate advanced XFEL applications, such as atomic structure determination of a single molecule and generation of exotic matters with high energy densities. PMID:26811449

A study of the discrepant QSO X-ray luminosity function from the HEAO-2 data archive

NASA Technical Reports Server (NTRS)

Margon, B.

1986-01-01

Sensitive X-ray information for approximately 90 previously uncataloged Quasi-Stellar Objects (QSOs) in the redshift range 1.8 is less than or equal to z which is less than or equal to 3. Even with the longest esixting Einstein Observatory X-ray exposures, only 25% of these objects are positively detected in X-rays. The data were used to investigate the ensemble X-ray properties of high redshift QSOs, and the QSO population in general.

KSC-99pc0165

NASA Image and Video Library

1999-02-06

Cradled in the cargo hold of a tractor-trailer rig called the Space Cargo Transportation System, the Chandra X-ray Observatory reaches the Vertical Processing Facility (VPF). Chandra arrived at the Shuttle Landing Facility on Thursday, Feb. 4, aboard an Air Force C-5 Galaxy aircraft. In the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0166

NASA Image and Video Library

1999-02-06

Cradled in the cargo hold of a tractor-trailer rig called the Space Cargo Transportation System, the Chandra X-ray Observatory waits to be moved inside the Vertical Processing Facility (VPF). Chandra arrived at the Shuttle Landing Facility on Thursday, Feb. 4, aboard an Air Force C-5 Galaxy aircraft. In the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0185

NASA Image and Video Library

1999-02-09

In the Solid Motor Assembly Building, Cape Canaveral Air Station, looking over the Inertial Upper Stage booster being readied for their mission are (left to right) STS-93 Pilot Jeffrey S. Ashby and Mission Specialists Michel Tognini, who represents the Centre National d'Etudes Spatiales (CNES), and Steven A. Hawley. On the far right is Eric Herrburger, with Boeing. Other crew members (not shown) are Commander Eileen Collins and Mission Specialist Catherine G. Coleman. STS-93, scheduled to launch July 9 aboard Space Shuttle Columbia, has the primary mission of the deployment of the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0187

NASA Image and Video Library

1999-02-09

In the Solid Motor Assembly Building, Cape Canaveral Air Station, STS-93 Mission Specialist Catherine G. Coleman kneels next to the Inertial Upper Stage booster being readied for the mission. Other crew members (not shown) are Commander Eileen Collins, Pilot Jeffrey S. Ashby and Mission Specialists Steven A. Hawley and Michel Tognini of France, who represents the Centre National d'Etudes Spatiales (CNES). STS-93, scheduled to launch July 9 aboard Space Shuttle Columbia, has the primary mission of the deployment of the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0186

NASA Image and Video Library

1999-02-09

In the Solid Motor Assembly Building, Cape Canaveral Air Station, STS-93 Pilot Jeffrey S. Ashby and Mission Specialist Steven A. Hawley look over the Inertial Upper Stage booster being readied for their mission. Other crew members (not shown) are Commander Eileen Collins and Mission Specialists Catherine G. Coleman and Michel Tognini of France, who represents the Centre National d'Etudes Spatiales (CNES). STS-93, scheduled to launch July 9 aboard Space Shuttle Columbia, has the primary mission of the deployment of the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

First-Principles Estimation of Electronic Temperature from X-Ray Thomson Scattering Spectrum of Isochorically Heated Warm Dense Matter

NASA Astrophysics Data System (ADS)

Mo, Chongjie; Fu, Zhenguo; Kang, Wei; Zhang, Ping; He, X. T.

2018-05-01

Through the perturbation formula of time-dependent density functional theory broadly employed in the calculation of solids, we provide a first-principles calculation of x-ray Thomson scattering spectrum of isochorically heated aluminum foil, as considered in the experiments of Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015), 10.1103/PhysRevLett.115.115001], where ions were constrained near their lattice positions. From the calculated spectra, we find that the electronic temperature cannot exceed 2 eV, much smaller than the previous estimation of 6 eV via the detailed balance relation. Our results may well be an indication of unique electronic properties of warm dense matter, which can be further illustrated by future experiments. The lower electronic temperature predicted partially relieves the concern on the heating of x-ray free electron laser to the sample when used in structure measurement.

XMM-Newton Observations of the Cluster of Galaxies Sersic 159-03

NASA Technical Reports Server (NTRS)

Kaastra, J. S.; Ferrigno, C.; Tamura, T.; Paerels, F. B. S.; Peterson, J. R.; Mittaz, J. P. D.

2000-01-01

The cluster of galaxies Sersic 159-03 was observed with the XMM-Newton X-ray observatory as part of the Guaranteed Time program. X-ray spectra taken with the EPIC and RGS instruments show no evidence for the strong cooling flow derived from previous X-ray observations. There is a significant lack of cool gas below 1.5 keV as compared to standard isobaric cooling flow models. While the oxygen is distributed more or less uniformly over the cluster, iron shows a strong concentration in the center of the cluster, slightly offset from the brightness center but within the central cD galaxy. This points to enhanced type Ia supernova activity in the center of the cluster. There is also an elongated iron-rich structure ex- tending to the east of the cluster, showing the inhomogeneity of the iron distribution. Finally, the temperature drops rapidly beyond 4' from the cluster center.

Workers in the VPF observe the lower end of the IUS to be mated to the Chandra X-ray Observatory

NASA Technical Reports Server (NTRS)

1999-01-01

Workers in the Vertical Processing Facility observe the lower end of the Inertial Upper Stage (IUS) that will be mated with the Chandra X-ray Observatory (out of sight above it). After the two components are mated, they will undergo testing to validate the IUS/Chandra connections and to check the orbiter avionics interfaces. Following that, an end-to-end test (ETE) will be conducted to verify the communications path to Chandra, commanding it as if it were in space. With the world's most powerful X-ray telescope, Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch July 22 aboard Space Shuttle Columbia, on mission STS-93.

KSC-99pc0174

NASA Image and Video Library

1999-02-08

In the Vertical Processing Facility (VPF), workers check the placement of the Chandra X-ray Observatory on the stand on the floor. The stand will be used to raise the observatory to a vertical position. While in the VPF, the telescope will undergo final installation of associated electronic components; it will also be tested, fueled and mated with the Inertial Upper Stage booster. A set of integrated tests will follow. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

An X-ray absorption spectroscopy study of the interactions of Ni2+ with yeast enolase.

PubMed

Wang, S; Scott, R A; Lebioda, L; Zhou, Z H; Brewer, J M

1995-05-15

An x-ray absorption spectroscopy (XAS) study was carried out at pH 7.6 on solutions of Ni2+ and yeast enolase depleted of its physiological cofactor (Mg2+) in the presence or absence of substrate/product, the very strongly bound competitive inhibitor 2-phosphonoacetohydroxamate and Mg2+. Both "conformational" and "catalytic" Ni2+ are distorted octahedral in coordination, in agreement with several spectroscopic studies but in contrast to the coordination in the crystal at pH 6.0. The data are consistent with direct coordination of what must be the catalytic Ni2+ to the phosphate of the substrate, in agreement with some previous data but in disagreement with recent interpretations by other workers. The ligands around the metal ions obtained from the x-ray structure give simulated XAS spectra in good agreement with the observed spectra.

The Einstein Slew Survey

NASA Technical Reports Server (NTRS)

Elvis, Martin; Plummer, David; Schachter, Jonathan; Fabbiano, G.

1992-01-01

A catalog of 819 sources detected in the Einstein IPC Slew Survey of the X-ray sky is presented; 313 of the sources were not previously known as X-ray sources. Typical count rates are 0.1 IPC count/s, roughly equivalent to a flux of 3 x 10 exp -12 ergs/sq cm s. The sources have positional uncertainties of 1.2 arcmin (90 percent confidence) radius, based on a subset of 452 sources identified with previously known pointlike X-ray sources (i.e., extent less than 3 arcmin). Identifications based on a number of existing catalogs of X-ray and optical objects are proposed for 637 of the sources, 78 percent of the survey (within a 3-arcmin error radius) including 133 identifications of new X-ray sources. A public identification data base for the Slew Survey sources will be maintained at CfA, and contributions to this data base are invited.

Observation of the strain field near the Si(111) 7 x 7 surface with a new X-ray diffraction technique.

PubMed

Emoto, T; Akimoto, K; Ichimiya, A

1998-05-01

A new X-ray diffraction technique has been developed in order to measure the strain field near a solid surface under ultrahigh vacuum (UHV) conditions. The X-ray optics use an extremely asymmetric Bragg-case bulk reflection. The glancing angle of the X-rays can be set near the critical angle of total reflection by tuning the X-ray energy. Using this technique, rocking curves for Si surfaces with different surface structures, i.e. a native oxide surface, a slightly oxide surface and an Si(111) 7 x 7 surface, were measured. It was found that the widths of the rocking curves depend on the surface structures. This technique is efficient in distinguishing the strain field corresponding to each surface structure.

X-Ray Probes of Cosmic Star-Formation History

NASA Technical Reports Server (NTRS)

Ghosh, Pranab; White, Nicholas E.

2001-01-01

In a previous paper we point out that the X-ray luminosity L(sub x) of a galaxy is driven by the evolution of its X-ray binary population and that the profile of L(sub x) with redshift can both serve as a diagnostic probe of the Star Formation Rate (SFR) profile and constrain evolutionary models for X-ray binaries. We update our previous work using a suite of more recently developed SFR profiles that span the currently plausible range. The first Chandra deep imaging results on L(sub x)-evolution are beginning to probe the SFR profile of bright spirals and the early results are consistent with predictions based on current SFR models. Using these new SFR profiles the resolution of the "birthrate problem" of lowmass X-ray binaries (LMXBs) and recycled, millisecond pulsars in terms of an evolving global SFR is more complete. We also discuss the possible impact of the variations in the SFR profile of individual galaxies.

X-ray scanning of overhead aurorae from rockets

NASA Technical Reports Server (NTRS)

Barcus, J. R.; Goldberg, R. A.; Gesell, L. H.

1981-01-01

Two Nike Tomahawk rocket payloads were launched into energetic auroral events in September, 1976 to investigate the structure of these events, as well as their effects on the atmosphere. X-ray scintillation detectors with energy discrimination in four ranges were used to measure the deposition of bremsstrahlung produced X-rays within the stratosphere and mesosphere. Iterative computer techniques were used to reconstruct X-ray source maps at 100 km, taking atmospheric absorption effects into account. Payload 18.178 was launched on September 21st into an aurora having two distinct azimuthal regions of optical brightness. The X-ray scanner detected the same features, and overlays of the X-ray source maps on all-sky photographs showed spatial coincidence of the X-ray with optical features at the lower energies (below 40 keV). Payload 18.179 was launched September 23rd into an aurora with a more diffuse character. The optical structure did not coincide as well with the measured X-ray structure. There was also an indication of a two-component spectrum for each event, with the hard component originating in the more diffuse, optically faint regions.

Solution x-ray scattering and structure formation in protein dynamics

NASA Astrophysics Data System (ADS)

Nasedkin, Alexandr; Davidsson, Jan; Niemi, Antti J.; Peng, Xubiao

2017-12-01

We propose a computationally effective approach that builds on Landau mean-field theory in combination with modern nonequilibrium statistical mechanics to model and interpret protein dynamics and structure formation in small- to wide-angle x-ray scattering (S/WAXS) experiments. We develop the methodology by analyzing experimental data in the case of Engrailed homeodomain protein as an example. We demonstrate how to interpret S/WAXS data qualitatively with a good precision and over an extended temperature range. We explain experimental observations in terms of protein phase structure, and we make predictions for future experiments and for how to analyze data at different ambient temperature values. We conclude that the approach we propose has the potential to become a highly accurate, computationally effective, and predictive tool for analyzing S/WAXS data. For this, we compare our results with those obtained previously in an all-atom molecular dynamics simulation.

Structural Properties of Barium Stannate.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phelan, D.; Han, F.; Lopez-Bezanilla, A.

2018-06-01

BaSnO3 has attracted attention as a transparent conducting oxide with high room temperature carrier mobility. We report a series of measurements that were carried out to assess the structure of BaSnO3 over a variety of length scales. Measurements included single crystal neutron and x-ray diffraction, Rietveld and pair distribution analysis of neutron powder diffraction, Raman scattering, and high-pressure x-ray diffraction. Results from the various diffraction probes indicate that both the long-range and local structures are consistent with the cubic symmetry. The diffraction data under pressure was consistent with a robustly cubic phase up to 48.9 GPa, which is supported bymore » density functional calculations. Additionally, transverse phonon velocities were determined from measured dispersion of the transverse acoustic phonon branches, the results of which are in good agreement with previous theoretical estimates and ultrasound measurements.« less

X-Ray Computed Tomography of Tranquility Base Moon Rock

NASA Technical Reports Server (NTRS)

Jones, Justin S.; Garvin, Jim; Viens, Mike; Kent, Ryan; Munoz, Bruno

2016-01-01

X-ray Computed Tomography (CT) was used for the first time on the Apollo 11 Lunar Sample number 10057.30, which had been previously maintained by the White House, then transferred back to NASA under the care of Goddard Space Flight Center. Results from this analysis show detailed images of the internal structure of the moon rock, including vesicles (pores), crystal needles, and crystal bundles. These crystals, possibly the common mineral ilmenite, are found in abundance and with random orientation. Future work, in particular a greater understanding of these crystals and their formation, may lead to a more in-depth understanding of the lunar surface evolution and mineral content.

Artifact Reduction in X-Ray CT Images of Al-Steel-Perspex Specimens Mimicking a Hip Prosthesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Madhogarhia, Manish; Munshi, P.; Lukose, Sijo

2008-09-26

X-ray Computed Tomography (CT) is a relatively new technique developed in the late 1970's, which enables the nondestructive visualization of the internal structure of objects. Beam hardening caused by the polychromatic spectrum is an important problem in X-ray computed tomography (X-CT). It leads to various artifacts in reconstruction images and reduces image quality. In the present work we are considering the Artifact Reduction in Total Hip Prosthesis CT Scan which is a problem of medical imaging. We are trying to reduce the cupping artifact induced by beam hardening as well as metal artifact as they exist in the CT scanmore » of a human hip after the femur is replaced by a metal implant. The correction method for beam hardening used here is based on a previous work. Simulation study for the present problem includes a phantom consisting of mild steel, aluminium and perspex mimicking the photon attenuation properties of a hum hip cross section with metal implant.« less

Contrast-enhanced dual-energy subtraction imaging using electronic spectrum-splitting and multi-prism x-ray lenses

NASA Astrophysics Data System (ADS)

Fredenberg, Erik; Cederström, Björn; Lundqvist, Mats; Ribbing, Carolina; Åslund, Magnus; Diekmann, Felix; Nishikawa, Robert; Danielsson, Mats

2008-03-01

Dual-energy subtraction imaging (DES) is a method to improve the detectability of contrast agents over a lumpy background. Two images, acquired at x-ray energies above and below an absorption edge of the agent material, are logarithmically subtracted, resulting in suppression of the signal from the tissue background and a relative enhancement of the signal from the agent. Although promising, DES is still not widely used in clinical practice. One reason may be the need for two distinctly separated x-ray spectra that are still close to the absorption edge, realized through dual exposures which may introduce motion unsharpness. In this study, electronic spectrum-splitting with a silicon-strip detector is theoretically and experimentally investigated for a mammography model with iodinated contrast agent. Comparisons are made to absorption imaging and a near-ideal detector using a signal-to-noise ratio that includes both statistical and structural noise. Similar to previous studies, heavy absorption filtration was needed to narrow the spectra at the expense of a large reduction in x-ray flux. Therefore, potential improvements using a chromatic multi-prism x-ray lens (MPL) for filtering were evaluated theoretically. The MPL offers a narrow tunable spectrum, and we show that the image quality can be improved compared to conventional filtering methods.

A Compact X-Ray System for Macromolecular Crystallography

NASA Technical Reports Server (NTRS)

Gubarev, Mikhail; Ciszak, Ewa; Ponomarev, Igor; Gibson, Walter; Joy, Marshall

2000-01-01

We describe the design and performance of a high flux x-ray system for a macromolecular crystallography that combines a microfocus x-ray generator (40 micrometer full width at half maximum spot size at a power level of 46.5 W) and a collimating polycapillary optic. The Cu Ka lpha x-ray flux produced by this optimized system through a 500,um diam orifice is 7.0 times greater than the x-ray flux previously reported by Gubarev et al. [M. Gubarev et al., J. Appl. Crystallogr. 33, 882 (2000)]. The x-ray flux from the microfocus system is also 2.6 times higher than that produced by a rotating anode generator equipped with a graded multilayer monochromator (green optic, Osmic Inc. CMF24-48-Cu6) and 40% less than that produced by a rotating anode generator with the newest design of graded multilayer monochromator (blue optic, Osmic, Inc. CMF12-38-Cu6). Both rotating anode generators operate at a power level of 5000 W, dissipating more than 100 times the power of our microfocus x-ray system. Diffraction data collected from small test crystals are of high quality. For example, 42 540 reflections collected at ambient temperature from a lysozyme crystal yielded R(sub sym)=5.0% for data extending to 1.70 A, and 4.8% for the complete set of data to 1.85 A. The amplitudes of the observed reflections were used to calculate difference electron density maps that revealed positions of structurally important ions and water molecules in the crystal of lysozyme using the phases calculated from the protein model.

Fabrication of 0.25-um electrode width SAW filters using x-ray lithography with a laser plasma source

NASA Astrophysics Data System (ADS)

Bobkowski, Romuald; Li, Yunlei; Fedosejevs, Robert; Broughton, James N.

1996-05-01

A process for the fabrication of surface acoustic wave (SAW) devices with line widths of 250 nm and less, based on x-ray lithography using a laser-plasma source has been developed. The x-ray lithography process is based on keV x-ray emission from Cu plasma produced by 15 Hz, 50 ps, 248 nm KrF excimer laser pulses. The full structure of a 2 GHz surface acoustic wave filter with interdigital transducers in a split-electrode geometry has been manufactured. The devices require patterning a 150 nm thick aluminum layer on a LiNbO3 substrate with electrodes 250 nm wide. The manufacturing process has two main steps: x-ray mask fabrication employing e-beam lithography and x-ray lithography to obtain the final device. The x-ray masks are fabricated on 1 micrometers thick membranes of Si2N4. The line patterns on the masks are written into PMMA resist using a scanning electron microscope which has been interfaced to a personal computer equipped to control the x and y scan voltages. The opaque regions of the x-ray mask are then formed by electroplating fine grain gold into the open spaces in the etched PMMA. The mask and sample are mounted in an exposure cassette with a fixed spacer of 10 micrometers separating them. The sample consists of a LiNbO3 substrate coated with Shipley XP90104C x-ray resist which has been previously characterized. The x-ray patterning is carried out in an exposure chamber with flowing helium background gas in order to minimize debris deposition on the filters. After etching the x-ray resist, the final patterns are produced using metallization and a standard lift-off technique. The SAW filters are then bonded and packaged onto impedance matching striplines. The resultant devices are tested using Scalar Network Analyzers. The final devices produced had a center frequency of 1.93 GHz with a bandwidth of 98 MHz, close to the expected performance of our simple design.

A Suzaku X-ray Observation of One Orbit of the Supergiant Fast X-ray Transient IGR J16479-4514

NASA Technical Reports Server (NTRS)

Sidoli, L.; Esposito, P.; Sguera, V.; Bodaghee, A.; Tomsick, J. A.; Pottschmidt, K.; Rodriguez, J.; Ramano, P.; Wilms, J.

2013-01-01

We report on a 250 ks long X-ray observation of the supergiant fast X-ray transient (SFXT) IGR J16479-4514 performed with Suzaku in 2012 February. During this observation, about 80% of the short orbital period (P(sub orb) approximates 3.32 days) was covered as continuously as possible for the first time. The source light curve displays variability of more than two orders of magnitude, starting with a very low emission state (10(exp -13) erg / sq cm/s; 1-10 keV) lasting the first 46 ks, consistent with being due to the X-ray eclipse by the supergiant companion. The transition to the uneclipsed X-ray emission is energy dependent. Outside the eclipse, the source spends most of the time at a level of 6-7X10)(exp-12) erg/sq. cm/s) punctuated by two structured faint flares with a duration of about 10 and 15 ks, respectively, reaching a peak flux of 3-4X10(exp -11) erg/sq. cm./S, separated by about 0.2 in orbital phase. Remarkably, the first faint flare occurs at a similar orbital phase of the bright flares previously observed in the system. This indicates the presence of a phase-locked large scale structure in the supergiant wind, driving a higher accretion rate onto the compact object. The average X-ray spectrum is hard and highly absorbed, with a column density, NH, of 10*exp 23)/sq cm, clearly in excess of the interstellar absorption. There is no evidence for variability of the absorbing column density, except that during the eclipse, where a less absorbed X-ray spectrum is observed. A narrow Fe K-alpha emission line at 6.4 keV is viewed along the whole orbit, with an intensity which correlates with the continuum emission above 7 keV. The scattered component visible during the X-ray eclipse allowed us to directly probe the wind density at the orbital separation, resulting in rho(sub w)=7X10(exp -14) g/cubic cm. Assuming a spherical geometry for the supergiant wind, the derived wind density translates into a ratio M(sub w)/v(sub infinity) = 7X10(exp -17) Solar M/km which, assuming terminal velocities in a large range 500-3000 km/s, implies an accretion luminosity two orders of magnitude higher than that observed. As a consequence, a mechanism should be at work reducing the mass accretion rate. Different possibilities are discussed.

X-ray crystallography over the past decade for novel drug discovery – where are we heading next?

PubMed Central

Zheng, Heping; Handing, Katarzyna B; Zimmerman, Matthew D; Shabalin, Ivan G; Almo, Steven C; Minor, Wladek

2015-01-01

Introduction Macromolecular X-ray crystallography has been the primary methodology for determining the three-dimensional structures of proteins, nucleic acids and viruses. Structural information has paved the way for structure-guided drug discovery and laid the foundations for structural bioinformatics. However, X-ray crystallography still has a few fundamental limitations, some of which may be overcome and complemented using emerging methods and technologies in other areas of structural biology. Areas covered This review describes how structural knowledge gained from X-ray crystallography has been used to advance other biophysical methods for structure determination (and vice versa). This article also covers current practices for integrating data generated by other biochemical and biophysical methods with those obtained from X-ray crystallography. Finally, the authors articulate their vision about how a combination of structural and biochemical/biophysical methods may improve our understanding of biological processes and interactions. Expert opinion X-ray crystallography has been, and will continue to serve as, the central source of experimental structural biology data used in the discovery of new drugs. However, other structural biology techniques are useful not only to overcome the major limitation of X-ray crystallography, but also to provide complementary structural data that is useful in drug discovery. The use of recent advancements in biochemical, spectroscopy and bioinformatics methods may revolutionize drug discovery, albeit only when these data are combined and analyzed with effective data management systems. Accurate and complete data management is crucial for developing experimental procedures that are robust and reproducible. PMID:26177814

Einstein x ray observations of the core of the Shapley Supercluster in northern Centaurus

NASA Technical Reports Server (NTRS)

Breen, Jeffrey; Raychaudhury, Somak; Forman, William; Jones, Christine

1994-01-01

We present Einstein x ray observations of the core of the Shapley Supercluster, one of the richest and densest known mass concentrations in the local (z less than 0.1) universe. We used Imaging Proportional Counter (IPC) observations supplemented with data from the Einstein Slew Survey to determine the locations and structure of mass concentrations in the region. An x ray map composed of IPC observations of the central (10 deg x 10 deg) region of the Shapley Supercluster is presented. We present evidence that the X-ray clusters observed within 5 deg of the core of the supercluster are on average brighter than those of corresponding richness class distributed throughout the sky. However, we measure no significant difference in the galaxy formation efficiency of these cluster of galaxies compared to other, more isolated clusters. We also find one previously uncataloged cluster-sized mass concentration in the core of the Shapley Supercluster. This new cluster, 'SC 1327-312', is relatively x ray bright (F(sub x) = 1.1 + or - 0.2 x 10(exp -11) erg sec(exp -1) cm(exp -2)) and L(sub x) = 1.1 + or - 0.2 x 10(exp 44) erg sec(exp -1) within 10 minutes, assuming z = 0.0477, H(sub 0) = 50, q(sub 0) = 0). As SC 1327-312 lies well within an Abell radius of the richness R = 4 cluster Shapley 8 (A3558), we suggest it may contribute to an artificially high galaxy count and richness classification for shapley 8. From slew data, we estimate an x ray luminosity for Shapley 8 which is just half the mean luminosity of the four other R = 4 clusters observed by the IPC, further suggesting the richness classification to be an overestimate.

Synchrotron Radiation X-ray Diffraction Techniques Applied to Insect Flight Muscle.

PubMed

Iwamoto, Hiroyuki

2018-06-13

X-ray fiber diffraction is a powerful tool used for investigating the molecular structure of muscle and its dynamics during contraction. This technique has been successfully applied not only to skeletal and cardiac muscles of vertebrates but also to insect flight muscle. Generally, insect flight muscle has a highly ordered structure and is often capable of high-frequency oscillations. The X-ray diffraction studies on muscle have been accelerated by the advent of 3rd-generation synchrotron radiation facilities, which can generate brilliant and highly oriented X-ray beams. This review focuses on some of the novel experiments done on insect flight muscle by using synchrotron radiation X-rays. These include diffraction recordings from single myofibrils within a flight muscle fiber by using X-ray microbeams and high-speed diffraction recordings from the flight muscle during the wing-beat of live insects. These experiments have provided information about the molecular structure and dynamic function of flight muscle in unprecedented detail. Future directions of X-ray diffraction studies on muscle are also discussed.

Small Angle X-ray Scattering for Nanoparticle Research

DOE PAGES

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

2016-04-07

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 ångström 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,more » shape, and organization into hierarchal structures. The theory is expanded upon with contemporary use cases. Both transmission and reflection (grazing incidence) geometries are addressed, as well the combination of SAXS with other X-ray and non-X ray characterization tools. Furthermore, we conclude with an examination of several key areas of research where X-rays scattering has played a pivotal role, including in situ nanoparticle synthesis, nanoparticle assembly, and in 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.« less

Small Angle X-ray Scattering for Nanoparticle Research

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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 ångström 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,more » shape, and organization into hierarchal structures. The theory is expanded upon with contemporary use cases. Both transmission and reflection (grazing incidence) geometries are addressed, as well the combination of SAXS with other X-ray and non-X ray characterization tools. Furthermore, we conclude with an examination of several key areas of research where X-rays scattering has played a pivotal role, including in situ nanoparticle synthesis, nanoparticle assembly, and in 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.« less

Radio and X-ray structure of Centaurus A

NASA Technical Reports Server (NTRS)

Feigelson, E. D.

1982-01-01

Recent studies of the nearby radio galaxy Centaurus A with the Very Large Array and the Einstein X-Ray Observatory reveal complex radio and X-ray structures. A prominent one-sided jet comprised of resolved knots located 0.2-6 kpc from the nucleus is seen in both radio and X-rays. The X-ray emission is probably synchrotron, requiring in situ reacceleration up to about ten million. Inverse Compton emission is not a likely explanation though a thermal model in which the nucleus ejects dense 100,000 solar mass clouds cannot be excluded. An elongated X-ray region is also found near the 'middle' radio lobe and optical HII regions about 30 kpc NE of the nucleus. Conditions around the active nucleus, the absence of X-rays from the inner radio lobes, and X-ray evidence for a hot interstellar medium are briefly discussed

Effect of Fe-substitution on the structure and magnetism of single crystals Mn2-xFexBO4

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Kazak, N. V.; Knyazev, Yu. V.; Bezmaternykh, L. N.; Moshkina, E. M.; Trigub, A. L.; Veligzhanin, A. A.; Zubavichus, Y. V.; Solovyov, L. A.; Velikanov, D. A.; Ovchinnikov, S. G.

2017-10-01

Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an orthorhombic warwickite structure (sp. gr. Pnam). The lattice parameters change linearly with x thus obeying the Vegard's law. The Fe3+ substitution for Mn3+ has been deduced from the X-ray absorption near-edge structure (XANES) spectra. Two energy positions of the absorption edges have been observed in Mn K-edge XANES spectra indicating the presence of manganese in two different oxidation states. Extended X-ray absorption fine structure (EXAFS) analysis has shown the reduction of local structural distortions upon Fe substitution. The magnetization data have revealed a spin-glass transition at TSG = 11, 14 and 18 K for x = 0.3, 0.5 and 0.7, respectively.

The origin of luminescence from di[4-(4-diphenylaminophenyl)phenyl]sulfone (DAPSF), a blue light emitter: an X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) study.

PubMed

Zhang, Duo; Zhang, Hui; Zhang, Xiaohong; Sham, Tsun-Kong; Hu, Yongfeng; Sun, Xuhui

2016-03-07

The electronic structure and optical properties of di[4-(4-diphenylaminophenyl)phenyl]sulfone (denoted as DAPSF), a highly efficient fluorophor, have been investigated using X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) spectroscopy at excitation energies across the C, N, O K-edges and the sulfur K-edge. The results indicate that the blue luminescence is mainly related to the sulfur functional group.

A study of the discrepant QSO X-ray luminosity function from the HEAO-2 data archive

NASA Technical Reports Server (NTRS)

Margon, B.

1984-01-01

An in-progress investigation aimed at characterizing the X-ray luminosity of very faint QSOs is described. More than 100 faint, previously uncataloged QSOs which lie in areas imaged in X rays at very high sensitivity were discovered.

Opportunities and challenges for time-resolved studies of protein structural dynamics at X-ray free-electron lasers.

PubMed

Neutze, Richard

2014-07-17

X-ray free-electron lasers (XFELs) are revolutionary X-ray sources. Their time structure, providing X-ray pulses of a few tens of femtoseconds in duration; and their extreme peak brilliance, delivering approximately 10(12) X-ray photons per pulse and facilitating sub-micrometre focusing, distinguish XFEL sources from synchrotron radiation. In this opinion piece, I argue that these properties of XFEL radiation will facilitate new discoveries in life science. I reason that time-resolved serial femtosecond crystallography and time-resolved wide angle X-ray scattering are promising areas of scientific investigation that will be advanced by XFEL capabilities, allowing new scientific questions to be addressed that are not accessible using established methods at storage ring facilities. These questions include visualizing ultrafast protein structural dynamics on the femtosecond to picosecond time-scale, as well as time-resolved diffraction studies of non-cyclic reactions. I argue that these emerging opportunities will stimulate a renaissance of interest in time-resolved structural biochemistry.

Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation

DOE PAGES

Kumar, Ravhi S.; Svane, Axel; Vaitheeswaran, Ganapathy; ...

2015-10-19

We measured the crystal structure and the Yb valence of the YbFe 2Ge 2 heavy fermion compound at room temperature and under high pressures using high-pressure powder X-ray diffraction and X-ray absorption spectroscopy via both partial fluorescence yield and resonant inelastic X-ray emission techniques. Moreover, the measurements are complemented by first-principles density functional theoretical calculations using the self-interaction corrected local spin density approximation investigating in particular the magnetic structure and the Yb valence. Finally, while the ThCr 2Si 2-type tetragonal (I4/mmm) structure is stable up to 53 GPa, the X-ray emission results show an increase of the Yb valence frommore » v = 2.72(2) at ambient pressure to v = 2.93(3) at ~9 GPa, where at low temperature a pressure-induced quantum critical state was reported.« less

Metalloprotein structures at ambient conditions and in real-time: biological crystallography and spectroscopy using X-ray free electron lasers

DOE PAGES

Kern, Jan; Yachandra, Vittal K.; Yano, Junko

2015-09-02

We have studied the structure of enzymes and the chemistry at the catalytic sites, intensively and have acquired an understanding of the atomic-scale chemistry which requires a new approach beyond steady state X-ray crystallography and X-ray spectroscopy at cryogenic temperatures. Following the dynamic changes in the geometric and electronic structure of metallo-enzymes at ambient conditions, while overcoming the severe X-ray-induced changes to the redox active catalytic center, is key for deriving reaction mechanisms. Such studies become possible by the intense and ultra-short femtosecond (fs) X-ray pulses from an X-ray free electron laser (XFEL) by acquiring a signal before the samplemore » is destroyed. Our review describes the recent and pioneering uses of XFELs to study the protein structure and dynamics of metallo-enzymes using crystallography and scattering, as well as the chemical structure and dynamics of the catalytic complexes (charge, spin, and covalency) using spectroscopy during the reaction to understand the electron-transfer processes and elucidate the mechanism.« less

Metalloprotein structures at ambient conditions and in real-time: biological crystallography and spectroscopy using X-ray free electron lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kern, Jan; Yachandra, Vittal K.; Yano, Junko

We have studied the structure of enzymes and the chemistry at the catalytic sites, intensively and have acquired an understanding of the atomic-scale chemistry which requires a new approach beyond steady state X-ray crystallography and X-ray spectroscopy at cryogenic temperatures. Following the dynamic changes in the geometric and electronic structure of metallo-enzymes at ambient conditions, while overcoming the severe X-ray-induced changes to the redox active catalytic center, is key for deriving reaction mechanisms. Such studies become possible by the intense and ultra-short femtosecond (fs) X-ray pulses from an X-ray free electron laser (XFEL) by acquiring a signal before the samplemore » is destroyed. Our review describes the recent and pioneering uses of XFELs to study the protein structure and dynamics of metallo-enzymes using crystallography and scattering, as well as the chemical structure and dynamics of the catalytic complexes (charge, spin, and covalency) using spectroscopy during the reaction to understand the electron-transfer processes and elucidate the mechanism.« less

X-ray free electron laser: opportunities for drug discovery.

PubMed

Cheng, Robert K Y; Abela, Rafael; Hennig, Michael

2017-11-08

Past decades have shown the impact of structural information derived from complexes of drug candidates with their protein targets to facilitate the discovery of safe and effective medicines. Despite recent developments in single particle cryo-electron microscopy, X-ray crystallography has been the main method to derive structural information. The unique properties of X-ray free electron laser (XFEL) with unmet peak brilliance and beam focus allow X-ray diffraction data recording and successful structure determination from smaller and weaker diffracting crystals shortening timelines in crystal optimization. To further capitalize on the XFEL advantage, innovations in crystal sample delivery for the X-ray experiment, data collection and processing methods are required. This development was a key contributor to serial crystallography allowing structure determination at room temperature yielding physiologically more relevant structures. Adding the time resolution provided by the femtosecond X-ray pulse will enable monitoring and capturing of dynamic processes of ligand binding and associated conformational changes with great impact to the design of candidate drug compounds. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

NRL SSD Research Achievements: 19701980. Volume 2

DTIC Science & Technology

2015-10-30

Astronomy Observatory (HEAO-1) was launched, which carried the very large NRL SSD Large Area Sky Survey (LASS) experiment (HEAO-1 A1). These X-ray...overview of this research. High energy space environment research was fundamentally advanced in the 1970’s. The first High Energy Astronomy ...larger than any previously flown X-ray astronomy spacecraft, and the X-ray detectors provided the most comprehensive X-ray catalogue of astrophysical

Characterization of ceramic powders by an X-ray measuring method

NASA Technical Reports Server (NTRS)

Ziegler, B.

1983-01-01

X-ray line broadening analysis gives quantitative data on structural changes of ceramic powders after different processing steps. Various Al2O3 powders were investigated and the following points are discussed on the basis of these results: X-ray line broadening analysis, structural changes during grinding, structural changes during annealing, influence of structural properties on sintering behavior and application of line broadening analysis to quality control of powders.

X-ray Intermolecular Structure Factor (XISF): separation of intra- and intermolecular interactions from total X-ray scattering data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mou, Q.; Benmore, C. J.; Yarger, J. L.

2015-06-01

XISF is a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained. XISF has been optimized for performance and can separate intermolecular structure factors of complex molecules.

X-ray Intermolecular Structure Factor ( XISF ): separation of intra- and intermolecular interactions from total X-ray scattering data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mou, Q.; Benmore, C. J.; Yarger, J. L.

2015-05-09

XISFis a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained.XISFhas been optimized for performance and can separate intermolecular structure factors of complex molecules.

NAD+ administration significantly attenuates synchrotron radiation X-ray-induced DNA damage and structural alterations of rodent testes

PubMed Central

Sheng, Caibin; Chen, Heyu; Wang, Ban; Liu, Tengyuan; Hong, Yunyi; Shao, Jiaxiang; He, Xin; Ma, Yingxin; Nie, Hui; Liu, Na; Xia, Weiliang; Ying, Weihai

2012-01-01

Synchrotron radiation (SR) X-ray has great potential for its applications in medical imaging and cancer treatment. In order to apply SR X-ray in clinical settings, it is necessary to elucidate the mechanisms underlying the damaging effects of SR X-ray on normal tissues, and to search for the strategies to reduce the detrimental effects of SR X-ray on normal tissues. However, so far there has been little information on these topics. In this study we used the testes of rats as a model to characterize SR X-ray-induced tissue damage, and to test our hypothesis that NAD+ administration can prevent SR X-ray-induced injury of the testes. We first determined the effects of SR X-ray at the doses of 0, 0.5, 1.3, 4 and 40 Gy on the biochemical and structural properties of the testes one day after SR X-ray exposures. We found that 40 Gy of SR X-ray induced a massive increase in double-strand DNA damage, as assessed by both immunostaining and Western blot of phosphorylated H2AX levels, which was significantly decreased by intraperitoneally (i.p.) administered NAD+ at doses of 125 and 625 mg/kg. Forty Gy of SR X-ray can also induce marked increases in abnormal cell nuclei as well as significant decreases in the cell layers of the seminiferous tubules one day after SR X-ray exposures, which were also ameliorated by the NAD+ administration. In summary, our study has shown that SR X-ray can produce both molecular and structural alterations of the testes, which can be significantly attenuated by NAD+ administration. These results have provided not only the first evidence that SR X-ray-induced tissue damage can be ameliorated by certain approaches, but also a valuable basis for elucidating the mechanisms underlying SR X-ray-induced tissue injury. PMID:22518270

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shin, Jaejin; Woo, Jong-Hak; Mulchaey, John S.

We perform a comprehensive study of X-ray cavities using a large sample of X-ray targets selected from the Chandra archive. The sample is selected to cover a large dynamic range including galaxy clusters, groups, and individual galaxies. Using β -modeling and unsharp masking techniques, we investigate the presence of X-ray cavities for 133 targets that have sufficient X-ray photons for analysis. We detect 148 X-ray cavities from 69 targets and measure their properties, including cavity size, angle, and distance from the center of the diffuse X-ray gas. We confirm the strong correlation between cavity size and distance from the X-raymore » center similar to previous studies. We find that the detection rates of X-ray cavities are similar among galaxy clusters, groups and individual galaxies, suggesting that the formation mechanism of X-ray cavities is independent of environment.« less

History of Chandra X-Ray Observatory

NASA Image and Video Library

1999-01-01

In this photograph, the Chandra X-Ray Observatory (CXO) was installed and mated to the Inertial Upper Stage (IUS) inside the Shuttle Columbia's cargo bay at the Kennedy Space Center. The CXO will help astronomers world-wide better understand the structure and evolution of the universe by studying powerful sources of x-rays such as exploding stars, matter falling into black holes, and other exotic celestial objects. X-ray astronomy can only be done from space because Earth's atmosphere blocks x-rays from reaching the surface. The Observatory provides images that are 50 times more detailed than previous x-ray missions. At more than 45 feet in length and weighing more than 5 tons, the CXO was carried into low-Earth orbit by the Space Shuttle Columbia (STS-93 mission) on July 22, 1999. The Observatory was deployed from the Shuttle's cargo bay at 155 miles above the Earth. Two firings of an attached IUS rocket, and several firings of its own onboard rocket motors, after separating from the IUS, placed the Observatory into its working orbit. The IUS is a solid rocket used to place spacecraft into orbit or boost them away from the Earth on interplanetary missions. Since its first use by NASA in 1983, the IUS has supported a variety of important missions, such as the Tracking and Data Relay Satellite, Galileo spacecraft, Magellan spacecraft, and Ulysses spacecraft. The IUS was built by the Boeing Aerospace Co., at Seattle, Washington and managed by the Marshall Space Flight Center.

Neon in ultrashort and intense x-rays from free electron lasers

NASA Astrophysics Data System (ADS)

Buth, Christian; Beerwerth, Randolf; Obaid, Razib; Berrah, Nora; Cederbaum, Lorenz S.; Fritzsche, Stephan

2018-03-01

We theoretically examine neon atoms in ultrashort and intense x-rays from free electron lasers and compare our results with data from experiments conducted at the Linac Coherent Light Source. For this purpose, we treat in detail the electronic structure in all possible nonrelativistic cationic configurations using a relativistic multiconfiguration approach. The interaction with the x-rays is described in rate-equation approximation. To understand the mechanisms of the interaction, a path analysis is devised which allows us to investigate what sequences of photoionization and decay processes lead to a specific configuration and with what probability. Thereby, we uncover a connection to the mathematics of graph theory and formal languages. In detail, we study the ion yields and find that plain rate equations do not provide a satisfactory description. We need to extend the rate equations for neon to incorporate double Auger decay of a K-shell vacancy and photoionization shake off for neutral neon. Shake off is included for valence and core ionization; the former has hitherto been overlooked but has important consequences for the ion yields from an x-ray energy below the core ionization threshold. Furthermore, we predict the photon yields from XUV and x-ray fluorescence these allow one insights into the configurations populated by the interaction with the x-rays. Finally, we discover that inaccuracies in those Auger decay widths employed in previous studies have only a minor influence on ion and photon yields.

The X-ray and ultraviolet absorbing outflow in 3C 351

NASA Astrophysics Data System (ADS)

Mathur, Smita; Wilkes, Belinda; Elvis, Martin; Fiore, Fabrizio

1994-10-01

3C 351 (z = 0.371), and X-ray-'quiet' quasar, is one of the few quasars showing signs of a 'warm absorber' in its X-ray spectrum; i.e., partially ionized absorbing material in the line of sight whose opacity depends on its ionization structure. The main feature in the X-ray spectrum is a K-edge due to O VII or O VIII. 3C 351 also shows unusually strong, blueshifted, associated, absorption lines in the ultraviolet (Bahcall et al. 1993) including O VI (lambda lambda 1031, 1037). This high ionization state strongly suggests an identification with the X-ray absorber and a site within the active nucleus. In this paper we demonstrate that the X-ray and UV absorption is due to the same material. This is the first confirmed UV/X-ray absorber. Physical conditions of the absorber are determined through the combination of constraints derived from both the X-ray and UV analysis. This highly ionized, outflowing, low-density, high-column density absorber situated outside the broad emission line region (BELR) is a previously unknown component of nuclear material. We rule out the identification of the absorber with a BELR cloud as the physical conditions in the two regions are inconsistent with one another. The effect of the X-ray quietness and IR upturn in the 3C 351 continuum on the BELR is also investigated. The strengths of the high-ionization lines of C IV lambda-1549 and O VI lambda-1034 with respect to Lyman-alpha are systematically lower (up to a factor of 10) in the material ionized by the 3C 351 continuum as compared to those produced by the 'standard' quasar continuum, the strongest effect being on the strength of O VI lambda-1034. We find that for a 3C 351-like continuum, C III) lambda-1909 ceases to be a density indicator.

Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

McLean, Larry R.; Zhang, Ying; Degnen, William

2010-10-28

Amino-benzoic acid derivatives 1-4 were found to be inhibitors for DHODH by virtual screening, biochemical, and X-ray crystallographic studies. X-ray structures showed that 1 and 2 bind to DHODH as predicted by virtual screening, but 3 and 4 were found to be structurally different from the corresponding compounds initially identified by virtual screening.

Conserved Binding Mode of Human [beta subscript 2] Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wacker, Daniel; Fenalti, Gustavo; Brown, Monica A.

2010-11-15

G protein-coupled receptors (GPCRs) represent a large fraction of current pharmaceutical targets, and of the GPCRs, the {beta}{sub 2} adrenergic receptor ({beta}{sub 2}AR) is one of the most extensively studied. Previously, the X-ray crystal structure of {beta}{sub 2}AR has been determined in complex with two partial inverse agonists, but the global impact of additional ligands on the structure or local impacts on the binding site are not well-understood. To assess the extent of such ligand-induced conformational differences, we determined the crystal structures of a previously described engineered {beta}{sub 2}AR construct in complex with two inverse agonists: ICI 118,551 (2.8 {angstrom}),more » a recently described compound (2.8 {angstrom}) (Kolb et al, 2009), and the antagonist alprenolol (3.1 {angstrom}). The structures show the same overall fold observed for the previous {beta}{sub 2}AR structures and demonstrate that the ligand binding site can accommodate compounds of different chemical and pharmacological properties with only minor local structural rearrangements. All three compounds contain a hydroxy-amine motif that establishes a conserved hydrogen bond network with the receptor and chemically diverse aromatic moieties that form distinct interactions with {beta}{sub 2}AR. Furthermore, receptor ligand cross-docking experiments revealed that a single {beta}{sub 2}AR complex can be suitable for docking of a range of antagonists and inverse agonists but also indicate that additional ligand-receptor structures may be useful to further improve performance for in-silico docking or lead-optimization in drug design.« less

Reconstitution of SNARE proteins into solid-supported lipid bilayer stacks and X-ray structure analysis.

PubMed

Xu, Yihui; Kuhlmann, Jan; Brennich, Martha; Komorowski, Karlo; Jahn, Reinhard; Steinem, Claudia; Salditt, Tim

2018-02-01

SNAREs are known as an important family of proteins mediating vesicle fusion. For various biophysical studies, they have been reconstituted into supported single bilayers via proteoliposome adsorption and rupture. In this study we extended this method to the reconstitution of SNAREs into supported multilamellar lipid membranes, i.e. oriented multibilayer stacks, as an ideal model system for X-ray structure analysis (X-ray reflectivity and diffraction). The reconstitution was implemented through a pathway of proteomicelle, proteoliposome and multibilayer. To monitor the structural evolution in each step, we used small-angle X-ray scattering for the proteomicelles and proteoliposomes, followed by X-ray reflectivity and grazing-incidence small-angle scattering for the multibilayers. Results show that SNAREs can be successfully reconstituted into supported multibilayers, with high enough orientational alignment for the application of surface sensitive X-ray characterizations. Based on this protocol, we then investigated the effect of SNAREs on the structure and phase diagram of the lipid membranes. Beyond this application, this reconstitution protocol could also be useful for X-ray analysis of many further membrane proteins. Copyright © 2017 Elsevier B.V. All rights reserved.

Review: Serial Femtosecond Crystallography: A Revolution in Structural Biology

PubMed Central

Martin-Garcia, Jose M.; Conrad, Chelsie E.; Coe, Jesse; Roy-Chowdhury, Shatabdi; Fromme, Petra

2016-01-01

Macromolecular crystallography at synchrotron sources has proven to be the most influential method within structural biology, producing thousands of structures since its inception. While its utility has been instrumental in progressing our knowledge of structures of molecules, it suffers from limitations such as the need for large, well-diffracting crystals, and radiation damage that can hamper native structural determination. The recent advent of X-ray free electron lasers (XFELs) and their implementation in the emerging field of serial femtosecond crystallography (SFX) has given rise to a remarkable expansion upon existing crystallographic constraints, allowing structural biologists access to previously restricted scientific territory. SFX relies on exceptionally brilliant, micro-focused X-ray pulses, which are femtoseconds in duration, to probe nano/micrometer sized crystals in a serial fashion. This results in data sets comprised of individual snapshots, each capturing Bragg diffraction of single crystals in random orientations prior to their subsequent destruction. Thus structural elucidation while avoiding radiation damage, even at room temperature, can now be achieved. This emerging field has cultivated new methods for nanocrystallogenesis, sample delivery, and data processing. Opportunities and challenges within SFX are reviewed herein. PMID:27143509

Serial femtosecond crystallography: A revolution in structural biology.

PubMed

Martin-Garcia, Jose M; Conrad, Chelsie E; Coe, Jesse; Roy-Chowdhury, Shatabdi; Fromme, Petra

2016-07-15

Macromolecular crystallography at synchrotron sources has proven to be the most influential method within structural biology, producing thousands of structures since its inception. While its utility has been instrumental in progressing our knowledge of structures of molecules, it suffers from limitations such as the need for large, well-diffracting crystals, and radiation damage that can hamper native structural determination. The recent advent of X-ray free electron lasers (XFELs) and their implementation in the emerging field of serial femtosecond crystallography (SFX) has given rise to a remarkable expansion upon existing crystallographic constraints, allowing structural biologists access to previously restricted scientific territory. SFX relies on exceptionally brilliant, micro-focused X-ray pulses, which are femtoseconds in duration, to probe nano/micrometer sized crystals in a serial fashion. This results in data sets comprised of individual snapshots, each capturing Bragg diffraction of single crystals in random orientations prior to their subsequent destruction. Thus structural elucidation while avoiding radiation damage, even at room temperature, can now be achieved. This emerging field has cultivated new methods for nanocrystallogenesis, sample delivery, and data processing. Opportunities and challenges within SFX are reviewed herein. Published by Elsevier Inc.

High-energy variability of the Pulsar binary PSR J1311-3430

NASA Astrophysics Data System (ADS)

An, Hongjun; Fermi-LAT Collaboration

2018-01-01

We present analysis results of high-energy observations of the extreme mass-ratio black-widow millisecond pulsar binary PSR J1311-3430. Our studies in the UV, X-ray, and gamma-ray bands confirm the orbital modulation in the gamma-ray band as suggested previously. In addition, we find that the modulation is stronger in the high-energy band. In the lower-energy UV and X-ray bands, we detect flares which were observed previously and attributed to magnetic activities. We find that the optical flares are associated with the X-ray flares, suggesting common origin. We explore possible connections of the variabilities with the intrabinary shock (IBS) and magnetic activity on the low mass companion.

X-ray Binaries and the Galaxy Structure in Hard X-rays

NASA Astrophysics Data System (ADS)

Lutovinov, Alexander

The Galaxy structure in the hard X-ray energy band (¿20 keV) was studied using data of the INTEGRAL observatory. A deep and nearly uniform coverage of the galactic plane allowed to increase significantly the sensitivity of the survey and discover several dozens new galac-tic sources. The follow-up observations with XMM-Newton and CHANDRA observatories in X-rays and ground-based telescopes in optical and infrared wavebands gave us a possibility to determine optical counterparts and distances for number of new and already known faint sources. That, in turn, allowed us to build the spatial distribution of different classes of galactic X-ray binaries and obtain preliminary results of the structure of the further part of the Galaxy.

Ain't no Crab, PWN Got a Brand New Bag: Correlated Radio and X-ray Structures in Pulsar Wind Nebulae

NASA Astrophysics Data System (ADS)

Roberts, M. S. E.; Lyutikov, M.; Gaensler, B. M.; Brogan, C. L.; Tam, C. R.; Romani, R. W.

2005-04-01

The traditional view of radio pulsar wind nebulae (PWN), encouraged by the Crab nebula's X-ray and radio morphologies, is that they are a result of the integrated history of their pulsars' wind. The radio emission should therefore be largely unaffected by recent pulsar activity, and hence minimally correlated with structures in the X-ray nebulae. Observations of several PWN, both stationary and rapidly moving, now show clear morphological relationships between structures in the radio and X-ray with radio intensity variations on the order of unity. We present high-resolution X-ray and radio images of several PWN of both types and discuss the morphological relationships between the two wavebands.

Butterfly deformation modes in a photoexcited pyrazolate-bridged Pt complex measured by time-resolved x-ray scattering in solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haldrup, Kristoffer; Dohn, Asmus O.; Shelby, Megan L.

2016-08-27

Pyrazolate-bridged di-nuclear Pt complexes represent a series of molecules with tunable absorption and emission properties that can be directly modulated by structural factors, such as the Pt-Pt distance. However, direct experimental information regarding the structure of the emissive triplet excited state has remained scarce. Using time-resolved wide angle X-ray scattering (WAXS), the molecular structure of the triplet excited state for one of the complexes [Pt(ppy)(μ-tBu 2pz)] 2 was obtained in a dilute (0.5 mM) toluene solution utilizing the monochromatic X-ray beamline 11IDD of the Advanced Photon Source. The excited state structural analysis was carried out based on the results frommore » both transient WAXS measurements and DFT calculations to shed light on the primary structural changes, in particular the Pt-Pt distance and ligand rotation taking place following the photo-excitation of [Pt(ppy)(μ-tBu 2pz)] 2 in toluene solution. We find that in the triplet excited state a pronounced contraction along the Pt-Pt axis has taken place accompanied by rotational motions of ppy ligands toward one another. Our results suggest that the contraction is larger than what has previously been reported, but are in good agreement with recent theoretical efforts and suggest the ppy moieties as targets for rational synthesis aimed at tuning the excited-state structure and properties« less

NuSTAR Hard X-Ray Survey of the Galactic Center Region I: Hard X-Ray Morphology and Spectroscopy of the Diffuse Emission

NASA Astrophysics Data System (ADS)

Mori, Kaya; Hailey, Charles J.; Krivonos, Roman; Hong, Jaesub; Ponti, Gabriele; Bauer, Franz; Perez, Kerstin; Nynka, Melania; Zhang, Shuo; Tomsick, John A.; Alexander, David M.; Baganoff, Frederick K.; Barret, Didier; Barrière, Nicolas; Boggs, Steven E.; Canipe, Alicia M.; Christensen, Finn E.; Craig, William W.; Forster, Karl; Giommi, Paolo; Grefenstette, Brian W.; Grindlay, Jonathan E.; Harrison, Fiona A.; Hornstrup, Allan; Kitaguchi, Takao; Koglin, Jason E.; Luu, Vy; Madsen, Kristen K.; Mao, Peter H.; Miyasaka, Hiromasa; Perri, Matteo; Pivovaroff, Michael J.; Puccetti, Simonetta; Rana, Vikram; Stern, Daniel; Westergaard, Niels J.; Zhang, William W.; Zoglauer, Andreas

2015-12-01

We present the first sub-arcminute images of the Galactic Center above 10 keV, obtained with NuSTAR. NuSTAR resolves the hard X-ray source IGR J17456-2901 into non-thermal X-ray filaments, molecular clouds, point sources, and a previously unknown central component of hard X-ray emission (CHXE). NuSTAR detects four non-thermal X-ray filaments, extending the detection of their power-law spectra with Γ ˜ 1.3-2.3 up to ˜50 keV. A morphological and spectral study of the filaments suggests that their origin may be heterogeneous, where previous studies suggested a common origin in young pulsar wind nebulae (PWNe). NuSTAR detects non-thermal X-ray continuum emission spatially correlated with the 6.4 keV Fe Kα fluorescence line emission associated with two Sgr A molecular clouds: MC1 and the Bridge. Broadband X-ray spectral analysis with a Monte-Carlo based X-ray reflection model self-consistently determined their intrinsic column density (˜1023 cm-2), primary X-ray spectra (power-laws with Γ ˜ 2) and set a lower limit of the X-ray luminosity of Sgr A* flare illuminating the Sgr A clouds to LX ≳ 1038 erg s-1. Above ˜20 keV, hard X-ray emission in the central 10 pc region around Sgr A* consists of the candidate PWN G359.95-0.04 and the CHXE, possibly resulting from an unresolved population of massive CVs with white dwarf masses MWD ˜ 0.9 M⊙. Spectral energy distribution analysis suggests that G359.95-0.04 is likely the hard X-ray counterpart of the ultra-high gamma-ray source HESS J1745-290, strongly favoring a leptonic origin of the GC TeV emission.

Ethanol fixed brain imaging by phase-contrast X-ray technique

NASA Astrophysics Data System (ADS)

Takeda, Tohoru; Thet-Thet-Lwin; Kunii, Takuya; Sirai, Ryota; Ohizumi, Takahito; Maruyama, Hiroko; Hyodo, Kazuyuki; Yoneyama, Akio; Ueda, Kazuhiro

2013-03-01

The two-crystal phase-contrast X-ray imaging technique using an X-ray crystal interferometer can depict the fine structures of rat's brain such as cerebral cortex, white matter, and basal ganglia. Image quality and contrast by ethanol fixed brain showed significantly better than those by usually used formalin fixation at 35 keV X-ray energy. Image contrast of cortex by ethanol fixation was more than 3-times higher than that by formalin fixation. Thus, the technique of ethanol fixation might be better suited to image cerebral structural detail at 35 keV X-ray energy.

Hard X-ray irradiation of cosmic silicate analogs: structural evolution and astrophysical implications

NASA Astrophysics Data System (ADS)

Gavilan, L.; Jäger, C.; Simionovici, A.; Lemaire, J. L.; Sabri, T.; Foy, E.; Yagoubi, S.; Henning, T.; Salomon, D.; Martinez-Criado, G.

2016-03-01

Context. Protoplanetary disks, interstellar clouds, and active galactic nuclei contain X-ray-dominated regions. X-rays interact with the dust and gas present in such environments. While a few laboratory X-ray irradiation experiments have been performed on ices, X-ray irradiation experiments on bare cosmic dust analogs have been scarce up to now. Aims: Our goal is to study the effects of hard X-rays on cosmic dust analogs via in situ X-ray diffraction. By using a hard X-ray synchrotron nanobeam, we seek to simulate cumulative X-ray exposure on dust grains during their lifetime in these astrophysical environments and provide an upper limit on the effect of hard X-rays on dust grain structure. Methods: We prepared enstatite (MgSiO3) nanograins, which are analogs to cosmic silicates, via the melting-quenching technique. These amorphous grains were then annealed to obtain polycrystalline grains. These were characterized via scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) before irradiation. Powder samples were prepared in X-ray transparent substrates and were irradiated with hard X-rays nanobeams (29.4 keV) provided by beamline ID16B of the European Synchrotron Radiation Facility (Grenoble). X-ray diffraction images were recorded in transmission mode, and the ensuing diffractograms were analyzed as a function of the total X-ray exposure time. Results: We detected the amorphization of polycrystalline silicates embedded in an organic matrix after an accumulated X-ray exposure of 6.4 × 1027 eV cm-2. Pure crystalline silicate grains (without resin) do not exhibit amorphization. None of the amorphous silicate samples (pure and embedded in resin) underwent crystallization. We analyze the evolution of the polycrystalline sample embedded in an organic matrix as a function of X-ray exposure. Conclusions: Loss of diffraction peak intensity, peak broadening, and the disappearance of discrete spots and arcs reveal the amorphization of the resin embedded (originally polycrystalline) silicate sample. We explore the astrophysical implications of this laboratory result as an upper limit to the effect of X-rays on the structure of cosmic silicates.

Expediting Combinatorial Data Set Analysis by Combining Human and Algorithmic Analysis.

PubMed

Stein, Helge Sören; Jiao, Sally; Ludwig, Alfred

2017-01-09

A challenge in combinatorial materials science remains the efficient analysis of X-ray diffraction (XRD) data and its correlation to functional properties. Rapid identification of phase-regions and proper assignment of corresponding crystal structures is necessary to keep pace with the improved methods for synthesizing and characterizing materials libraries. Therefore, a new modular software called htAx (high-throughput analysis of X-ray and functional properties data) is presented that couples human intelligence tasks used for "ground-truth" phase-region identification with subsequent unbiased verification by an algorithm to efficiently analyze which phases are present in a materials library. Identified phases and phase-regions may then be correlated to functional properties in an expedited manner. For the functionality of htAx to be proven, two previously published XRD benchmark data sets of the materials systems Al-Cr-Fe-O and Ni-Ti-Cu are analyzed by htAx. The analysis of ∼1000 XRD patterns takes less than 1 day with htAx. The proposed method reliably identifies phase-region boundaries and robustly identifies multiphase structures. The method also addresses the problem of identifying regions with previously unpublished crystal structures using a special daisy ternary plot.

X-ray radiative transfer in protoplanetary disks. The role of dust and X-ray background fields

NASA Astrophysics Data System (ADS)

Rab, Ch.; Güdel, M.; Woitke, P.; Kamp, I.; Thi, W.-F.; Min, M.; Aresu, G.; Meijerink, R.

2018-01-01

Context. The X-ray luminosities of T Tauri stars are about two to four orders of magnitude higher than the luminosity of the contemporary Sun. As these stars are born in clusters, their disks are not only irradiated by their parent star but also by an X-ray background field produced by the cluster members. Aims: We aim to quantify the impact of X-ray background fields produced by young embedded clusters on the chemical structure of disks. Further, we want to investigate the importance of the dust for X-ray radiative transfer in disks. Methods: We present a new X-ray radiative transfer module for the radiation thermo-chemical disk code PRODIMO (PROtoplanetary DIsk MOdel), which includes X-ray scattering and absorption by both the gas and dust component. The X-ray dust opacities can be calculated for various dust compositions and dust-size distributions. For the X-ray radiative transfer we consider irradiation by the star and by X-ray background fields. To study the impact of X-rays on the chemical structure of disks we use the well established disk ionization tracers N2H+ and HCO+. Results: For evolved dust populations (e.g. grain growth), X-ray opacities are mostly dominated by the gas; only for photon energies E ≳ 5-10 keV do dust opacities become relevant. Consequently the local disk X-ray radiation field is only affected in dense regions close to the disk midplane. X-ray background fields can dominate the local X-ray disk ionization rate for disk radii r ≳ 20 au. However, the N2H+ and HCO+ column densities are only significantly affected in cases of low cosmic-ray ionization rates (≲10-19 s-1), or if the background flux is at least a factor of ten higher than the flux level of ≈10-5 erg cm-2 s-1 expected for clusters typical for the solar vicinity. Conclusions: Observable signatures of X-ray background fields in low-mass star-formation regions, like Taurus, are only expected for cluster members experiencing a strong X-ray background field (e.g. due to their location within the cluster). For the majority of the cluster members, the X-ray background field has relatively little impact on the disk chemical structure.

Synthesis and properties of acetamidinium salts

PubMed Central

2011-01-01

Background Acetamidines are starting materials for synthesizing many chemical substances, such as imidazoles, pyrimidines and triazines, which are further used for biochemically active compounds as well as energetic materials. The aim of this study was to synthesise and characterise a range of acetamidinium salts in order to overcome the inconvenience connected with acetamidinium chloride, which is the only commercially available acetamidinium salt. Results Acetamidinium salts were synthesised and characterised by elemental analysis, mass spectrometry, NMR and - in the case of energetic salts - DTA. The structures of previously unknown acetamidinium salts were established by X-ray diffraction analysis. Hygroscopicities in 90% humidity of eight acetamidinium salts were evaluated. Conclusions The different values of hygroscopicity are corroborated by the structures determined by X-ray analysis. The acetamidinium salts with 2D layered structures (acetamidinium nitrate, formate, oxalate and dinitromethanide) show a lack of hygroscopicity, and the compounds with 3D type of structure (acetamidinium chloride, acetate, sulphate and perchlorate) and possessing rather large cavities are quite hygroscopic. PMID:22152129

Cytotoxicity of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-ethyl derivative of thiosalicylic acid

NASA Astrophysics Data System (ADS)

Nikolić, Miloš V.; Mijajlović, Marina Ž.; Jevtić, Verica V.; Ratković, Zoran R.; Novaković, Slađana B.; Bogdanović, Goran A.; Milovanović, Jelena; Arsenijević, Aleksandar; Stojanović, Bojana; Trifunović, Srećko R.; Radić, Gordana P.

2016-07-01

The spectroscopically predicted structure of the obtained copper(II)-complex with S-ethyl derivative of thiosalicylic acid was confirmed by X-ray structural study and compared to previously reported crystal structure of the Cu complex with S-methyl derivative. Single crystals suitable for X-ray measurements were obtained by slow crystallization from a water solution. Cytotoxic effects of S-alkyl (R = benzyl (L1), methyl (L2), ethyl (L3), propyl (L4) and butyl (L5)) derivatives of thiosalicylic acid and the corresponding binuclear copper(II)-complexes on murine colon carcinoma cell lines, CT26 and CT26.CL25 and human colon carcinoma cell line HCT-116 were reported here. The analysis of cancer cell viability showed that all the tested complexes had low cytotoxic effect on murine colon carcinoma cell lines, but several times higher cytotoxicity on normal human colon carcinoma cells.

Time-resolved x-ray diffraction and electrical resistance measurements of structural phase transitions in zirconium

DOE PAGES

Velisavljevic, N.; Sinogeikin, S.; Saavedra, R.; ...

2014-05-07

Here, we have designed a portable pressure controller module to tune compression rates and maximum pressures attainable in a standard gas-membrane diamond anvil cell (DAC). During preliminary experiments, performed on zirconium (Zr) metal sample, pressure jumps of up to 80 GPa were systematically obtained in less than 0.2s (resulting in compression rate of few GPa/s up to more than 400 GPa/s). In-situ x-ray diffraction and electrical resistance measurements were performed simultaneously during this rapid pressure increase to provide the first time resolved data on α → ω → β structural evolution in Zr at high pressures. Direct control of compressionmore » rates and peak pressures, which can be held for prolonged time, allows for investigation of structural evolution and kinetics of structural phase transitions of materials under previously unexplored compression rate-pressure conditions that bridge traditional static and shock/dynamic experimental platforms.« less

Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase

NASA Astrophysics Data System (ADS)

Kuroda, Daniel G.; Bauman, Joseph D.; Challa, J. Reddy; Patel, Disha; Troxler, Thomas; Das, Kalyan; Arnold, Eddy; Hochstrasser, Robin M.

2013-03-01

The anti-AIDS drug rilpivirine undergoes conformational changes to bind HIV-1 reverse transcriptase (RT), which is an essential enzyme for the replication of HIV. These changes allow it to retain potency against mutations that otherwise would render the enzyme resistant. Here we report that water molecules play an essential role in this binding process. Femtosecond experiments and theory expose the molecular level dynamics of rilpivirine bound to HIV-1 RT. Two nitrile substituents, one on each arm of the drug, are used as vibrational probes of the structural dynamics within the binding pocket. Two-dimensional vibrational echo spectroscopy reveals that one nitrile group is unexpectedly hydrogen-bonded to a mobile water molecule, not identified in previous X-ray structures. Ultrafast nitrile-water dynamics are confirmed by simulations. A higher (1.51 Å) resolution X-ray structure also reveals a water-drug interaction network. Maintenance of a crucial anchoring hydrogen bond may help retain the potency of rilpivirine against pocket mutations despite the structural variations they cause.

Focusing X-Ray Telescopes

NASA Technical Reports Server (NTRS)

O'Dell, Stephen; Brissenden, Roger; Davis, William; Elsner, Ronald; Elvis, Martin; Freeman, Mark; Gaetz, Terrance; Gorenstein, Paul; Gubarev, Mikhall; Jerlus, Diab;

Ensemble X-ray variability of active galactic nuclei. II. Excess variance and updated structure function

NASA Astrophysics Data System (ADS)

Vagnetti, F.; Middei, R.; Antonucci, M.; Paolillo, M.; Serafinelli, R.

2016-09-01

Context. Most investigations of the X-ray variability of active galactic nuclei (AGN) have been concentrated on the detailed analyses of individual, nearby sources. A relatively small number of studies have treated the ensemble behaviour of the more general AGN population in wider regions of the luminosity-redshift plane. Aims: We want to determine the ensemble variability properties of a rich AGN sample, called Multi-Epoch XMM Serendipitous AGN Sample (MEXSAS), extracted from the fifth release of the XMM-Newton Serendipitous Source Catalogue (XMMSSC-DR5), with redshift between ~0.1 and ~5, and X-ray luminosities in the 0.5-4.5 keV band between ~1042 erg/s and ~1047 erg/s. Methods: We urge caution on the use of the normalised excess variance (NXS), noting that it may lead to underestimate variability if used improperly. We use the structure function (SF), updating our previous analysis for a smaller sample. We propose a correction to the NXS variability estimator, taking account of the light curve duration in the rest frame on the basis of the knowledge of the variability behaviour gained by SF studies. Results: We find an ensemble increase of the X-ray variability with the rest-frame time lag τ, given by SF ∝ τ0.12. We confirm an inverse dependence on the X-ray luminosity, approximately as SF ∝ LX-0.19. We analyse the SF in different X-ray bands, finding a dependence of the variability on the frequency as SF ∝ ν-0.15, corresponding to a so-called softer when brighter trend. In turn, this dependence allows us to parametrically correct the variability estimated in observer-frame bands to that in the rest frame, resulting in a moderate (≲15%) shift upwards (V-correction). Conclusions: Ensemble X-ray variability of AGNs is best described by the structure function. An improper use of the normalised excess variance may lead to an underestimate of the intrinsic variability, so that appropriate corrections to the data or the models must be applied to prevent these effects. Full Table 1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/593/A55

Pressure-induced kinetics of the α to ω transition in zirconium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacobsen, M. K.; Velisavljevic, N., E-mail: nenad@lanl.gov; Sinogeikin, S. V.

Diamond anvil cells (DAC) coupled with x-ray diffraction (XRD) measurements are one of the primary techniques for investigating structural stability of materials at high pressure-temperature (P-T) conditions. DAC-XRD has been predominantly used to resolve structural information at set P-T conditions and, consequently, provides P-T phase diagram information on a broad range of materials. With advances in large scale synchrotron x-ray facilities and corresponding x-ray diagnostic capabilities, it is now becoming possible to perform sub-second time resolved measurements on micron sized DAC samples. As a result, there is an opportunity to gain valuable information about the kinetics of structural phase transformationsmore » and extend our understanding of material behavior at high P-T conditions. Using DAC-XRD time resolved measurements, we have investigated the kinetics of the α to ω transformation in zirconium. We observe a clear time and pressure dependence in the martensitic α-ω transition as a function of pressure-jump, i.e., drive pressure. The resulting data are fit using available kinetics models, which can provide further insight into transformation mechanism that influence transformation kinetics. Our results help shed light on the discrepancies observed in previous measurements of the α-ω transition pressure in zirconium.« less

Pressure-induced kinetics of the α to ω transition in zirconium

DOE PAGES

Jacobsen, M. K.; Velisavljevic, N.; Sinogeikin, S. V.

2015-07-13

Diamond anvil cells (DAC) coupled with x-ray diffraction (XRD) measurements are one of the primary techniques for investigating structural stability of materials at high pressure-temperature (P-T) conditions. DAC-XRD has been predominantly used to resolve structural information at set P-T conditions and, consequently, provides P-T phase diagram information on a broad range of materials. With advances in large scale synchrotron x-ray facilities and corresponding x-ray diagnostic capabilities, it is now becoming possible to perform sub-second time resolved measurements on micron sized DAC samples. As a result, there is an opportunity to gain valuable information about the kinetics of structural phase transformationsmore » and extend our understanding of material behavior at high P-T conditions. Using DAC-XRD time resolved measurements, we have investigated the kinetics of the α to ω transformation in zirconium. We observe a clear time and pressure dependence in the martensitic α-ω transition as a function of pressure-jump, i.e., drive pressure. The resulting data are fit using available kinetics models, which can provide further insight into transformation mechanism that influence transformation kinetics. Our results help shed light on the discrepancies observed in previous measurements of the α-ω transition pressure in zirconium.« less

High-level expression and deuteration of sperm whale myoglobin: A study of its solvent structure by X-ray and neutron diffraction methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shu, F.; Ramakrishnan, V.; Schoenborn, B.P.

1994-12-31

Neutron diffraction has become one of the best ways to study light atoms, such as hydrogens. Hydrogen however has a negative coherent scattering factor, and a large incoherent scattering factor, while deuterium has virtually no incoherent scattering, but a large positive coherent scattering factor. Beside causing high background due to its incoherent scattering, the negative coherent scattering of hydrogen tends to cancel out the positive contribution from other atoms in a neutron density map. Therefore a fully deuterated sample will yield better diffraction data with stronger density in the hydrogen position. On this basis, a sperm whale myoglobin gene modifiedmore » to include part of the A cII protein gene has been cloned into the T7 expression system. Milligram amounts of fully deuterated holo-myoglobin have been obtained and used for crystallization. The synthetic sperm whale myoglobin crystallized in P2{sub 1} space group isomorphous with the native protein crystal. A complete X-ray diffraction dataset at 1.5{Angstrom} has been collected. This X-ray dataset, and a neutron data set collected previously on a protonated carbon-monoxymyoglobin crystal have been used for solvent structure studies. Both X-ray and neutron data have shown that there are ordered hydration layers around the protein surface. Solvent shell analysis on the neutron data further has shown that the first hydration layer behaves differently around polar and apolar regions of the protein surface. Finally, the structure of per-deuterated myoglobin has been refined using all reflections to a R factor of 17%.« less

A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study

PubMed Central

2017-01-01

In this work, a new protocol for the calculation of valence-to-core resonant X-ray emission (VtC RXES) spectra is introduced. The approach is based on the previously developed restricted open configuration interaction with singles (ROCIS) method and its parametrized version, based on a ground-state Kohn–Sham determinant (DFT/ROCIS) method. The ROCIS approach has the following features: (1) In the first step approximation, many-particle eigenstates are calculated in which the total spin is retained as a good quantum number. (2) The ground state with total spin S and excited states with spin S′ = S, S ± 1, are obtained. (3) These states have a qualitatively correct multiplet structure. (4) Quasi-degenerate perturbation theory is used to treat the spin–orbit coupling operator variationally at the many-particle level. (5) Transition moments are obtained between the relativistic many-particle states. The method has shown great potential in the field of X-ray spectroscopy, in particular in the field of transition-metal L-edge, which cannot be described correctly with particle–hole theories. In this work, the method is extended to the calculation of resonant VtC RXES [alternatively referred to as 1s-VtC resonant inelastic X-ray scattering (RIXS)] spectra. The complete Kramers–Dirac–Heisenerg equation is taken into account. Thus, state interference effects are treated naturally within this protocol. As a first application of this protocol, a computational study on the previously reported VtC RXES plane on a molecular managanese(V) complex is performed. Starting from conventional X-ray absorption spectra (XAS), we present a systematic study that involves calculations and electronic structure analysis of both the XAS and non-resonant and resonant VtC XES spectra. The very good agreement between theory and experiment, observed in all cases, allows us to unravel the complicated intensity mechanism of these spectroscopic techniques as a synergic function of state polarization and interference effects. In general, intense features in the RIXS spectra originate from absorption and emission processes that involve nonorthogonal transition moments. We also present a graphical method to determine the sign of the interference contributions. PMID:28920680

Driving force behind adsorption-induced protein unfolding: a time-resolved X-ray reflectivity study on lysozyme adsorbed at an air/water interface.

PubMed

Yano, Yohko F; Uruga, Tomoya; Tanida, Hajime; Toyokawa, Hidenori; Terada, Yasuko; Takagaki, Masafumi; Yamada, Hironari

2009-01-06

Time-resolved X-ray reflectivity measurements for lysozyme (LSZ) adsorbed at an air/water interface were performed to study the mechanism of adsorption-induced protein unfolding. The time dependence of the density profile at the air/water interface revealed that the molecular conformation changed significantly during adsorption. Taking into account previous work using Fourier transform infrared (FTIR) spectroscopy, we propose that the LSZ molecules initially adsorbed on the air/water interface have a flat unfolded structure, forming antiparallel beta-sheets as a result of hydrophobic interactions with the gas phase. In contrast, as adsorption continues, a second layer forms in which the molecules have a very loose structure having random coils as a result of hydrophilic interactions with the hydrophilic groups that protrude from the first layer.

Redetermination of the borax structure from laboratory X-ray data at 145 K

PubMed Central

Gainsford, Graeme J.; Kemmitt, Tim; Higham, Caleb

2008-01-01

The title compound, sodium tetraborate decahydrate (mineral name: borax), Na2[B4O5(OH)4]·8H2O, has been studied previously using X-ray [Morimoto (1956). Miner. J. 2, 1–18] and neutron [Levy & Lisensky (1978). Acta Cryst. B34, 3502–3510] diffraction data. The structure contains tetra­borate anions [B4O5(OH)4]2− with twofold rotation symmetry, which form hydrogen-bonded chains, and [Na(H2O)6] octa­hedra that form zigzag chains [Na(H2O)4/2(H2O)2/1]. The O—H bond distances obtained from the present redetermination at 145 K are shorter than those in the neutron study by an average of 0.127 (19) Å. PMID:21202161

Nanoscale characterization of local structures and defects in photonic crystals using synchrotron-based transmission soft X-ray microscopy

PubMed Central

Nho, Hyun Woo; Kalegowda, Yogesh; Shin, Hyun-Joon; Yoon, Tae Hyun

2016-01-01

For the structural characterization of the polystyrene (PS)-based photonic crystals (PCs), fast and direct imaging capabilities of full field transmission X-ray microscopy (TXM) were demonstrated at soft X-ray energy. PS-based PCs were prepared on an O2-plasma treated Si3N4 window and their local structures and defects were investigated using this label-free TXM technique with an image acquisition speed of ~10 sec/frame and marginal radiation damage. Micro-domains of face-centered cubic (FCC (111)) and hexagonal close-packed (HCP (0001)) structures were dominantly found in PS-based PCs, while point and line defects, FCC (100), and 12-fold symmetry structures were also identified as minor components. Additionally, in situ observation capability for hydrated samples and 3D tomographic reconstruction of TXM images were also demonstrated. This soft X-ray full field TXM technique with faster image acquisition speed, in situ observation, and 3D tomography capability can be complementally used with the other X-ray microscopic techniques (i.e., scanning transmission X-ray microscopy, STXM) as well as conventional characterization methods (e.g., electron microscopic and optical/fluorescence microscopic techniques) for clearer structure identification of self-assembled PCs and better understanding of the relationship between their structures and resultant optical properties. PMID:27087141

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yennawar, Hemant; Møller, Magda; University of Copenhagen, DK-2100 Copenhagen

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 crystalmore » 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.« less

Inhibition of d-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography

PubMed Central

Kovalevsky, Andrey; Hanson, B. Leif; Mason, Sax A.; Forsyth, V. Trevor; Fisher, Zoe; Mustyakimov, Marat; Blakeley, Matthew P.; Keen, David A.; Langan, Paul

2012-01-01

d-Xylose isomerase (XI) converts the aldo-sugars xylose and glucose to their keto analogs xylulose and fructose, but is strongly inhibited by the polyols xylitol and sorbitol, especially at acidic pH. In order to understand the atomic details of polyol binding to the XI active site, a 2.0 Å resolution room-temperature joint X-ray/neutron structure of XI in complex with Ni2+ cofactors and sorbitol inhibitor at pH 5.9 and a room-temperature X-ray structure of XI containing Mg2+ ions and xylitol at the physiological pH of 7.7 were obtained. The protonation of oxygen O5 of the inhibitor, which was found to be deprotonated and negatively charged in previous structures of XI complexed with linear glucose and xylulose, was directly observed. The Ni2+ ions occupying the catalytic metal site (M2) were found at two locations, while Mg2+ in M2 is very mobile and has a high B factor. Under acidic conditions sorbitol gains a water-mediated interaction that connects its O1 hydroxyl to Asp257. This contact is not found in structures at basic pH. The new interaction that is formed may improve the binding of the inhibitor, providing an explanation for the increased affinity of the polyols for XI at low pH. PMID:22948921

Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode

DOE PAGES

Alonso-Mori, Roberto; Kern, Jan; Gildea, Richard J.; ...

2012-11-05

The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this “probe-before-destroy” approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as wellmore » as the ligand environment, critical for understanding the functional role of redox-active metal sites. Kβ 1,3 XES spectra of Mn II and Mn 2 III,IV complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to >100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. Furthermore, the technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II.« less

Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode

PubMed Central

Alonso-Mori, Roberto; Kern, Jan; Gildea, Richard J.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Lassalle-Kaiser, Benedikt; Tran, Rosalie; Hattne, Johan; Laksmono, Hartawan; Hellmich, Julia; Glöckner, Carina; Echols, Nathaniel; Sierra, Raymond G.; Schafer, Donald W.; Sellberg, Jonas; Kenney, Christopher; Herbst, Ryan; Pines, Jack; Hart, Philip; Herrmann, Sven; Grosse-Kunstleve, Ralf W.; Latimer, Matthew J.; Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Zwart, Petrus H.; White, William E.; Adams, Paul D.; Bogan, Michael J.; Boutet, Sébastien; Williams, Garth J.; Zouni, Athina; Messinger, Johannes; Glatzel, Pieter; Sauter, Nicholas K.; Yachandra, Vittal K.; Yano, Junko; Bergmann, Uwe

2012-01-01

The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this “probe-before-destroy” approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as well as the ligand environment, critical for understanding the functional role of redox-active metal sites. Kβ1,3 XES spectra of MnII and Mn2III,IV complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to >100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. The technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II. PMID:23129631

Discovery of Spatial and Spectral Structure in the X-Ray Emission from the Crab Nebula

NASA Technical Reports Server (NTRS)

Weisskopf, M.; Hester, J. J.; Tennant, A. F.; Elsner, R. F.; Schulz, N. S.; Marshall, H. L.; Karovska, M.; Nichols, J. S.; Swartz, D. A.; Kolodziejczak, J. J.

2000-01-01

The Chandra X-ray Observatory observed the Crab Nebula and Pulsar During orbital calibration. Zeroth-order images with the High-Energy Transmission Grating (HETG) read-out by the Advanced CCD Imaging Spectrometer spectroscopy array (ACIS-S) show a striking richness of X-ray structure, at a resolution comparable to that of the best ground-based visible-light observations. The HETG-ACIS-S images reveal, for the first time, an X-ray knots along the inner ring and (perhaps) along the inward extension of the X-ray jet. Although complicated by instrumental effects and the brightness of the Crab Nebula, the spectrometric analysis shows systematic variations of the X-ray spectrum throughout the Nebula.

Evidence for magnetic energy storage in coronal active regions

NASA Technical Reports Server (NTRS)

Krieger, A. S.; De Feiter, L. D.; Vaiana, G. S.

1976-01-01

Examination of X-ray images obtained by the S-054 X-ray spectrographic telescope on Skylab shows the presence of some atypical X-ray-emitting coronal structures in active regions which are not consistent with potential extrapolations of photospheric magnetic fields. Analysis of the observed temporal changes in the X-ray-emitting active-region structures demonstrates that the majority of these consist of brightness changes representing temperature (and perhaps density) variations of the material in the loops.

Microanalysis of iron oxidation state in iron oxides using X Ray Absorption Near Edge Structure (XANES)

NASA Technical Reports Server (NTRS)

Sutton, S. R.; Delaney, J.; Bajt, S.; Rivers, M. L.; Smith, J. V.

1993-01-01

An exploratory application of x ray absorption near edge structure (XANES) analysis using the synchrotron x ray microprobe was undertaken to obtain Fe XANES spectra on individual sub-millimeter grains in conventional polished sections. The experiments concentrated on determinations of Fe valence in a suite of iron oxide minerals for which independent estimates of the iron speciation could be made by electron microprobe analysis and x ray diffraction.

High-power laser interaction with low-density C–Cu foams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pérez, F.; Colvin, J. D.; May, M. J.

2015-11-15

We study the propagation of high-power laser beams in micro-structured carbon foams by monitoring the x-ray output from deliberately introduced Cu content. In particular, we characterize this phenomenon measuring absolute time-resolved x-ray yields, time-resolved x-ray imaging, and x-ray spectroscopy. New experimental results for C–Cu foams show a faster heat front velocity than simulation that assumed homogeneous plasma. We suggest the foam micro-structure may explain this trend.

High-power laser interaction with low-density C–Cu foams

DOE PAGES

Pérez, F.; Colvin, J. D.; May, M. J.; ...

2015-11-19

Here, we study the propagation of high-power laser beams in micro-structured carbon foams by monitoring the x-ray output from deliberately introduced Cu content. In particular, we characterize this phenomenon measuring absolute time-resolved x-ray yields, time-resolved x-ray imaging, and x-ray spectroscopy. New experimental results for C–Cu foams show a faster heat front velocity than simulation that assumed homogeneous plasma. We suggest the foam micro-structure may explain this trend.

Eclipse and Collapse of the Colliding Wind X-ray Emission from Eta Carinae

NASA Technical Reports Server (NTRS)

Hamaguchi, Kenji; Corcoran, Michael F.

2012-01-01

X-ray emission from the massive stellar binary system, Eta Carinae, drops strongly around periastron passage; the event is called the X-ray minimum. We launched a focused observing campaign in early 2009 to understand the mechanism of causing the X-ray minimum. During the campaign, hard X-ray emission (<10 keV) from Eta Carinae declined as in the previous minimum, though it recovered a month earlier. Extremely hard X-ray emission between 15-25 keV, closely monitored for the first time with the Suzaku HXD/PIN, decreased similarly to the hard X-rays, but it reached minimum only after hard X-ray emission from the star had already began to recover. This indicates that the X-ray minimum is produced by two composite mechanisms: the thick primary wind first obscured the hard, 2-10 keV thermal X-ray emission from the wind-wind collision (WWC) plasma; the WWC activity then decays as the two stars reach periastron.

Novel interpretation of the mean structure of feroxyhyte

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sestu, Matteo, E-mail: msestu@unica.it; Carta, Daniela; Casula, Maria F.

2015-05-15

The structure of the iron oxyhydroxide called feroxyhyte (δ-FeOOH), which shows an elusive X-ray powder diffraction pattern, has been represented so far using models describing a mean structure based on the crystalline network of the iron(III) oxide hematite (α-Fe{sub 2}O{sub 3}). In this paper, a novel description of the mean structure of feroxyhyte is presented, which is based on the structure of the thermodynamically stable iron oxyhydroxide goethite. Starting from different local arrangements present in the goethite network, a mean structural model is determined which shows an X-ray powder diffraction pattern almost coincident with previous studies. This outcome enables tomore » integrate the structure of feroxyhyte among those of other well characterized iron oxyhydroxides. - Graphical abstract: The structure of the iron oxy-hydroxide feroxyhyte can be described by local arrangements present in the goethite network. - Highlights: • The structure of feroxyhyte (δ-FeOOH) proposed in literature is discussed. • The structure of goethite (α-FeOOH) is analyzed. • A structural relationship between feroxyhyte and goethite is found. • New interpretation of the mean structure of δ-FeOOH is given.« less

STUDIES ON DECREASING THE REACTION OF NORMAL SKIN TO DESTRUCTIVE DOSES OF X-RAYS BY PHARMACOLOGICAL MEANS AND ON THE MECHANISM INVOLVED

PubMed Central

Auer, John; Witherbee, William D.

1921-01-01

When a fixed area of the ears of rabbits is subjected to the action of a standard destructive dose of x-rays (30 skin units) the type of reaction resulting depends upon the previous treatment of the rabbit. (1) In normal rabbits a mild acute inflammation develops in the x-rayed area which leads at once to a perforating gangrene within an average of 15 days. (2) If rabbits are x-rayed and about 2 weeks later injected with horse serum for the first time, a mild acute inflammation appears which heals for a time; then a second, subacute inflammation sets in which leads to a perforating gangrene. The average time of the process from the first inflammation to gangrene is 32 days. (3) If rabbits are sensitized with horse serum and 10 days later are exposed locally to the standard dose of x-rays, the ensuing ear reaction is either similar to the second reaction described above, except that it may last up to 110 days, or the first inflammation leads to a healing which may be apparently permanent (340 + days). (4) If rabbits are first sensitized with horse serum, exposed locally to the standard dose of x-rays 10 days later, and 13 days after the x-ray treatment reinjected with horse serum, the reaction of the x-rayed area of the ears is in general similar to the second reaction described above (inflammation—healing—inflammation—gangrene). The average time of the whole process is about 42 days. On the basis of the general hypothesis that an anaphylactic reaction is initiated in the body when the specific antibody meets its antigen, and that both antibody and antigen are rendered more or less functionally inert by their interaction, the following inferences may be drawn from our experimental results. (1) The protection from the effects of a standard destructive dose of x-rays which a previous sensitization confers, is referable to the presence of anaphylactic antibodies in the x-rayed area. (2) This protection is largely due to the anaphylactic antibodies which are anchored in the x-rayed area, and not to those which are free in the circulation. (3) An anaphylactic reaction renders the anchored anaphylactic antibodies largely impotent as protective factors against the standard destructive x-ray dose, even though sensitization preceded exposure to the x-rays. (4) An area treated with the standard destructive dose of x-rays is unable to produce or to anchor a sufficient amount of anaphylactic antibodies for protection from necrosis, when the x-ray treatment precedes the sensitization, or when the locally anchored anaphylactic antibodies are rendered functionally inactive by a general anaphylactic reaction. It is possible that the procedure of increasing the resistance of the skin to a destructive dose of x-rays by means of a previous sensitization with protein may be applicable in the treatment of certain types of inoperable disease, when it is important to use massive doses of x-rays. Animals which have been sensitized, or sensitized and reinjected with any undenatured alien protein, should not be reemployed as normal controls in any investigation unless trial has shown that these proteinized animals react quantitatively and qualitatively like normal animals. The presence of an abnormal reactor in a group of supposedly normal animals may be an indication of a previous proteinization. PMID:19868536

Exploring the atomic structure and conformational flexibility of a 320 Å long engineered viral fiber using X-ray crystallography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhardwaj, Anshul; Casjens, Sherwood R.; Cingolani, Gino, E-mail: gino.cingolani@jefferson.edu

2014-02-01

This study presents the crystal structure of a ∼320 Å long protein fiber generated by in-frame extension of its repeated helical coiled-coil core. Protein fibers are widespread in nature, but only a limited number of high-resolution structures have been determined experimentally. Unlike globular proteins, fibers are usually recalcitrant to form three-dimensional crystals, preventing single-crystal X-ray diffraction analysis. In the absence of three-dimensional crystals, X-ray fiber diffraction is a powerful tool to determine the internal symmetry of a fiber, but it rarely yields atomic resolution structural information on complex protein fibers. An 85-residue-long minimal coiled-coil repeat unit (MiCRU) was previously identifiedmore » in the trimeric helical core of tail needle gp26, a fibrous protein emanating from the tail apparatus of the bacteriophage P22 virion. Here, evidence is provided that an MiCRU can be inserted in frame inside the gp26 helical core to generate a rationally extended fiber (gp26-2M) which, like gp26, retains a trimeric quaternary structure in solution. The 2.7 Å resolution crystal structure of this engineered fiber, which measures ∼320 Å in length and is only 20–35 Å wide, was determined. This structure, the longest for a trimeric protein fiber to be determined to such a high resolution, reveals the architecture of 22 consecutive trimerization heptads and provides a framework to decipher the structural determinants for protein fiber assembly, stability and flexibility.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gati, Cornelius; Oberthuer, Dominik; Yefanov, Oleksandr

To understand how molecules function in biological systems, new methods are required to obtain atomic resolution structures from biological material under physiological conditions. Intense femtosecond-duration pulses from X-ray free-electron lasers (XFELs) can outrun most damage processes, vastly increasing the tolerable dose before the specimen is destroyed. This in turn allows structure determination from crystals much smaller and more radiation sensitive than previously considered possible, allowing data collection from room temperature structures and avoiding structural changes due to cooling. Regardless, high-resolution structures obtained from XFEL data mostly use crystals far larger than 1 μm3 in volume, whereas the X-ray beam ismore » often attenuated to protect the detector from damage caused by intense Bragg spots. Here, we describe the 2 Å resolution structure of native nanocrystalline granulovirus occlusion bodies (OBs) that are less than 0.016 μm3 in volume using the full power of the Linac Coherent Light Source (LCLS) and a dose up to 1.3 GGy per crystal. The crystalline shell of granulovirus OBs consists, on average, of about 9,000 unit cells, representing the smallest protein crystals to yield a high-resolution structure by X-ray crystallography to date. The XFEL structure shows little to no evidence of radiation damage and is more complete than a model determined using synchrotron data from recombinantly produced, much larger, cryocooled granulovirus granulin microcrystals. Furthermore, our measurements suggest that it should be possible, under ideal experimental conditions, to obtain data from protein crystals with only 100 unit cells in volume using currently available XFELs and suggest that single-molecule imaging of individual biomolecules could almost be within reach.« less

Tracking reaction dynamics in solution by pump-probe X-ray absorption spectroscopy and X-ray liquidography (solution scattering).

PubMed

Kim, Jeongho; Kim, Kyung Hwan; Oang, Key Young; Lee, Jae Hyuk; Hong, Kiryong; Cho, Hana; Huse, Nils; Schoenlein, Robert W; Kim, Tae Kyu; Ihee, Hyotcherl

2016-03-07

Characterization of transient molecular structures formed during chemical and biological processes is essential for understanding their mechanisms and functions. Over the last decade, time-resolved X-ray liquidography (TRXL) and time-resolved X-ray absorption spectroscopy (TRXAS) have emerged as powerful techniques for molecular and electronic structural analysis of photoinduced reactions in the solution phase. Both techniques make use of a pump-probe scheme that consists of (1) an optical pump pulse to initiate a photoinduced process and (2) an X-ray probe pulse to monitor changes in the molecular structure as a function of time delay between pump and probe pulses. TRXL is sensitive to changes in the global molecular structure and therefore can be used to elucidate structural changes of reacting solute molecules as well as the collective response of solvent molecules. On the other hand, TRXAS can be used to probe changes in both local geometrical and electronic structures of specific X-ray-absorbing atoms due to the element-specific nature of core-level transitions. These techniques are complementary to each other and a combination of the two methods will enhance the capability of accurately obtaining structural changes induced by photoexcitation. Here we review the principles of TRXL and TRXAS and present recent application examples of the two methods for studying chemical and biological processes in solution. Furthermore, we briefly discuss the prospect of using X-ray free electron lasers for the two techniques, which will allow us to keep track of structural dynamics on femtosecond time scales in various solution-phase molecular reactions.

3D X-ray ultra-microscopy of bone tissue.

PubMed

Langer, M; Peyrin, F

2016-02-01

We review the current X-ray techniques with 3D imaging capability at the nano-scale: transmission X-ray microscopy, ptychography and in-line phase nano-tomography. We further review the different ultra-structural features that have so far been resolved: the lacuno-canalicular network, collagen orientation, nano-scale mineralization and their use as basis for mechanical simulations. X-ray computed tomography at the micro-metric scale is increasingly considered as the reference technique in imaging of bone micro-structure. The trend has been to push towards increasingly higher resolution. Due to the difficulty of realizing optics in the hard X-ray regime, the magnification has mainly been due to the use of visible light optics and indirect detection of the X-rays, which limits the attainable resolution with respect to the wavelength of the visible light used in detection. Recent developments in X-ray optics and instrumentation have allowed to implement several types of methods that achieve imaging that is limited in resolution by the X-ray wavelength, thus enabling computed tomography at the nano-scale. We review here the X-ray techniques with 3D imaging capability at the nano-scale: transmission X-ray microscopy, ptychography and in-line phase nano-tomography. Further, we review the different ultra-structural features that have so far been resolved and the applications that have been reported: imaging of the lacuno-canalicular network, direct analysis of collagen orientation, analysis of mineralization on the nano-scale and use of 3D images at the nano-scale to drive mechanical simulations. Finally, we discuss the issue of going beyond qualitative description to quantification of ultra-structural features.

Single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase at 100 K

NASA Astrophysics Data System (ADS)

Nakatsuka, Akihiko; Arima, Hiroshi; Ohtaka, Osamu; Fujiwara, Keiko; Yoshiasa, Akira

2017-10-01

Single-crystal X-ray diffraction study of SrGeO3 perovskite (cubic; space group Pmɜ¯m) synthesized at 6 GPa and 1223 K was conducted at a low temperature of 100 K. The residual electron density revealed the presence of the bonding electron at the center of the Ge-O bond, in accordance with our previous conclusion that the Ge-O bond is strongly covalent. From comparison with our previous structure-refinement result at 296 K, the mean square displacement (MSD) of the O atom in the direction of the Ge-O bond is suggested to exhibit no significant temperature dependence, in contrast to that in the direction perpendicular to the bond. Thus, the strong covalency of the Ge-O bond can have a large influence on the temperature dependence of thermal vibration of the O atom.

Identification of NpO2+x in the binary Np-O system

NASA Astrophysics Data System (ADS)

Tayal, Akhil; Conradson, Steven D.; Baldinozzi, Gianguido; Namdeo, Sonu; Roberts, Kevin E.; Allen, Patrick G.; Shuh, David K.

2017-07-01

In contrast to UO2 and PuO2, there is no consensus on the existence of mixed valence NpO2+x, resulting in a gap between NpO2 and Np2O5 (the highest binary oxide of Np) in the Np-O phase diagram. We now show NpO2+x via Np LIII Extended X-ray Absorption Fine Structure (EXAFS) spectra of three samples of NpO2 that, analogous to U and Pu, exhibit multisite Np-O distributions with varying numbers of oxygen atoms at 1.87-1.91 Å. This is supported by the diffraction pattern of the sample with the largest amount of this oxo-type species that can be refined with both the simple fluorite structure and a trigonal one related to α-U4O9. The implied Np(V)-bridging oxo moieties as well as possible indications of OHbar found by detailed EXAFS analysis suggest that NpO2+x more closely resembles PuO2+x than UO2+x. An additional common characteristic suggested by the EXAFS and X-Ray Diffraction (XRD) is the phase separation into NpO2 and what would be previously unreported Np4O9(-δ), indicative of O clustering.

Probing molecular dynamics in solution with x-ray valence-to-core spectroscopy

NASA Astrophysics Data System (ADS)

Doumy, Gilles; March, Anne Marie; Tu, Ming-Feng; Al Haddad, Andre; Southworth, Stephen; Young, Linda; Walko, Donald; Bostedt, Christoph

2017-04-01

Hard X-ray spectroscopies are powerful tools for probing the electronic and geometric structure of molecules in complex or disordered systems and have been particularly useful for studying molecules in the solution phase. They are element specific, sensitive to the electronic structure and the local arrangements of surrounding atoms of the element being selectively probed. When combined in a pump-probe scheme with ultrafast lasers, X-ray spectroscopies can be used to track the evolution of structural changes that occur after photoexcitation. Efficient use of hard x-ray radiation coming from high brilliance synchrotrons and upcoming high repetition rate X-ray Free Electron Lasers requires MHz repetition rate lasers and data acquisition systems. High information content Valence-to-Core x-ray emission is directly sensitive to the molecular orbitals involved in photochemistry. We report on recent progress towards fully enabling this photon-hungry technique for the study of time-resolved molecular dynamics, including efficient detection and use of polychromatic x-ray micro-probe at the Advanced Photon Source. Work was supported by the U.S. Department of Energy, Office of Science, Chemical Sciences, Geosciences, and Biosciences Division.

Thermally Induced Structural Evolution and Performance of Mesoporous Block Copolymer-Directed Alumina Perovskite Solar Cells

PubMed Central

2015-01-01

Structure control in solution-processed hybrid perovskites is crucial to design and fabricate highly efficient solar cells. Here, we utilize in situ grazing incidence wide-angle X-ray scattering and scanning electron microscopy to investigate the structural evolution and film morphologies of methylammonium lead tri-iodide/chloride (CH3NH3PbI3–xClx) in mesoporous block copolymer derived alumina superstructures during thermal annealing. We show the CH3NH3PbI3–xClx material evolution to be characterized by three distinct structures: a crystalline precursor structure not described previously, a 3D perovskite structure, and a mixture of compounds resulting from degradation. Finally, we demonstrate how understanding the processing parameters provides the foundation needed for optimal perovskite film morphology and coverage, leading to enhanced block copolymer-directed perovskite solar cell performance. PMID:24684494

UO(2) Oxidative Corrosion by Nonclassical Diffusion.

PubMed

Stubbs, Joanne E; Chaka, Anne M; Ilton, Eugene S; Biwer, Craig A; Engelhard, Mark H; Bargar, John R; Eng, Peter J

2015-06-19

Using x-ray scattering, spectroscopy, and density-functional theory, we determine the structure of the oxidation front when a UO(2) (111) surface is exposed to oxygen at ambient conditions. In contrast to classical diffusion and previously reported bulk UO(2+x) structures, we find oxygen interstitials order into a nanoscale superlattice with three-layer periodicity and uranium in three oxidation states: IV, V, and VI. This oscillatory diffusion profile is driven by the nature of the electron transfer process, and has implications for understanding the initial stages of oxidative corrosion in materials at the atomistic level.

The surface structure of silver-coated gold nanocrystals and its influence on shape control

DOE PAGES

Padmos, J. Daniel; Personick, Michelle L.; Tang, Qing; ...

2015-07-08

Understanding the surface structure of metal nanocrystals with specific facet indices is important due to its impact on controlling nanocrystal shape and functionality. However, this is particularly challenging for halide-adsorbed nanocrystals due to the difficulty in analysing interactions between metals and light halides (for example, chloride). Here we uncover the surface structures of chloride-adsorbed, silver-coated gold nanocrystals with {111}, {110}, {310} and {720} indexed facets by X-ray absorption spectroscopy and density functional theory modelling. The silver–chloride, silver–silver and silver–gold bonding structures are markedly different between the nanocrystal surfaces, and are sensitive to their formation mechanism and facet type. A uniquemore » approach of combining the density functional theory and experimental/simulated X-ray spectroscopy further verifies the surface structure models and identifies the previously indistinguishable valence state of silver atoms on the nanocrystal surfaces. Overall, this work elucidates the thus-far unknown chloride–metal nanocrystal surface structures and sheds light onto the halide-induced growth mechanism of anisotropic nanocrystals.« less

Microscopic structural change in a liquid Fe-C alloy of ~5 GPa

DOE PAGES

Shibazaki, Yuki; Kono, Yoshio; Fei, Yingwei

2015-07-04

The structure of a liquid Fe-3.5 wt% C alloy is examined for up to 7.2 GPa via multiangle energy-dispersive X-ray diffraction using a Paris-Edinburgh type large-volume press. X-ray diffraction data show clear changes in the pressure-dependent peak positions of structure factor and reduced pair distribution function at 5GPa. These results suggest that the liquid Fe-3.5wt%C alloys change structurally at approximately 5GPa. This finding serves as a microscopic explanation for the alloy’s previously observed density change at the same pressure. The pressure dependencies of the nearest and second neighbor distances of the liquid Fe-3.5 wt% C alloy are similar to thosemore » of liquid Fe which exhibits a structural change near the bcc-fcc-liquid triple point (5.2GPa and 1991 K). Here, similarities between Fe-3.5wt% C and Fe suggest that a density change also occurs in liquid Fe and that this structural change extends to other Fe-light element alloys.« less

X-ray diffraction and X-ray standing-wave study of the lead stearate film structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blagov, A. E.; Dyakova, Yu. A.; Kovalchuk, M. V.

2016-05-15

A new approach to the study of the structural quality of crystals is proposed. It is based on the use of X-ray standing-wave method without measuring secondary processes and considers the multiwave interaction of diffraction reflections corresponding to different harmonics of the same crystallographic reflection. A theory of multiwave X-ray diffraction is developed to calculate the rocking curves in the X-ray diffraction scheme under consideration for a long-period quasi-one-dimensional crystal. This phase-sensitive method is used to study the structure of a multilayer lead stearate film on a silicon substrate. Some specific structural features are revealed for the surface layer ofmore » the thin film, which are most likely due to the tilt of the upper layer molecules with respect to the external normal to the film surface.« less

Local Structure Determination of Carbon/Nickel Ferrite Composite Nanofibers Probed by X-ray Absorption Spectroscopy.

PubMed

Nilmoung, Sukunya; Kidkhunthod, Pinit; Maensiri, Santi

2015-11-01

Carbon/NiFe2O4 composite nanofibers have been successfully prepared by electrospinning method using a various concentration solution of Ni and Fe nitrates dispersed into polyacrylonitride (PAN) solution in N,N' dimethylformamide. The phase and mophology of PAN/NiFe2O4 composite samples were characterized and investigated by X-ray diffraction and scanning electron microscopy. The magnetic properties of the prepared samples were measured at ambient temperature by a vibrating sample magnetometer. It is found that all composite samples exhibit ferromagnetism. This could be local-structurally explained by the existed oxidation states of Ni2+ and Fe3+ in the samples. Moreover, local environments around Ni and Fe ions could be revealed by X-ray absorption spectroscopy (XAS) measurement including X-ray absorption near edge structure (XANES) and Extended X-ray absorption fine structure (EXAFS).

Quantum simulation of thermally-driven phase transition and oxygen K-edge x-ray absorption of high-pressure ice

PubMed Central

Kang, Dongdong; Dai, Jiayu; Sun, Huayang; Hou, Yong; Yuan, Jianmin

2013-01-01

The structure and phase transition of high-pressure ice are of long-standing interest and challenge, and there is still a huge gap between theoretical and experimental understanding. The quantum nature of protons such as delocalization, quantum tunneling and zero-point motion is crucial to the comprehension of the properties of high-pressure ice. Here we investigated the temperature-induced phase transition and oxygen K-edge x-ray absorption spectra of ice VII, VIII and X using ab initio path-integral molecular dynamics simulations. The tremendous difference between experiments and the previous theoretical predictions is closed for the phase diagram of ice below 300 K at pressures up to 110 GPa. Proton tunneling assists the proton-ordered ice VIII to transform into proton-disordered ice VII where only thermal activated proton-transfer cannot occur. The oxygen K edge with its shift is sensitive to the order-disorder transition, and therefore can be applied to diagnose the dynamics of ice structures. PMID:24253589

Structural and magnetic phase transitions near optimal superconductivity in BaFe 2(As 1-xP x) 2

DOE PAGES

Hu, Ding; Lu, Xingye; Zhang, Wenliang; ...

2015-04-17

In this study, we use nuclear magnetic resonance (NMR), high-resolution x-ray and neutron scattering to study structural and magnetic phase transitions in phosphorus-doped BaFe 2(As 1-xP x) 2. Thus, previous transport, NMR, specific heat, and magnetic penetration depth measurements have provided compelling evidence for the presence of a quantum critical point (QCP) near optimal superconductivity at x = 0.3. However, we show that the tetragonal-to-orthorhombic structural (T s) and paramagnetic to antiferromagnetic (AF, T N) transitions in BaFe 2(As 1-xP x) 2 are always coupled and approach to T N ≈ T s ≥ T c (≈ 29 K) formore » x = 0.29 before vanishing abruptly for x ≥ 0.3. These results suggest that AF order in BaFe 2(As 1-xP x) 2 disappears in a weakly first order fashion near optimal superconductivity, much like the electron-doped iron pnictides with an avoided QCP.« less

Discovery of radio emission from the brown dwarf LP944-20.

PubMed

Berger, E; Ball, S; Becker, K M; Clarke, M; Frail, D A; Fukuda, T A; Hoffman, I M; Mellon, R; Momjian, E; Murphy, N W; Teng, S H; Woodruff, T; Zauderer, B A; Zavala, R T

2001-03-15

Brown dwarfs are not massive enough to sustain thermonuclear fusion of hydrogen at their centres, but are distinguished from gas-giant planets by their ability to burn deuterium. Brown dwarfs older than approximately 10 Myr are expected to possess short-lived magnetic fields and to emit radio and X-rays only very weakly from their coronae. An X-ray flare was recently detected on the brown dwarf LP944-20, whereas previous searches for optical activity (and one X-ray search) yielded negative results. Here we report the discovery of quiescent and flaring radio emission from LP944-20, with luminosities several orders of magnitude larger than predicted by the empirical relation between the X-ray and radio luminosities that has been found for many types of stars. Interpreting the radio data within the context of synchrotron emission, we show that LP944-20 has an unusually weak magnetic field in comparison to active M-dwarf stars, which might explain the previous null optical and X-ray results, as well as the strength of the radio emissions compared to those at X-ray wavelengths.

Crystal Structure of a Two-domain Fragment of Hepatocyte Growth Factor Activator Inhibitor-1

PubMed Central

Hong, Zebin; De Meulemeester, Laura; Jacobi, Annemarie; Pedersen, Jan Skov; Morth, J. Preben; Andreasen, Peter A.; Jensen, Jan K.

2016-01-01

Hepatocyte growth factor activator inhibitor-1 (HAI-1) is a type I transmembrane protein and inhibitor of several serine proteases, including hepatocyte growth factor activator and matriptase. The protein is essential for development as knock-out mice die in utero due to placental defects caused by misregulated extracellular proteolysis. HAI-1 contains two Kunitz-type inhibitor domains (Kunitz), which are generally thought of as a functionally self-contained protease inhibitor unit. This is not the case for HAI-1, where our results reveal how interdomain interactions have evolved to stimulate the inhibitory activity of an integrated Kunitz. Here we present an x-ray crystal structure of an HAI-1 fragment covering the internal domain and Kunitz-1. The structure reveals not only that the previously uncharacterized internal domain is a member of the polycystic kidney disease domain family but also how the two domains engage in interdomain interactions. Supported by solution small angle x-ray scattering and a combination of site-directed mutagenesis and functional assays, we show that interdomain interactions not only stabilize the fold of the internal domain but also stimulate the inhibitory activity of Kunitz-1. By completing our structural characterization of the previously unknown N-terminal region of HAI-1, we provide new insight into the interplay between tertiary structure and the inhibitory activity of a multidomain protease inhibitor. We propose a previously unseen mechanism by which the association of an auxiliary domain stimulates the inhibitory activity of a Kunitz-type inhibitor (i.e. the first structure of an intramolecular interaction between a Kunitz and another domain). PMID:27189939

X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex

NASA Astrophysics Data System (ADS)

Zhou, X. Edward; Gao, Xiang; Barty, Anton; Kang, Yanyong; He, Yuanzheng; Liu, Wei; Ishchenko, Andrii; White, Thomas A.; Yefanov, Oleksandr; Han, Gye Won; Xu, Qingping; de Waal, Parker W.; Suino-Powell, Kelly M.; Boutet, Sébastien; Williams, Garth J.; Wang, Meitian; Li, Dianfan; Caffrey, Martin; Chapman, Henry N.; Spence, John C. H.; Fromme, Petra; Weierstall, Uwe; Stevens, Raymond C.; Cherezov, Vadim; Melcher, Karsten; Xu, H. Eric

2016-04-01

Serial femtosecond X-ray crystallography (SFX) using an X-ray free electron laser (XFEL) is a recent advancement in structural biology for solving crystal structures of challenging membrane proteins, including G-protein coupled receptors (GPCRs), which often only produce microcrystals. An XFEL delivers highly intense X-ray pulses of femtosecond duration short enough to enable the collection of single diffraction images before significant radiation damage to crystals sets in. Here we report the deposition of the XFEL data and provide further details on crystallization, XFEL data collection and analysis, structure determination, and the validation of the structural model. The rhodopsin-arrestin crystal structure solved with SFX represents the first near-atomic resolution structure of a GPCR-arrestin complex, provides structural insights into understanding of arrestin-mediated GPCR signaling, and demonstrates the great potential of this SFX-XFEL technology for accelerating crystal structure determination of challenging proteins and protein complexes.

X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex.

PubMed

Zhou, X Edward; Gao, Xiang; Barty, Anton; Kang, Yanyong; He, Yuanzheng; Liu, Wei; Ishchenko, Andrii; White, Thomas A; Yefanov, Oleksandr; Han, Gye Won; Xu, Qingping; de Waal, Parker W; Suino-Powell, Kelly M; Boutet, Sébastien; Williams, Garth J; Wang, Meitian; Li, Dianfan; Caffrey, Martin; Chapman, Henry N; Spence, John C H; Fromme, Petra; Weierstall, Uwe; Stevens, Raymond C; Cherezov, Vadim; Melcher, Karsten; Xu, H Eric

2016-04-12

Serial femtosecond X-ray crystallography (SFX) using an X-ray free electron laser (XFEL) is a recent advancement in structural biology for solving crystal structures of challenging membrane proteins, including G-protein coupled receptors (GPCRs), which often only produce microcrystals. An XFEL delivers highly intense X-ray pulses of femtosecond duration short enough to enable the collection of single diffraction images before significant radiation damage to crystals sets in. Here we report the deposition of the XFEL data and provide further details on crystallization, XFEL data collection and analysis, structure determination, and the validation of the structural model. The rhodopsin-arrestin crystal structure solved with SFX represents the first near-atomic resolution structure of a GPCR-arrestin complex, provides structural insights into understanding of arrestin-mediated GPCR signaling, and demonstrates the great potential of this SFX-XFEL technology for accelerating crystal structure determination of challenging proteins and protein complexes.

X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, X. Edward; Gao, Xiang; Barty, Anton

Here, serial femtosecond X-ray crystallography (SFX) using an X-ray free electron laser (XFEL) is a recent advancement in structural biology for solving crystal structures of challenging membrane proteins, including G-protein coupled receptors (GPCRs), which often only produce microcrystals. An XFEL delivers highly intense X-ray pulses of femtosecond duration short enough to enable the collection of single diffraction images before significant radiation damage to crystals sets in. Here we report the deposition of the XFEL data and provide further details on crystallization, XFEL data collection and analysis, structure determination, and the validation of the structural model. The rhodopsin-arrestin crystal structure solvedmore » with SFX represents the first near-atomic resolution structure of a GPCR-arrestin complex, provides structural insights into understanding of arrestin-mediated GPCR signaling, and demonstrates the great potential of this SFX-XFEL technology for accelerating crystal structure determination of challenging proteins and protein complexes.« less

X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex

PubMed Central

Zhou, X. Edward; Gao, Xiang; Barty, Anton; Kang, Yanyong; He, Yuanzheng; Liu, Wei; Ishchenko, Andrii; White, Thomas A.; Yefanov, Oleksandr; Han, Gye Won; Xu, Qingping; de Waal, Parker W.; Suino-Powell, Kelly M.; Boutet, Sébastien; Williams, Garth J.; Wang, Meitian; Li, Dianfan; Caffrey, Martin; Chapman, Henry N.; Spence, John C.H.; Fromme, Petra; Weierstall, Uwe; Stevens, Raymond C.; Cherezov, Vadim; Melcher, Karsten; Xu, H. Eric

2016-01-01

Serial femtosecond X-ray crystallography (SFX) using an X-ray free electron laser (XFEL) is a recent advancement in structural biology for solving crystal structures of challenging membrane proteins, including G-protein coupled receptors (GPCRs), which often only produce microcrystals. An XFEL delivers highly intense X-ray pulses of femtosecond duration short enough to enable the collection of single diffraction images before significant radiation damage to crystals sets in. Here we report the deposition of the XFEL data and provide further details on crystallization, XFEL data collection and analysis, structure determination, and the validation of the structural model. The rhodopsin-arrestin crystal structure solved with SFX represents the first near-atomic resolution structure of a GPCR-arrestin complex, provides structural insights into understanding of arrestin-mediated GPCR signaling, and demonstrates the great potential of this SFX-XFEL technology for accelerating crystal structure determination of challenging proteins and protein complexes. PMID:27070998

X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex

DOE PAGES

Zhou, X. Edward; Gao, Xiang; Barty, Anton; ...

2016-04-12

Here, serial femtosecond X-ray crystallography (SFX) using an X-ray free electron laser (XFEL) is a recent advancement in structural biology for solving crystal structures of challenging membrane proteins, including G-protein coupled receptors (GPCRs), which often only produce microcrystals. An XFEL delivers highly intense X-ray pulses of femtosecond duration short enough to enable the collection of single diffraction images before significant radiation damage to crystals sets in. Here we report the deposition of the XFEL data and provide further details on crystallization, XFEL data collection and analysis, structure determination, and the validation of the structural model. The rhodopsin-arrestin crystal structure solvedmore » with SFX represents the first near-atomic resolution structure of a GPCR-arrestin complex, provides structural insights into understanding of arrestin-mediated GPCR signaling, and demonstrates the great potential of this SFX-XFEL technology for accelerating crystal structure determination of challenging proteins and protein complexes.« less

Extracting Galaxy Cluster Gas Inhomogeneity from X-Ray Surface Brightness: A Statistical Approach and Application to Abell 3667

NASA Astrophysics Data System (ADS)

Kawahara, Hajime; Reese, Erik D.; Kitayama, Tetsu; Sasaki, Shin; Suto, Yasushi

2008-11-01

Our previous analysis indicates that small-scale fluctuations in the intracluster medium (ICM) from cosmological hydrodynamic simulations follow the lognormal probability density function. In order to test the lognormal nature of the ICM directly against X-ray observations of galaxy clusters, we develop a method of extracting statistical information about the three-dimensional properties of the fluctuations from the two-dimensional X-ray surface brightness. We first create a set of synthetic clusters with lognormal fluctuations around their mean profile given by spherical isothermal β-models, later considering polytropic temperature profiles as well. Performing mock observations of these synthetic clusters, we find that the resulting X-ray surface brightness fluctuations also follow the lognormal distribution fairly well. Systematic analysis of the synthetic clusters provides an empirical relation between the three-dimensional density fluctuations and the two-dimensional X-ray surface brightness. We analyze Chandra observations of the galaxy cluster Abell 3667, and find that its X-ray surface brightness fluctuations follow the lognormal distribution. While the lognormal model was originally motivated by cosmological hydrodynamic simulations, this is the first observational confirmation of the lognormal signature in a real cluster. Finally we check the synthetic cluster results against clusters from cosmological hydrodynamic simulations. As a result of the complex structure exhibited by simulated clusters, the empirical relation between the two- and three-dimensional fluctuation properties calibrated with synthetic clusters when applied to simulated clusters shows large scatter. Nevertheless we are able to reproduce the true value of the fluctuation amplitude of simulated clusters within a factor of 2 from their two-dimensional X-ray surface brightness alone. Our current methodology combined with existing observational data is useful in describing and inferring the statistical properties of the three-dimensional inhomogeneity in galaxy clusters.

Novel Drift Structures for Silicon and Compound Semiconductor X-Ray and Gamma-Ray Detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bradley E. Patt; Jan S. Iwanczyk

Recently developed silicon- and compound-semiconductor-based drift detector structures have produced excellent performance for charged particles, X rays, and gamma rays and for low-signal visible light detection. The silicon drift detector (SDD) structures that we discuss relate to direct X-ray detectors and scintillation photon detectors coupled with scintillators for gamma rays. Recent designs include several novel features that ensure very low dark current (both bulk silicon dark current and surface dark current) and hence low noise. In addition, application of thin window technology ensures a very high quantum efficiency entrance window on the drift photodetector.

Thermal expansion behavior study of Co nanowire array with in situ x-ray diffraction and x-ray absorption fine structure techniques

NASA Astrophysics Data System (ADS)

Mo, Guang; Cai, Quan; Jiang, Longsheng; Wang, Wei; Zhang, Kunhao; Cheng, Weidong; Xing, Xueqing; Chen, Zhongjun; Wu, Zhonghua

2008-10-01

In situ x-ray diffraction and x-ray absorption fine structure techniques were used to study the structural change of ordered Co nanowire array with temperature. The results show that the Co nanowires are polycrystalline with hexagonal close packed structure without phase change up until 700 °C. A nonlinear thermal expansion behavior has been found and can be well described by a quadratic equation with the first-order thermal expansion coefficient of 4.3×10-6/°C and the second-order thermal expansion coefficient of 5.9×10-9/°C. The mechanism of this nonlinear thermal expansion behavior is discussed.

Simultaneous parameter optimization of x-ray and neutron reflectivity data using genetic algorithms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Surendra, E-mail: surendra@barc.gov.in; Basu, Saibal

2016-05-23

X-ray and neutron reflectivity are two non destructive techniques which provide a wealth of information on thickness, structure and interracial properties in nanometer length scale. Combination of X-ray and neutron reflectivity is well suited for obtaining physical parameters of nanostructured thin films and superlattices. Neutrons provide a different contrast between the elements than X-rays and are also sensitive to the magnetization depth profile in thin films and superlattices. The real space information is extracted by fitting a model for the structure of the thin film sample in reflectometry experiments. We have applied a Genetic Algorithms technique to extract depth dependentmore » structure and magnetic in thin film and multilayer systems by simultaneously fitting X-ray and neutron reflectivity data.« less

Spectroscopic imaging, diffraction, and holography with x-ray photoemission

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-02-01

X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimentalmore » fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons.« less

X-ray structure determination using low-resolution electron microscopy maps for molecular replacement

DOE PAGES

Jackson, Ryan N.; McCoy, Airlie J.; Terwilliger, Thomas C.; ...

2015-07-30

Structures of multi-subunit macromolecular machines are primarily determined by either electron microscopy (EM) or X-ray crystallography. In many cases, a structure for a complex can be obtained at low resolution (at a coarse level of detail) with EM and at higher resolution (with finer detail) by X-ray crystallography. The integration of these two structural techniques is becoming increasingly important for generating atomic models of macromolecular complexes. A low-resolution EM image can be a powerful tool for obtaining the "phase" information that is missing from an X-ray crystallography experiment, however integration of EM and X-ray diffraction data has been technically challenging.more » Here we show a step-by-step protocol that explains how low-resolution EM maps can be placed in the crystallographic unit cell by molecular replacement, and how initial phases computed from the placed EM density are extended to high resolution by averaging maps over non-crystallographic symmetry. As the resolution gap between EM and Xray crystallography continues to narrow, the use of EM maps to help with X-ray crystal structure determination, as described in this protocol, will become increasingly effective.« less

Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses

NASA Astrophysics Data System (ADS)

Kurta, Ruslan P.; Donatelli, Jeffrey J.; Yoon, Chun Hong; Berntsen, Peter; Bielecki, Johan; Daurer, Benedikt J.; DeMirci, Hasan; Fromme, Petra; Hantke, Max Felix; Maia, Filipe R. N. C.; Munke, Anna; Nettelblad, Carl; Pande, Kanupriya; Reddy, Hemanth K. N.; Sellberg, Jonas A.; Sierra, Raymond G.; Svenda, Martin; van der Schot, Gijs; Vartanyants, Ivan A.; Williams, Garth J.; Xavier, P. Lourdu; Aquila, Andrew; Zwart, Peter H.; Mancuso, Adrian P.

2017-10-01

We use extremely bright and ultrashort pulses from an x-ray free-electron laser (XFEL) to measure correlations in x rays scattered from individual bioparticles. This allows us to go beyond the traditional crystallography and single-particle imaging approaches for structure investigations. We employ angular correlations to recover the three-dimensional (3D) structure of nanoscale viruses from x-ray diffraction data measured at the Linac Coherent Light Source. Correlations provide us with a comprehensive structural fingerprint of a 3D virus, which we use both for model-based and ab initio structure recovery. The analyses reveal a clear indication that the structure of the viruses deviates from the expected perfect icosahedral symmetry. Our results anticipate exciting opportunities for XFEL studies of the structure and dynamics of nanoscale objects by means of angular correlations.

Structure and Dynamics of Coronal Plasma

NASA Technical Reports Server (NTRS)

Golub, Leon

1998-01-01

Brief summaries of the four published papers produced within the present performance period of NASA Grant NAGW-4081 are presented. The full text of the papers are appended to the report. The first paper titled "Coronal Structures Observed in X-rays and H-alpa Structures" was published in the Kofu Symposium proceedings. The study analyzes cool and hot behavior of two x-ray events, a small flare and a surge. It was found that a large H-alpha surge appears in x-rays as a very weak event, while a weak H-alpha feature corresponds to the brightest x-ray emission on the disk at the time of the observation. Calculations of the heating necessary to produce these signatures, and implications for the driving and heating mechanisms of flares vs. surges are presented. The second paper "Differential Magnetic Field Shear in an Active Region" has been published in The Astrophysical Journal. The study compared the three dimensional extrapolation of magnetic fields with the observed coronal structure in an active region. Based on the fit between observed coronal structure throughout the volume of the region and the calculated magnetic field configurations, the authors propose a differential magnetic field shear model for this active region. The decreasing field shear in the outer portions of the AR may indicate a continual relaxation of the magnetic field with time, corresponding to a net transport of helicity outward. The third paper "Difficulties in Observing Coronal Structure" has been published in the journal Solar Physics. This paper discusses the evidence that the temperature and density structure of the corona are far more complicated than had previously been thought. The discussion is based on five studies carried out by the group on coronal plasma properties, showing that any one x-ray instrument does see all of the plasma present in the corona, that hot and cool material may appear to be co-spatial at a given location in the corona, and that simple magnetic field extrapolations provide only a poor fit to the observed structure. The fourth paper "Analysis and Comparison of Loop Structures Imaged with NIXT and Yohkoh/SXT" has been published in Astronomy and Astrophysics. This paper analyzes and compares a variety of coronal loops, deriving loop pressure and emission measure from loop models. They are able to determine the volume filling factor in the corona, which is found to be in the range 0.001 to 0.01 for compact loops, and of order 1 for large structures. The small values suggest highly filamented structures, especially at lower temperatures.

Exploring interface morphology of a deeply buried layer in periodic multilayer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, Gangadhar; Srivastava, A. K.; Tiwari, M. K., E-mail: mktiwari@rrcat.gov.in

2016-06-27

Long-term durability of a thin film device is strongly correlated with the nature of interface structure associated between different constituent layers. Synthetic periodic multilayer structures are primarily employed as artificial X-ray Bragg reflectors in many applications, and their reflection efficiency is predominantly dictated by the nature of the buried interfaces between the different layers. Herein, we demonstrate the applicability of the combined analysis approach of the X-ray reflectivity and grazing incidence X-ray fluorescence measurements for the reliable and precise determination of a buried interface structure inside periodic X-ray multilayer structures. X-ray standing wave field (XSW) generated under Bragg reflection conditionmore » is used to probe the different constituent layers of the W- B{sub 4}C multilayer structure at 10 keV and 12 keV incident X-ray energies. Our results show that the XSW assisted fluorescence measurements are markedly sensitive to the location and interface morphology of a buried layer structure inside a periodic multilayer structure. The cross sectional transmission electron microscopy results obtained on the W-B{sub 4}C multilayer structure provide a deeper look on the overall reliability and accuracy of the XSW method. The method described here would also be applicable for nondestructive characterization of a wide range of thin film based semiconductor and optical devices.« less

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

NASA Astrophysics Data System (ADS)

Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; Ozkan, C.; Störmer, M.; Toleikis, S.; Tschentscher, Th; Heimann, P. A.; Dorchies, F.

2014-04-01

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called ``molecular movie'' within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level of the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

PubMed Central

Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; Ozkan, C.; Störmer, M.; Toleikis, S.; Tschentscher, Th; Heimann, P. A.; Dorchies, F.

2014-01-01

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called “molecular movie” within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level of the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes. PMID:24740172

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

DOE PAGES

Gaudin, J.; Fourment, C.; Cho, B. I.; ...

2014-04-17

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called “molecular movie” within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level ofmore » the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.« less

Telescope for x ray and gamma ray studies in astrophysics

NASA Technical Reports Server (NTRS)

Weaver, W. D.; Desai, Upendra D.

1993-01-01

Imaging of x-rays has been achieved by various methods in astrophysics, nuclear physics, medicine, and material science. A new method for imaging x-ray and gamma-ray sources avoids the limitations of previously used imaging devices. Images are formed in optical wavelengths by using mirrors or lenses to reflect and refract the incoming photons. High energy x-ray and gamma-ray photons cannot be reflected except at grazing angles and pass through lenses without being refracted. Therefore, different methods must be used to image x-ray and gamma-ray sources. Techniques using total absorption, or shadow casting, can provide images in x-rays and gamma-rays. This new method uses a coder made of a pair of Fresnel zone plates and a detector consisting of a matrix of CsI scintillators and photodiodes. The Fresnel zone plates produce Moire patterns when illuminated by an off-axis source. These Moire patterns are deconvolved using a stepped sine wave fitting or an inverse Fourier transform. This type of coder provides the capability of an instantaneous image with sub-arcminute resolution while using a detector with only a coarse position-sensitivity. A matrix of the CsI/photodiode detector elements provides the necessary coarse position-sensitivity. The CsI/photodiode detector also allows good energy resolution. This imaging system provides advantages over previously used imaging devices in both performance and efficiency.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagata, Kohki, E-mail: nagata.koki@iri-tokyo.jp; School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571; Ogura, Atsushi

The effects of the fabrication process conditions on the microstructure of silicon dioxide thin films of <10 nm thickness are presented. The microstructure was investigated using grazing-incidence wide and small-angle X-ray scattering methods with synchrotron radiation. The combination of a high brilliance light source and grazing incident configuration enabled the observation of very weak diffuse X-ray scattering from SiO{sub 2} thin films. The results revealed different microstructures, which were dependent on oxidizing species or temperature. The micro-level properties differed from bulk properties reported in the previous literature. It was indicated that these differences originate from inner stress. The detailed structure inmore » an amorphous thin film was not revealed owing to detection difficulties.« less

Low-dimensional ordering and fluctuations in methanol-{beta}-hydroquinone clathrate studied by x-ray and neutron diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rheinstaedter, Maikel C.; Enderle, Mechthild; Kloepperpieper, Axel

2005-01-01

Methanol-{beta}-hydroquinone clathrate has been established as a model system for dielectric ordering and fluctuations and is conceptually close to magnetic spin systems. In x-ray and neutron diffraction experiments, we investigated the ordered structure, the one-dimensional (1D) and the three-dimensional critical scattering in the paraelectric phase, and the temperature dependence of the lattice constants. Our results can be explained by microscopic models of the methanol pseudospin in the hydroquinone cage network, in consistency with previous dielectric investigations. A coupling of the 1D fluctuations to local strains leads to an anomalous temperature dependence of the 1D lattice parameter in the paraelectric regime.

Solvent exchange in a metal–organic framework single crystal monitored by dynamic in situ X-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cox, Jordan M.; Walton, Ian M.; Bateman, Gage

2017-07-25

Understanding the processes by which porous solid-state materials adsorb and release guest molecules would represent a significant step towards developing rational design principles for functional porous materials. To elucidate the process of liquid exchange in these materials, dynamicin situX-ray diffraction techniques have been developed which utilize liquid-phase chemical stimuli. Using these time-resolved diffraction techniques, the ethanol solvation process in a flexible metal–organic framework [Co(AIP)(bpy) 0.5(H 2O)]·2H 2O was examined. The measurements provide important insight into the nature of the chemical transformation in this system including the presence of a previously unreported neat ethanol solvate structure.

An X-ray survey of nine historical novae. [HEAO 2 observations

NASA Technical Reports Server (NTRS)

Becker, R. H.; Marshall, F. E.

1980-01-01

The Einstein Observatory imaging proportional counter was used to search for X-ray emission from nine nearby historical novae. Six of the novae were detected with estimated X-ray intensities between .1 to 4 keV of 10 to the -13th power to 10 to the -11th power ergs/sq cm-s, comparable to the intensities of previously detected cataclysmic variables. The X-ray intensity of one of the novae, V603 Aql, varies over times of several hundred seconds. The data suggest a correlation between the decay rate of the historical outburst and the current X-ray luminosity. Alternatively, the X-ray luminosity may be related to the inclination of the binary system.

21 CFR 892.1650 - Image-intensified fluoroscopic x-ray system.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Image-intensified fluoroscopic x-ray system. 892... fluoroscopic x-ray system. (a) Identification. An image-intensified fluoroscopic x-ray system is a device intended to visualize anatomical structures by converting a pattern of x-radiation into a visible image...

21 CFR 892.1650 - Image-intensified fluoroscopic x-ray system.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Image-intensified fluoroscopic x-ray system. 892... fluoroscopic x-ray system. (a) Identification. An image-intensified fluoroscopic x-ray system is a device intended to visualize anatomical structures by converting a pattern of x-radiation into a visible image...

The use of C-near edge X-ray absorption fine structure spectroscopy for the elaboration of chemistry in lignocellulosics

Treesearch

Lucian A. Lucia; Hiroki Nanko; Alan W. Rudie; Doug G. Mancosky; Sue Wirick

2006-01-01

The research presented elucidates the oxidation chemistry occurring in hydrogen peroxide bleached kraft pulp fibers by employing carbon near edge x-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft x-ray technique that selectively interrogates atomic moieties using photoelectrons (Xrays) of variable energies. The X1A beam line at the National...

Chandra X-Ray Observatory Image of Crab Nebula

NASA Technical Reports Server (NTRS)

1999-01-01

After barely 2 months in space, the Chandra X-Ray Observatory (CXO) took this sturning image of the Crab Nebula, the spectacular remains of a stellar explosion, revealing something never seen before, a brilliant ring around the nebula's heart. The image shows the central pulsar surrounded by tilted rings of high-energy particles that appear to have been flung outward over a distance of more than a light-year from the pulsar. Perpendicular to the rings, jet-like structures produced by high-energy particles blast away from the pulsar. Hubble Space Telescope images have shown moving knots and wisps around the neutron star, and previous x-ray images have shown the outer parts of the jet and hinted at the ring structure. With CXO's exceptional resolution, the jet can be traced all the way in to the neutron star, and the ring pattern clearly appears. The image was made with CXO's Advanced Charge-Coupled Device (CCD) Imaging Spectrometer (ACIS) and High Energy Transmission Grating. The Crab Nebula, easily the most intensively studied object beyond our solar system, has been observed using virtually every astronomical instrument that could see that part of the sky

Radiation-induced changes in mouse duodenal papilla.

PubMed

Indran, M; Carr, K E; Boyle, F C

1988-11-01

Radiation-induced changes in duodenal mucosal morphology as seen by scanning electron microscopy have been widely reported in the literature. However, no comment has previously been made on any post-irradiation alteration in the duodenal papilla. This paper describes the preliminary results of an investigation into the effects of X rays on the papilla. The duodenal papilla was difficult to find in untreated and sham irradiated mice. It was identified in only two of six mice examined and was located 5.37 and 4.43 mm from the gastroduodenal junction. Eighteen hours after irradiation with 15 Gy X rays, there was little change in position or prominence of the papilla. However, 3 days after treatment, the papilla was only 2.19-3.83 mm from the pylorus. It was also more prominent, being found in all three animals studied and having a widely dilated orifice in contrast to the closed structure seen in the unirradiated specimens. It is concluded that treatment with X rays alters the structure of the duodenal papilla. There may be implications for duodenal function in this marked change in the papilla, which controls the flow of pancreatic and biliary secretions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wunderle, K; Wayne State University School of Medicine, Detroit, MI; Godley, A

Purpose: The purpose of this investigation is to characterize and quantify X-ray beam profiles for fluoroscopic x-ray beam spectra incorporating spectral (copper) filtration. Methods: A PTW (Freiburg, Germany) type 60016 silicon diode detector and PTW MP3 water tank were used to measure X-ray beam profiles for 60, 80, 100 and 120 kVp x-ray beams at five different copper filtration thicknesses ranging from 0–0.9 mm at 22 and 42 cm fields of view and depths of 1, 5, and 10 cm in both the anode-cathode axis (inplane) and cross-plane directions. All measurements were acquired on a Siemens (Erlangen, Germany) Artis ZeeGomore » fluoroscope inverted from the typical orientation providing an x-ray beam originating from above the water surface with the water level set at 60 cm from the focal spot. Results: X-ray beam profiles for beam spectra without copper filtration compared well to previously published data by Fetterly et al. [Med Phys, 28, 205 (2001)]. Our data collection benefited from the geometric orientation of the fluoroscope, providing a beam perpendicular to the tank water surface, rather than through a thin side wall as did the previously mentioned study. Profiles for beams with copper filtration were obtained which have not been previously investigated and published. Beam profiles in the anode-cathode axis near the surface and at lower x-ray energy exhibited substantial heel effect, which became less pronounced at greater depth. At higher energy with copper filtration in the beam, the dose falloff out-of-field became less pronounced, as would be anticipated given higher scatter photon energy. Conclusion: The x-ray beam profile data for the fluoroscopic x-ray beams incorporating copper filtration are intended for use as reference data for estimating doses to organs or soft tissue, including fetal dose, involving similar beam qualities or for comparison with mathematical models.« less

OSO-8 X-ray spectra of clusters of galaxies. 2: Discussion. [hot intracluster gas structures

NASA Technical Reports Server (NTRS)

Smith, B. W.; Mushotzky, R. F.; Serlemitsos, P. J.

1978-01-01

X-ray spectral parameters obtained from 2 to 20 keV OSO-8 data on X-ray clusters and optical cluster properties were examined to obtain information for restricting models for hot intracluster gas structures. Topics discussed include the radius of the X-ray core in relation to the galaxy core radius, the viral mass of hotter clusters, and galaxy density and optical central cluster properties. A population of cool, dim X-ray clusters which have not been observed is predicted. The iron abundance determinations recently quoted for intracluster gas are uncertain by 50 to greater than 100 percent from this nonstatistical cause alone.

Newly Uncovered Large-Scale Component of the Northern Jet in R Aqr

NASA Astrophysics Data System (ADS)

Montez, Rodolfo; Karovska, Margarita; Nichols, Joy S.; Kashyap, Vinay

2017-06-01

R Aqr is a symbiotic system comprised a compact white dwarf and Mira giant star. The interaction of these stars is responsible for the presence of a two-sided jet structure that is seen across the electromagnetic spectrum. X-ray emission from the jet was first discovered in 2000 with an observation by the Chandra X-ray Observatory. Since then follow-up observations have traced the evolution of the X-ray emission from the jet and a central compact source. In X-rays, the NE jet is brighter than the SW jet, but the full extent of the SW jet was larger - before it began fading below the detection threshold. However, we have uncovered evidence for large-scale emission associated with the NE jet that matches the extent of the SW jet. The emission has escaped previous identification because it is near the detection threshold, but it has been present since the first 2000 observation and clearly evolves in subsequent observations. We present our study of the emission from this component of the NE jet, its relationship to multiwavelength observations, and how it impacts our interpretation of the jet-phenomenon in R Aqr.

Nuclear Physical Uncertainties in Modeling X-Ray Bursts

NASA Astrophysics Data System (ADS)

Regis, Eric; Amthor, A. Matthew

2017-09-01

Type I x-ray bursts occur when a neutron star accretes material from the surface of another star in a compact binary star system. For certain accretion rates and material compositions, much of the nuclear material is burned in short, explosive bursts. Using a one-dimensional stellar model, Kepler, and a comprehensive nuclear reaction rate library, ReacLib, we have simulated chains of type I x-ray bursts. Unfortunately, there are large remaining uncertainties in the nuclear reaction rates involved, since many of the isotopes reacting are unstable and have not yet been studied experimentally. Some individual reactions, when varied within their estimated uncertainty, alter the light curves dramatically. This limits our ability to understand the structure of the neutron star. Previous studies have looked at the effects of individual reaction rate uncertainties. We have applied a Monte Carlo method ``-simultaneously varying a set of reaction rates'' -in order to probe the expected uncertainty in x-ray burst behaviour due to the total uncertainty in all nuclear reaction rates. Furthermore, we aim to discover any nonlinear effects due to the coupling between different reaction rates. Early results show clear non-linear effects. This research was made possible by NSF-DUE Grant 1317446, BUScholars Program.

Dolomite-II: A new high pressure polymorph of CaMg(CO3)2

NASA Astrophysics Data System (ADS)

Santillan, J.; Williams, Q.; Knittle, E.

2002-12-01

We have measured the infrared spectra and x-ray diffraction of CaMg(CO3)2-dolomite to pressures of 50 GPa at 300 K. We observe both splittings and disappearances of x-ray diffraction peaks between 15 and 20 GPa, as well as new bands in the infrared spectrum of dolomite. The onset of the changes in both the x-ray and infrared data appears to be gradual, and thus kinetically impeded: this is consistent with previous shock results. The infrared and x-ray data are consistent with dolomite adopting a calcite-III-like structure. The net volume change associated with the transition based on a calcite-III monoclinic unit cell is ~4 percent. We calculate that the high pressure phase of dolomite has a volume virtually indistinguishable from that of magnesite plus aragonite. Similarly, an assemblage of the high pressure phase of dolomite and magnesium silicate perovskite has an essentially volume to a magnesite plus calcium silicate perovskite assemblage. Our results thus indicate that high-pressure polymorphism in dolomite could stabilize CaMg(CO3)2 in the deep mantle, and thus that high-pressure polymorphs of dolomite could represent the main reservoir for carbon storage within Earth's lower mantle.

The STS-93 crew takes part in payload familiarization of the Chandra X-ray Observatory

NASA Technical Reports Server (NTRS)

1999-01-01

A TRW technician joins STS-93 Commander Eileen Collins (center) and Pilot Jeffrey S. Ashby (right) as they observe the Chandra X- ray Observatory on its work stand inside the Vertical Processing Facility. Other members of the STS-93 crew who are at KSC for payload familiarization are Mission Specialists Catherine G. Coleman and Michel Tognini of France, who represents the Centre National d'Etudes Spatiales (CNES). Collins is the first woman to serve as a shuttle mission commander. She was the first woman pilot of a Space Shuttle, on mission STS-63, and also served as pilot on mission STS-84. The fifth member of the crew is Mission Specialist Steven A. Hawley. Chandra is scheduled for launch July 9 aboard Space Shuttle Columbia, on mission STS-93 . Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe.

X-Ray Astronomy

NASA Technical Reports Server (NTRS)

Wu, S. T.

2000-01-01

Dr. S. N. Zhang has lead a seven member group (Dr. Yuxin Feng, Mr. XuejunSun, Mr. Yongzhong Chen, Mr. Jun Lin, Mr. Yangsen Yao, and Ms. Xiaoling Zhang). This group has carried out the following activities: continued data analysis from space astrophysical missions CGRO, RXTE, ASCA and Chandra. Significant scientific results have been produced as results of their work. They discovered the three-layered accretion disk structure around black holes in X-ray binaries; their paper on this discovery is to appear in the prestigious Science magazine. They have also developed a new method for energy spectral analysis of black hole X-ray binaries; four papers on this topics were presented at the most recent Atlanta AAS meeting. They have also carried Monte-Carlo simulations of X-ray detectors, in support to the hardware development efforts at Marshall Space Flight Center (MSFC). These computation-intensive simulations have been carried out entirely on the computers at UAH. They have also carried out extensive simulations for astrophysical applications, taking advantage of the Monte-Carlo simulation codes developed previously at MSFC and further improved at UAH for detector simulations. One refereed paper and one contribution to conference proceedings have been resulted from this effort.

SOLEIL shining on the solution-state structure of biomacromolecules by synchrotron X-ray footprinting at the Metrology beamline.

PubMed

Baud, A; Aymé, L; Gonnet, F; Salard, I; Gohon, Y; Jolivet, P; Brodolin, K; Da Silva, P; Giuliani, A; Sclavi, B; Chardot, T; Mercère, P; Roblin, P; Daniel, R

2017-05-01

Synchrotron X-ray footprinting complements the techniques commonly used to define the structure of molecules such as crystallography, small-angle X-ray scattering and nuclear magnetic resonance. It is remarkably useful in probing the structure and interactions of proteins with lipids, nucleic acids or with other proteins in solution, often better reflecting the in vivo state dynamics. To date, most X-ray footprinting studies have been carried out at the National Synchrotron Light Source, USA, and at the European Synchrotron Radiation Facility in Grenoble, France. This work presents X-ray footprinting of biomolecules performed for the first time at the X-ray Metrology beamline at the SOLEIL synchrotron radiation source. The installation at this beamline of a stopped-flow apparatus for sample delivery, an irradiation capillary and an automatic sample collector enabled the X-ray footprinting study of the structure of the soluble protein factor H (FH) from the human complement system as well as of the lipid-associated hydrophobic protein S3 oleosin from plant seed. Mass spectrometry analysis showed that the structural integrity of both proteins was not affected by the short exposition to the oxygen radicals produced during the irradiation. Irradiated molecules were subsequently analysed using high-resolution mass spectrometry to identify and locate oxidized amino acids. Moreover, the analyses of FH in its free state and in complex with complement C3b protein have allowed us to create a map of reactive solvent-exposed residues on the surface of FH and to observe the changes in oxidation of FH residues upon C3b binding. Studies of the solvent accessibility of the S3 oleosin show that X-ray footprinting offers also a unique approach to studying the structure of proteins embedded within membranes or lipid bodies. All the biomolecular applications reported herein demonstrate that the Metrology beamline at SOLEIL can be successfully used for synchrotron X-ray footprinting of biomolecules.

Common structural features of toxic intermediates from α-synuclein and GroES fibrillogenesis detected using cryogenic coherent X-ray diffraction imaging.

PubMed

Kameda, Hiroshi; Usugi, Sayaka; Kobayashi, Mana; Fukui, Naoya; Lee, Seki; Hongo, Kunihiro; Mizobata, Tomohiro; Sekiguchi, Yuki; Masaki, Yu; Kobayashi, Amane; Oroguchi, Tomotaka; Nakasako, Masayoshi; Takayama, Yuki; Yamamoto, Masaki; Kawata, Yasushi

2017-01-01

The aggregation and deposition of α-synuclein (αSyn) in neuronal cells is correlated to pathogenesis of Parkinson's disease. Although the mechanism of αSyn aggregation and fibril formation has been studied extensively, the structural hallmarks that are directly responsible for toxicity toward cells are still under debate. Here, we have compared the structural characteristics of the toxic intermediate molecular species of αSyn and similar toxic species of another protein, GroES, using coherent X-ray diffraction analysis. Using coherent X-ray free electron laser pulses of SACLA, we analysed αSyn and GroES fibril intermediate species and characterized various aggregate structures. Unlike previous studies where an annular oligomeric form of αSyn was identified, particle reconstruction from scattering traces suggested that the specific forms of the toxic particles were varied, with the sizes of the particles falling within a specific range. We did however discover a common structural feature in both αSyn and GroES samples; the edges of the detected particles were nearly parallel and produced a characteristic diffraction pattern in the diffraction experiments. The presence of parallel-edged particles in toxic intermediates of αSyn and GroES fibrillogenesis pointed towards a plausible common molecular interface that leads to the formation of mature fibrils. © The Authors 2016. Published by Oxford University Press on behalf of the Japanese Biochemical Society. All rights reserved.

An In-depth Chandra ACIS View Of The Circumnuclear Region Of NGC 4151: The Jet, The Biconical Outflow, And A Leaky Torus

NASA Astrophysics Data System (ADS)

Wang, Junfeng; Fabbiano, G.; Elvis, M.; Risaliti, G.; Karovska, M.; Zezas, A.; Mundell, C. G.

2011-05-01

We report on the imaging analysis of 200 ks Chandra ACIS-S observations of the nearby Seyfert 1 galaxy NGC 4151. Structured soft X-ray emission is observed to extend from 30 pc to 1.5 kpc. We find strong evidence for jet-gas cloud interaction in the inner 150 pc region, confirming our previous HRC results. Self-consistent photoionization models provide good descriptions of the spectra of the optical bi-cone, supporting the dominant role of nuclear photoionization. Presence of both low and high ionization spectral components and extended emission in the X-ray image perpendicular to the bi-cone indicates leakage of nuclear ionization. Using spatially resolved features, we estimate the kinematic power of the outflow in NGC 4151 to be 0.3% of its bolometric luminosity. This work is supported by NASA grant GO8-9101X and GO1-12009X.

X-ray Monitoring of eta Carinae: Variations on a Theme

NASA Technical Reports Server (NTRS)

Corcoran, M. F.

2004-01-01

We present monitoring observations by the Rossi X-ray Timing Explorer of the 2-10 keV X-ray emission from the supermassive star eta Carinae from 1996 through late 2003. These data cover more than one of the stellar variability cycles in temporal detail and include especially detailed monitoring through two X-ray minima. We compare the current X-ray minimum which began on June 29, 2003 to the previous X-ray minimum which began on December 15, 1997, and refine the X-ray period to 2024 days. We examine the variations in the X-ray spectrum with phase and with time, and also refine our understanding of the X-ray peaks which have a quasi-period of 84 days, with significant variation. Cycle-to-cycle differences are seen in the level of X-ray intensity and in the detailed variations of the X-ray flux on the rise to maximum just prior to the X-ray minimum. Despite these differences the similarities between the decline to minimum, the duration of the minimum, and correlated variations of the X-ray flux and other measures throughout the electromagnetic spectrum leave little doubt that that the X-ray variation is strictly periodic and produced by orbital motion as the wind from eta Carinae collides with the wind of an otherwise unseen companion.

Structural and magnetic phase transitions in EuTi 1-xNb xO 3

DOE PAGES

Li, Ling; Morris, James R.; Koehler, Michael R.; ...

2015-07-30

Here, we investigate the structural and magnetic phase transitions in EuTi 1-xNb xO 3 (0≤x≤0.3) with synchrotron powder x-ray diffraction, resonant ultrasound spectroscopy, and magnetization measurements. Upon Nb doping, the Pmmore » $$\\bar{3}$$m ↔ I4/mcm structural transition shifts to higher temperatures and the room temperature lattice parameter increases while the magnitude of the octahedral tilting decreases. In addition, Nb substitution for Ti destabilizes the antiferromagnetic ground state of the parent compound and long-range ferromagnetic order is observed in the samples with x≥0.1. Moreover, the structural transition in pure and doped compounds is marked by a dramatic step-like softening of the elastic moduli near T S, which resembles that of SrTiO 3 and can be adequately modeled using the Landau free energy model employing the same coupling between strain and octahedral tilting order parameter as previously used to model SrTiO 3.« less

Impact of x-ray dose on track formation and data analysis for CR-39-based proton diagnostics

NASA Astrophysics Data System (ADS)

Rinderknecht, H. G.; Rojas-Herrera, J.; Zylstra, A. B.; Frenje, J. A.; Gatu Johnson, M.; Sio, H.; Sinenian, N.; Rosenberg, M. J.; Li, C. K.; Séguin, F. H.; Petrasso, R. D.; Filkins, T.; Steidle, Jeffrey A.; Steidle, Jessica A.; Traynor, N.; Freeman, C.

2015-12-01

The nuclear track detector CR-39 is used extensively for charged particle diagnosis, in particular proton spectroscopy, at inertial confinement fusion facilities. These detectors can absorb x-ray doses from the experiments in the order of 1-100 Gy, the effects of which are not accounted for in the previous detector calibrations. X-ray dose absorbed in the CR-39 has previously been shown to affect the track size of alpha particles in the detector, primarily due to a measured reduction in the material bulk etch rate [Rojas-Herrera et al., Rev. Sci. Instrum. 86, 033501 (2015)]. Similar to the previous findings for alpha particles, protons with energies in the range 0.5-9.1 MeV are shown to produce tracks that are systematically smaller as a function of the absorbed x-ray dose in the CR-39. The reduction of track size due to x-ray dose is found to diminish with time between exposure and etching if the CR-39 is stored at ambient temperature, and complete recovery is observed after two weeks. The impact of this effect on the analysis of data from existing CR-39-based proton diagnostics on OMEGA and the National Ignition Facility is evaluated and best practices are proposed for cases in which the effect of x rays is significant.

Impact of x-ray dose on track formation and data analysis for CR-39-based proton diagnostics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rinderknecht, H. G.; Rojas-Herrera, J.; Zylstra, A. B.

The nuclear track detector CR-39 is used extensively for charged particle diagnosis, in particular proton spectroscopy, at inertial confinement fusion facilities. These detectors can absorb x-ray doses from the experiments in the order of 1–100 Gy, the effects of which are not accounted for in the previous detector calibrations. X-ray dose absorbed in the CR-39 has previously been shown to affect the track size of alpha particles in the detector, primarily due to a measured reduction in the material bulk etch rate [Rojas-Herrera et al., Rev. Sci. Instrum. 86, 033501 (2015)]. Similar to the previous findings for alpha particles, protonsmore » with energies in the range 0.5–9.1 MeV are shown to produce tracks that are systematically smaller as a function of the absorbed x-ray dose in the CR-39. The reduction of track size due to x-ray dose is found to diminish with time between exposure and etching if the CR-39 is stored at ambient temperature, and complete recovery is observed after two weeks. Furthermore, the impact of this effect on the analysis of data from existing CR-39-based proton diagnostics on OMEGA and the National Ignition Facility is evaluated and best practices are proposed for cases in which the effect of x rays is significant.« less

Impact of x-ray dose on track formation and data analysis for CR-39-based proton diagnostics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rinderknecht, H. G., E-mail: rinderknecht1@llnl.gov; Rojas-Herrera, J.; Zylstra, A. B.

The nuclear track detector CR-39 is used extensively for charged particle diagnosis, in particular proton spectroscopy, at inertial confinement fusion facilities. These detectors can absorb x-ray doses from the experiments in the order of 1–100 Gy, the effects of which are not accounted for in the previous detector calibrations. X-ray dose absorbed in the CR-39 has previously been shown to affect the track size of alpha particles in the detector, primarily due to a measured reduction in the material bulk etch rate [Rojas-Herrera et al., Rev. Sci. Instrum. 86, 033501 (2015)]. Similar to the previous findings for alpha particles, protonsmore » with energies in the range 0.5–9.1 MeV are shown to produce tracks that are systematically smaller as a function of the absorbed x-ray dose in the CR-39. The reduction of track size due to x-ray dose is found to diminish with time between exposure and etching if the CR-39 is stored at ambient temperature, and complete recovery is observed after two weeks. The impact of this effect on the analysis of data from existing CR-39-based proton diagnostics on OMEGA and the National Ignition Facility is evaluated and best practices are proposed for cases in which the effect of x rays is significant.« less

Impact of x-ray dose on track formation and data analysis for CR-39-based proton diagnostics

DOE PAGES

Rinderknecht, H. G.; Rojas-Herrera, J.; Zylstra, A. B.; ...

2015-12-23

The nuclear track detector CR-39 is used extensively for charged particle diagnosis, in particular proton spectroscopy, at inertial confinement fusion facilities. These detectors can absorb x-ray doses from the experiments in the order of 1–100 Gy, the effects of which are not accounted for in the previous detector calibrations. X-ray dose absorbed in the CR-39 has previously been shown to affect the track size of alpha particles in the detector, primarily due to a measured reduction in the material bulk etch rate [Rojas-Herrera et al., Rev. Sci. Instrum. 86, 033501 (2015)]. Similar to the previous findings for alpha particles, protonsmore » with energies in the range 0.5–9.1 MeV are shown to produce tracks that are systematically smaller as a function of the absorbed x-ray dose in the CR-39. The reduction of track size due to x-ray dose is found to diminish with time between exposure and etching if the CR-39 is stored at ambient temperature, and complete recovery is observed after two weeks. Furthermore, the impact of this effect on the analysis of data from existing CR-39-based proton diagnostics on OMEGA and the National Ignition Facility is evaluated and best practices are proposed for cases in which the effect of x rays is significant.« less

Simultaneous measurements of X-ray reflectivity and grazing incidence fluorescence at BL-16 beamline of Indus-2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, Gangadhar; Kane, S. R.; Khooha, Ajay

2015-05-15

A new multipurpose x-ray reflectometer station has been developed and augmented at the microfocus beamline (BL-16) of Indus-2 synchrotron radiation source to facilitate synchronous measurements of specular x-ray reflectivity and grazing incidence x-ray fluorescence emission from thin layered structures. The design and various salient features of the x-ray reflectometer are discussed. The performance of the reflectometer has been evaluated by analyzing several thin layered structures having different surface interface properties. The results reveal in-depth information for precise determination of surface and interface properties of thin layered materials demonstrating the immense potential of the combined measurements of x-ray reflectivity and grazingmore » incidence fluorescence on a single reflectometer.« less

X-rays from the radio halo of Virgo A = M87

NASA Technical Reports Server (NTRS)

1985-01-01

The purpose of this study is to investigate in more detail the associated X-ray and radio emission in the Virgo A halo discovered by SGF. Improved Einstein HRI data and new radio maps obtained with the Very Large Array are described and the relation between the X-ray and radio structures is carefully examined. Several possible explanations are presented for the X-ray emission. The inverse compton model is found to be viable only if the magnetic field is variable and substantially weaker than the equipartition value. The principal alternative is excess thermal X-rays due to compression of the intracluster medium by the radio lobe. In either case, the association of such prominent radio and X-ray structures is unique among known radio galaxies.

High energy gamma ray astronomy

NASA Technical Reports Server (NTRS)

Fichtel, Carl E.

1987-01-01

High energy gamma ray astronomy has evolved with the space age. Nonexistent twenty-five years ago, there is now a general sketch of the gamma ray sky which should develop into a detailed picture with the results expected to be forthcoming over the next decade. The galactic plane is the dominant feature of the gamma ray sky, the longitude and latitude distribution being generally correlated with galactic structural features including the spiral arms. Two molecular clouds were already seen. Two of the three strongest gamma ray sources are pulsars. The highly variable X-ray source Cygnus X-3 was seen at one time, but not another in the 100 MeV region, and it was also observed at very high energies. Beyond the Milky Way Galaxy, there is seen a diffuse radiation, whose origin remains uncertain, as well as at least one quasar, 3C 273. Looking to the future, the satellite opportunities for high energy gamma ray astronomy in the near term are the GAMMA-I planned to be launched in late 1987 and the Gamma Ray Observatory, scheduled for launch in 1990. The Gamma Ray Observatory will carry a total of four instruments covering the entire energy range from 30,000 eV to 3 x 10 to the 10th eV with over an order of magnitude increase in sensitivity relative to previous satellite instruments.

Influence of Fabrication Conditions on the Structural and the Magnetic Properties of Co-doped BaFe12O19 Hexaferrites

NASA Astrophysics Data System (ADS)

Tran, Ngo; Kim, Deok Hyeon; Lee, Bo Wha

2018-03-01

BaFe11CoO19 hexaferrites were prepared by using a co-precipitation method and heat treatment. By changing the ion molar ratio of (Fe + Co)/Ba = ( x + 1)/1, we found a clear difference in the crystalline structural and magnetic properties. Particularly, the magnetic properties became optimal at x = 11 - 13 based on the saturation magnetization and coercivity values. The effects of heat treatment on the morphological, structural and magnetic properties were assessed. With the results of thermal gravimetric analyses, X-ray diffraction patterns, and magnetic-field-dependent magnetization, we found that M-type hexaferrite nanocrystals start being formed at a temperature of 650°C, which was much lower than temperatures reported previously.

Clumpy wind accretion in Supergiant X-ray Binaries

NASA Astrophysics Data System (ADS)

El Mellah, I.; Sundqvist, J. O.; Keppens, R.

2017-12-01

Supergiant X-ray binaries (\\sgx) contain a neutron star (NS) orbiting a Supergiant O/B star. The fraction of the dense and fast line-driven wind from the stellar companion which is accreted by the NS is responsible for most of the X-ray emission from those system. Classic \\sgx display photometric variability of their hard X-ray emission, typically from a few 10^{35} to a few 10^{37}erg\\cdots^{-1}. Inhomogeneities (\\aka clumps) in the wind from the star are expected to play a role in this time variability. We run 3D hydrodynamical (HD) finite volume simulations to follow the accretion of the inhomogeneous stellar wind by the NS over almost 3 orders of magnitude. To model the unperturbed wind far upstream the NS, we use recent simulations which managed to resolve its micro-structure. We observe the formation of a Bondi-Hoyle-Lyttleton (BHL) like bow shock around the accretor and follow the clumps as they cross it, down to the NS magnetosphere. Compared to previous estimations discarding the HD effects, we measure lower time variability due to both the damping effect of the shock and the necessity to evacuate angular momentum to enable accretion. We also compute the associated time-variable column density and compare it to recent observations in Vela X-1.

Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

PubMed

Seo, J H; Pedersen, T M; Chang, G S; Moewes, A; Yoo, K-H; Cho, S J; Whang, C N

2007-08-16

The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

Structure of rat acidic fibroblast growth factor at 1.4 Å resolution

PubMed Central

Kulahin, Nikolaj; Kiselyov, Vladislav; Kochoyan, Arthur; Kristensen, Ole; Kastrup, Jette Sandholm; Berezin, Vladimir; Bock, Elisabeth; Gajhede, Michael

2007-01-01

Fibroblast growth factors (FGFs) constitute a family of 22 structurally related heparin-binding polypeptides that are involved in the regulation of cell growth, survival, differentiation and migration. Here, a 1.4 Å resolution X-ray structure of rat FGF1 is presented. Two molecules are present in the asymmetric unit of the crystal and they coordinate a total of five sulfate ions. The structures of human, bovine and newt FGF1 have been published previously. Human and rat FGF1 are found to have very similar structures. PMID:17277441

Revising the Local Bubble Model due to Solar Wind Charge Exchange X-ray Emission

NASA Astrophysics Data System (ADS)

Shelton, Robin L.

The hot Local Bubble surrounding the solar neighborhood has been primarily studied through observations of its soft X-ray emission. The measurements were obtained by attributing all of the observed local soft X-rays to the bubble. However, mounting evidence shows that the heliosphere also produces diffuse X-rays. The source is solar wind ions that have received an electron from another atom. The presence of this alternate explanation for locally produced diffuse X-rays calls into question the existence and character of the Local Bubble. This article addresses these questions. It reviews the literature on solar wind charge exchange (SWCX) X-ray production, finding that SWCX accounts for roughly half of the observed local 1/4 keV X-rays found at low latitudes. This article also makes predictions for the heliospheric O VI column density and intensity, finding them to be smaller than the observational error bars. Evidence for the continued belief that the Local Bubble contains hot gas includes the remaining local 1/4 keV intensity, the observed local O VI column density, and the need to fill the local region with some sort of plasma. If the true Local Bubble is half as bright as previously thought, then its electron density and thermal pressure are 1/sqrt{2} as great as previously thought, and its energy requirements and emission measure are 1/2 as great as previously thought. These adjustments can be accommodated easily, and, in fact, bring the Local Bubble's pressure more in line with that of the adjacent material. Suggestions for future work are made.

Revising the Local Bubble Model due to Solar Wind Charge Exchange X-ray Emission

NASA Astrophysics Data System (ADS)

Shelton, Robin L.

2009-03-01

The hot Local Bubble surrounding the solar neighborhood has been primarily studied through observations of its soft X-ray emission. The measurements were obtained by attributing all of the observed local soft X-rays to the bubble. However, mounting evidence shows that the heliosphere also produces diffuse X-rays. The source is solar wind ions that have received an electron from another atom. The presence of this alternate explanation for locally produced diffuse X-rays calls into question the existence and character of the Local Bubble. This article addresses these questions. It reviews the literature on solar wind charge exchange (SWCX) X-ray production, finding that SWCX accounts for roughly half of the observed local 1/4 keV X-rays found at low latitudes. This article also makes predictions for the heliospheric O VI column density and intensity, finding them to be smaller than the observational error bars. Evidence for the continued belief that the Local Bubble contains hot gas includes the remaining local 1/4 keV intensity, the observed local O VI column density, and the need to fill the local region with some sort of plasma. If the true Local Bubble is half as bright as previously thought, then its electron density and thermal pressure are 1/sqrt{2} as great as previously thought, and its energy requirements and emission measure are 1/2 as great as previously thought. These adjustments can be accommodated easily, and, in fact, bring the Local Bubble’s pressure more in line with that of the adjacent material. Suggestions for future work are made.

Assessing the oxidation states and structural stability of the Ce analogue of brannerite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aluri, Esther Rani; Bachiu, Lisa M.; Grosvenor, Andrew P.

2017-07-04

The Ce-containing analogue of brannerite (ie, UTi2O6) was previously considered to be stoichiometric (ie, CeTi2O6); however, it has recently been determined that the material is O deficient. This oxygen-deficient material has been suggested to be charged balanced by the presence of a minor concentration of Ce3+ or by the A-site being cation deficient with the Ce oxidation state being 4+. A variety of Ti-containing oxides (including brannerite) have been investigated as potential nuclear wasteforms, and it is necessary to understand the electronic structure of a proposed nuclear wasteform material as well as how the structure responds to radiation from incorporatedmore » waste elements. The radiation resistance of a material can be simulated by ion implantation. The objective of this study was to confirm the Ce oxidation state in the cation- and oxygen-deficient material (ie, Ce0.94Ti2O6 - δ) and to determine how radiation damage affects this material. X-ray photoelectron spectroscopy (XPS) and X-ray absorption near-edge spectroscopy were used to study Ce0.94Ti2O6 - δ before and after being implanted with 2 MeV Au- ions. Analysis of the Ce 3d XPS spectra from the as-synthesized samples by using a previously developed fitting method has unequivocally shown that Ce adopts both 4+ (major) and 3+ (minor) oxidation states, which was confirmed by examination of magnetic susceptibility data. Analysis of XPS and X-ray absorption near-edge spectroscopy spectra from ion-implanted materials showed that both Ce and Ti were reduced because of radiation damage and that the local coordination environments of the cations are greatly affected by radiation damage.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyer, Eileen T.; Breiding, Peter; Georganopoulos, Markos

The Chandra X-ray observatory has discovered several dozen anomalously X-ray-bright jets associated with powerful quasars. A popular explanation for the X-ray flux from the knots in these jets is that relativistic synchrotron-emitting electrons inverse-Compton scatter cosmic microwave background (CMB) photons to X-ray energies (the IC/CMB model). This model predicts a high gamma-ray flux that should be detectable by the Fermi /Large Area Telescope (LAT) for many sources. GeV-band upper limits from Fermi /LAT for the well-known anomalous X-ray jet in PKS 0637−752 were previously shown in Meyer et al. to violate the predictions of the IC/CMB model. Previously, measurements ofmore » the jet synchrotron spectrum, important for accurately predicting the gamma-ray flux level, were lacking between radio and infrared wavelengths. Here, we present new Atacama Large Millimeter/submillimeter Array (ALMA) observations of the large-scale jet at 100, 233, and 319 GHz, which further constrain the synchrotron spectrum, supporting the previously published empirical model. We also present updated limits from the Fermi /LAT using the new “Pass 8” calibration and approximately 30% more time on source. With these deeper limits, we rule out the IC/CMB model at the 8.7 σ level. Finally, we demonstrate that complete knowledge of the synchrotron SED is critical in evaluating the IC/CMB model.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaur, Ramanpreet; Kaper, Lex; Ellerbroek, Lucas E.

We present the optical to near-infrared spectrum of MAXI J1659-152 during the onset of its 2010 X-ray outburst. The spectrum was obtained with X-shooter on the ESO Very Large Telescope early in the outburst simultaneous with high-quality observations at both shorter and longer wavelengths. At the time of the observations, the source was in the low-hard state. The X-shooter spectrum includes many broad ({approx}2000 km s{sup -1}), double-peaked emission profiles of H, He I, and He II, characteristic signatures of a low-mass X-ray binary during outburst. We detect no spectral signatures of the low-mass companion star. The strength of themore » diffuse interstellar bands results in a lower limit to the total interstellar extinction of A{sub V} {approx_equal} 0.4 mag. Using the neutral hydrogen column density obtained from the X-ray spectrum we estimate A{sub V} {approx_equal} 1 mag. The radial velocity structure of the interstellar Na I D and Ca II H and K lines results in a lower limit to the distance of {approx}4 {+-} 1 kpc, consistent with previous estimates. With this distance and A{sub V} , the dereddened spectral energy distribution represents a flat disk spectrum. The two 10 minute X-shooter spectra show significant variability in the red wing of the emission-line profiles, indicating a global change in the density structure of the disk, though on a timescale much shorter than the typical viscous timescale of the disk.« less

NuSTAR HARD X-RAY SURVEY OF THE GALACTIC CENTER REGION. I. HARD X-RAY MORPHOLOGY AND SPECTROSCOPY OF THE DIFFUSE EMISSION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mori, Kaya; Hailey, Charles J.; Perez, Kerstin

2015-12-01

We present the first sub-arcminute images of the Galactic Center above 10 keV, obtained with NuSTAR. NuSTAR resolves the hard X-ray source IGR J17456–2901 into non-thermal X-ray filaments, molecular clouds, point sources, and a previously unknown central component of hard X-ray emission (CHXE). NuSTAR detects four non-thermal X-ray filaments, extending the detection of their power-law spectra with Γ ∼ 1.3–2.3 up to ∼50 keV. A morphological and spectral study of the filaments suggests that their origin may be heterogeneous, where previous studies suggested a common origin in young pulsar wind nebulae (PWNe). NuSTAR detects non-thermal X-ray continuum emission spatially correlated with the 6.4more » keV Fe Kα fluorescence line emission associated with two Sgr A molecular clouds: MC1 and the Bridge. Broadband X-ray spectral analysis with a Monte-Carlo based X-ray reflection model self-consistently determined their intrinsic column density (∼10{sup 23} cm{sup −2}), primary X-ray spectra (power-laws with Γ ∼ 2) and set a lower limit of the X-ray luminosity of Sgr A* flare illuminating the Sgr A clouds to L{sub X} ≳ 10{sup 38} erg s{sup −1}. Above ∼20 keV, hard X-ray emission in the central 10 pc region around Sgr A* consists of the candidate PWN G359.95–0.04 and the CHXE, possibly resulting from an unresolved population of massive CVs with white dwarf masses M{sub WD} ∼ 0.9 M{sub ⊙}. Spectral energy distribution analysis suggests that G359.95–0.04 is likely the hard X-ray counterpart of the ultra-high gamma-ray source HESS J1745–290, strongly favoring a leptonic origin of the GC TeV emission.« less

Development of XAFS Into a Structure Determination Technique

NASA Astrophysics Data System (ADS)

Stern, E. A.

After the detection of diffraction of x-rays by M. Laue in 1912, the technique was soon applied to structure determination by Bragg within a year. On the other hand, although the edge steps in X-Ray absorption were discovered even earlier by Barkla and both the near edge (XANES) and extended X-Ray fine structure (EXAFS) past the edge were detected by 1929, it still took over 40 years to realize the structure information contained in this X-Ray absorption fine structure (XAFS). To understand this delay a brief historical review of the development of the scientific ideas that transformed XAFS into the premiere technique for local structure determination is given. The development includes both advances in theoretical understanding and calculational capabilities, and in experimental facilities, especially synchrotron radiation sources. The present state of the XAFS technique and its capabilities are summarized.

Structural investigation of porcine stomach mucin by X-ray fiber diffraction and homology modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veluraja, K., E-mail: veluraja@msuniv.ac.in; Vennila, K.N.; Umamakeshvari, K.

Research highlights: {yields} Techniques to get oriented mucin fibre. {yields} X-ray fibre diffraction pattern for mucin. {yields} Molecular modeling of mucin based on X-ray fibre diffraction pattern. -- Abstract: The basic understanding of the three dimensional structure of mucin is essential to understand its physiological function. Technology has been developed to achieve orientated porcine stomach mucin molecules. X-ray fiber diffraction of partially orientated porcine stomach mucin molecules show d-spacing signals at 2.99, 4.06, 4.22, 4.7, 5.37 and 6.5 A. The high intense d-spacing signal at 4.22 A is attributed to the antiparallel {beta}-sheet structure identified in the fraction of themore » homology modeled mucin molecule (amino acid residues 800-980) using Nidogen-Laminin complex structure as a template. The X-ray fiber diffraction signal at 6.5 A reveals partial organization of oligosaccharides in porcine stomach mucin. This partial structure of mucin will be helpful in establishing a three dimensional structure for the whole mucin molecule.« less

Fabrication and testing of a newly designed slit system for depth-resolved X-ray diffraction measurements

DOE PAGES

Sinsheimer, John; Bouet, Nathalie; Ghose, Sanjit; ...

2016-10-06

A new system of slits called `spiderweb slits' have been developed for depth-resolved powder or polycrystalline X-ray diffraction measurements. The slits act on diffracted X-rays to select a particular gauge volume of sample, while absorbing diffracted X-rays from outside of this volume. Although the slit geometry is to some extent similar to that of previously developed conical slits or spiral slits, this new design has advantages over the previous ones in use for complex heterogeneous materials and in situ and operando diffraction measurements. For example, the slits can measure a majority of any diffraction cone for any polycrystalline material, overmore » a continuous range of diffraction angles, and work for X-ray energies of tens to hundreds of kiloelectronvolts. In addition, the design is generated and optimized using ray-tracing simulations, and fabricated through laser micromachining. The first prototype was successfully tested at the X17A beamline at the National Synchrotron Light Source, and shows similar performance to simulations, demonstrating gauge volume selection for standard powders, for all diffraction peaks over angles of 2–10°. A similar, but improved, design will be implemented at the X-ray Powder Diffraction beamline at the National Synchrotron Light Source II.« less

Fabrication and testing of a newly designed slit system for depth-resolved X-ray diffraction measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sinsheimer, John; Bouet, Nathalie; Ghose, Sanjit

2016-10-06

A new system of slits called `spiderweb slits' have been developed for depth-resolved powder or polycrystalline X-ray diffraction measurements. The slits act on diffracted X-rays to select a particular gauge volume of sample, while absorbing diffracted X-rays from outside of this volume. Although the slit geometry is to some extent similar to that of previously developed conical slits or spiral slits, this new design has advantages over the previous ones in use for complex heterogeneous materials andin situandoperandodiffraction measurements. For example, the slits can measure a majority of any diffraction cone for any polycrystalline material, over a continuous range ofmore » diffraction angles, and work for X-ray energies of tens to hundreds of kiloelectronvolts. The design is generated and optimized using ray-tracing simulations, and fabricated through laser micromachining. The first prototype was successfully tested at the X17A beamline at the National Synchrotron Light Source, and shows similar performance to simulations, demonstrating gauge volume selection for standard powders, for all diffraction peaks over angles of 2–10°. A similar, but improved, design will be implemented at the X-ray Powder Diffraction beamline at the National Synchrotron Light Source II.« less

28 CFR 541.48 - Search of control unit inmates.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Warden. (b) An inmate in a control unit may request in writing that an X-ray be taken in lieu of the... Director (may not be further delegated) that the amount of X-ray exposure previously received by the inmate, or anticipated to be given the inmate in the immediate future, does not make the proposed X-ray...

28 CFR 541.48 - Search of control unit inmates.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Warden. (b) An inmate in a control unit may request in writing that an X-ray be taken in lieu of the... Director (may not be further delegated) that the amount of X-ray exposure previously received by the inmate, or anticipated to be given the inmate in the immediate future, does not make the proposed X-ray...

The HectoMAP Cluster Survey. II. X-Ray Clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sohn, Jubee; Chon, Gayoung; Bohringer, Hans

Here, we apply a friends-of-friends algorithm to the HectoMAP redshift survey and cross-identify associated X-ray emission in the ROSAT All-Sky Survey data (RASS). The resulting flux-limited catalog of X-ray cluster surveys is complete to a limiting flux of ~3 × 10 –13 erg s –1 cm –2 and includes 15 clusters (7 newly discovered) with redshifts z ≤ 0.4. HectoMAP is a dense survey (~1200 galaxies deg –2) that provides ~50 members (median) in each X-ray cluster. We provide redshifts for the 1036 cluster members. Subaru/Hyper Suprime-Cam imaging covers three of the X-ray systems and confirms that they are impressivemore » clusters. The HectoMAP X-ray clusters have an L X–σ cl scaling relation similar to that of known massive X-ray clusters. The HectoMAP X-ray cluster sample predicts ~12,000 ± 3000 detectable X-ray clusters in RASS to the limiting flux, comparable with previous estimates.« less

The HectoMAP Cluster Survey. II. X-Ray Clusters

DOE PAGES

Sohn, Jubee; Chon, Gayoung; Bohringer, Hans; ...

2018-03-10

Here, we apply a friends-of-friends algorithm to the HectoMAP redshift survey and cross-identify associated X-ray emission in the ROSAT All-Sky Survey data (RASS). The resulting flux-limited catalog of X-ray cluster surveys is complete to a limiting flux of ~3 × 10 –13 erg s –1 cm –2 and includes 15 clusters (7 newly discovered) with redshifts z ≤ 0.4. HectoMAP is a dense survey (~1200 galaxies deg –2) that provides ~50 members (median) in each X-ray cluster. We provide redshifts for the 1036 cluster members. Subaru/Hyper Suprime-Cam imaging covers three of the X-ray systems and confirms that they are impressivemore » clusters. The HectoMAP X-ray clusters have an L X–σ cl scaling relation similar to that of known massive X-ray clusters. The HectoMAP X-ray cluster sample predicts ~12,000 ± 3000 detectable X-ray clusters in RASS to the limiting flux, comparable with previous estimates.« less

An Excel Spreadsheet for a One-Dimensional Fourier Map in X-ray Crystallography

ERIC Educational Resources Information Center

Clegg, William

2004-01-01

The teaching of crystal structure determination with single-crystal X-ray diffraction at undergraduate level faces numerous challenges. Single-crystal X-ray diffraction is used in a vast range of chemical research projects and forms the basis for a high proportion of structural results that are presented to high-school, undergraduate, and graduate…

Structural, spectroscopic, and magnetic properties of Eu3+-doped GdVO4 nanocrystals synthesized by a hydrothermal method.

PubMed

Szczeszak, Agata; Grzyb, Tomasz; Śniadecki, Zbigniew; Andrzejewska, Nina; Lis, Stefan; Matczak, Michał; Nowaczyk, Grzegorz; Jurga, Stefan; Idzikowski, Bogdan

2014-12-01

New interesting aspects of the spectroscopic properties, magnetism, and method of synthesis of gadolinium orthovanadates doped with Eu(3+) ions are discussed. Gd(1-x)Eu(x)VO4 (x = 0, 0.05, 0.2) bifunctional luminescent materials with complex magnetic properties were synthesized by a microwave-assisted hydrothermal method. Products were formed in situ without previous precipitation. The crystal structures and morphologies of the obtained nanomaterials were analyzed by X-ray diffraction and transmission and scanning electron microscopy. Crystallographic data were analyzed using Rietveld refinement. The products obtained were nanocrystalline with average grain sizes of 70-80 nm. The qualitative and quantitative elemental composition as well as mapping of the nanocrystals was proved using energy-dispersive X-ray spectroscopy. The spectroscopic properties of red-emitting nanophosphors were characterized by their excitation and emission spectra and luminescence decays. Magnetic measurements were performed by means of vibrating sample magnetometry. GdVO4 and Gd0.8Eu0.2VO4 exhibited paramagnetic behavior with a weak influence of antiferromagnetic couplings between rare-earth ions. In the substituted sample, an additional magnetic contribution connected with the population of low-lying excited states of europium was observed.

X-ray crystallography

NASA Technical Reports Server (NTRS)

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.

Novel visualization studies of lignocellulosic oxidation chemistry by application of C-near edge X-ray absorption fine structure spectroscopy

Treesearch

Douglas G. Mancosky; Lucian A. Lucia; Hiroki Nanko; Sue Wirick; Alan W. Rudie; Robert Braun

2005-01-01

The research presented herein is the first attempt to probe the chemical nature of lignocellulosic samples by the application of carbon near edge X-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft X-ray technique that principally provides selective interrogation of discrete atomic moieties using photoelectrons of variable energies. The X1A beam...

Revision of the Li13Si4 structure.

PubMed

Zeilinger, Michael; Fässler, Thomas F

2013-11-06

Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li-Si system is the phase Li13Si4 (trideca-lithium tetra-silicide), the structure of which has been determined previously [Frank et al. (1975 ▶). Z. Naturforsch. Teil B, 30, 10-13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i) the introduction of a split position for one Li site [occupancy ratio 0.838 (7):0.162 (7)], (ii) the anisotropic refinement of atomic displacement parameters for all atoms, and (iii) a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si-Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si-Si dumbbells at z = 0.5.

An experimental and theoretical study of the dark current and x-ray sensitivity of amorphous selenium x-ray photoconductors

NASA Astrophysics Data System (ADS)

Frey, Joel Brandon

Recently, the world of diagnostic radiography has seen the integration of digital flat panel x-ray image detectors into x-ray imaging systems, replacing analog film screens. These flat panel x-ray imagers (FPXIs) have been shown to produce high quality x-ray images and provide many advantages that are inherent to a fully digital technology. Direct conversion FPXIs based on a photoconductive layer of stabilized amorphous selenium (a-Se) have been commercialized and have proven particularly effective in the field of mammography. In the operation of these detectors, incident x-ray photons are converted directly to charge carriers in the a-Se layer and drifted to electrodes on either side of the layer by a large applied field (10 V/microm). The applied field causes a dark current to flow which is not due to the incident radiation and this becomes a source of noise which can reduce the dynamic range of the detector. The level of dark current in commercialized detectors has been reduced by the deposition of thin n- and p- type blocking layers between the electrodes and the bulk of the a-Se. Despite recent research into the dark current in metal/a-Se/metal sandwich structures, much is still unknown about the true cause and nature of this phenomenon. The work in this Ph.D. thesis describes an experimental and theoretical study of the dark current in these structures. Experiments have been performed on five separate sets of a-Se samples which approximate the photoconductive layer in an FPXI. The dark current has been measured as a function of time, sample structure, applied field, sample thickness and contact metal used. This work has conclusively shown that the dark current is almost entirely due to the injection of charge carriers from the contacts and the contribution of Poole-Frenkel enhanced bulk thermal generation is negligible. There is also evidence that while the dark current is initially controlled by the injection of holes from the positive contact, several minutes after the application of the bias, the dark current due to hole injection may decay to the point where the electron current becomes significant and even dominant. These conclusions are supported by numerical calculations of the dark current transients which have been calibrated to match experimental results. Work detailed in this Ph.D. thesis also focuses on Monte Carlo modeling of the x-ray sensitivity of a-Se FPXIs. The higher the x-ray sensitivity of a detector, the lower the radiation dose required to acquire an acceptable image. FPXIs can experience a decrease in the x-ray sensitivity of the photoconductive layer with accumulating exposure, leading to a phenomenon known as "ghosting". Modeling this decrease in sensitivity can uncover the reasons behind it. The Monte Carlo model described in this thesis is a continuation of a previous model which now considers the effects of the n- and p-like blocking layers and the flow of dark current between x-ray exposures. The simulation results explain how deep trapping of photogenerated charge carriers, and the resulting effect on the electric field distribution, contribute to sensitivity loss. The model has shown excellent agreement with experimental data and has accurately predicted a sensitivity recovery once exposure has ceased which is due to primarily to the relaxation of metastable x-ray-induced carrier trap states.

Structure of Dimeric and Tetrameric Complexes of the BAR Domain Protein PICK1 Determined by Small-Angle X-Ray Scattering.

PubMed

Karlsen, Morten L; Thorsen, Thor S; Johner, Niklaus; Ammendrup-Johnsen, Ina; Erlendsson, Simon; Tian, Xinsheng; Simonsen, Jens B; Høiberg-Nielsen, Rasmus; Christensen, Nikolaj M; Khelashvili, George; Streicher, Werner; Teilum, Kaare; Vestergaard, Bente; Weinstein, Harel; Gether, Ulrik; Arleth, Lise; Madsen, Kenneth L

2015-07-07

PICK1 is a neuronal scaffolding protein containing a PDZ domain and an auto-inhibited BAR domain. BAR domains are membrane-sculpting protein modules generating membrane curvature and promoting membrane fission. Previous data suggest that BAR domains are organized in lattice-like arrangements when stabilizing membranes but little is known about structural organization of BAR domains in solution. Through a small-angle X-ray scattering (SAXS) analysis, we determine the structure of dimeric and tetrameric complexes of PICK1 in solution. SAXS and biochemical data reveal a strong propensity of PICK1 to form higher-order structures, and SAXS analysis suggests an offset, parallel mode of BAR-BAR oligomerization. Furthermore, unlike accessory domains in other BAR domain proteins, the positioning of the PDZ domains is flexible, enabling PICK1 to perform long-range, dynamic scaffolding of membrane-associated proteins. Together with functional data, these structural findings are compatible with a model in which oligomerization governs auto-inhibition of BAR domain function. Copyright © 2015 Elsevier Ltd. All rights reserved.

Cryo X-ray microscope with flat sample geometry for correlative fluorescence and nanoscale tomographic imaging.

PubMed

Schneider, Gerd; Guttmann, Peter; Rehbein, Stefan; Werner, Stephan; Follath, Rolf

2012-02-01

X-ray imaging offers a new 3-D view into cells. With its ability to penetrate whole hydrated cells it is ideally suited for pairing fluorescence light microscopy and nanoscale X-ray tomography. In this paper, we describe the X-ray optical set-up and the design of the cryo full-field transmission X-ray microscope (TXM) at the electron storage ring BESSY II. Compared to previous TXM set-ups with zone plate condenser monochromator, the new X-ray optical layout employs an undulator source, a spherical grating monochromator and an elliptically shaped glass capillary mirror as condenser. This set-up improves the spectral resolution by an order of magnitude. Furthermore, the partially coherent object illumination improves the contrast transfer of the microscope compared to incoherent conditions. With the new TXM, cells grown on flat support grids can be tilted perpendicular to the optical axis without any geometrical restrictions by the previously required pinhole for the zone plate monochromator close to the sample plane. We also developed an incorporated fluorescence light microscope which permits to record fluorescence, bright field and DIC images of cryogenic cells inside the TXM. For TXM tomography, imaging with multi-keV X-rays is a straightforward approach to increase the depth of focus. Under these conditions phase contrast imaging is necessary. For soft X-rays with shrinking depth of focus towards 10nm spatial resolution, thin optical sections through a thick specimen might be obtained by deconvolution X-ray microscopy. As alternative 3-D X-ray imaging techniques, the confocal cryo-STXM and the dual beam cryo-FIB/STXM with photoelectron detection are proposed. Copyright © 2012 Elsevier Inc. All rights reserved.

Boundary layers in cataclysmic variables - The HEAO 1 X-ray constraints

NASA Technical Reports Server (NTRS)

Jensen, K. A.

1984-01-01

The predictions of the boundary layer model for the X-ray emission from novae are summarized. A discrepancy between observations and theory in the X-ray observations is found. Constraints on the nature of the boundary layers in novae, based on the lack of detections of novae in the HEAO-1 soft X-ray survey are provided. Temperature and column densities for optically thick boundary layers in novae are estimated. Previously announced in STAR as N84-13046

Spectral state transitions of the Ultraluminous X-ray Source IC 342 X-1

NASA Astrophysics Data System (ADS)

Marlowe, H.; Kaaret, P.; Lang, C.; Feng, H.; Grisé, F.; Miller, N.; Cseh, D.; Corbel, S.; Mushotzky, R. F.

2014-10-01

We observed the Ultraluminous X-ray Source (ULX) IC 342 X-1 simultaneously in X-ray and radio with Chandra and the JVLA to investigate previously reported unresolved radio emission coincident with the ULX. The Chandra data reveal a spectrum that is much softer than observed previously and is well modelled by a thermal accretion disc spectrum. No significant radio emission above the rms noise level was observed within the region of the ULX, consistent with the interpretation as a thermal state though other states cannot be entirely ruled out with the current data. We estimate the mass of the black hole using the modelled inner disc temperature to be 30 M_{⊙} ≲ M√{cosi}≲ 200 M_{⊙} based on a Shakura-Sunyaev disc model. Through a study of the hardness and high-energy curvature of available X-ray observations, we find that the accretion state of X-1 is not determined by luminosity alone.

X-ray (image)

MedlinePlus

X-rays are a form of electromagnetic radiation, just like visible light. Structures that are dense (such as bone) will block most of the x-ray particles, and will appear white. Metal and contrast media ( ...

Crystal structure of new AsS{sub 2} compound

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolotina, N. B., E-mail: bolotina@ns.crys.ras.ru; Brazhkin, V. V.; Dyuzheva, T. I.

2013-01-15

AsS{sub 2} single crystals have been obtained for the first time from an As{sub 2}S{sub 3} melt at pressures above 6 GPa and temperatures above 800 K in the As{sub 2}S{sub 3} {yields} AsS + AsS{sub 2} reaction. The monoclinic structure of the new high-pressure phase is solved by X-ray diffraction analysis and compared to the structure of high-pressure AsS phase, which was studied previously.

Geometric structure of anatase Ti O2(101 )

NASA Astrophysics Data System (ADS)

Treacy, Jon P. W.; Hussain, Hadeel; Torrelles, Xavier; Grinter, David C.; Cabailh, Gregory; Bikondoa, Oier; Nicklin, Christopher; Selcuk, Sencer; Selloni, Annabella; Lindsay, Robert; Thornton, Geoff

2017-02-01

Surface x-ray diffraction has been used to determine the quantitative structure of the (101) termination of anatase Ti O2 . The atomic displacements from the bulk-terminated structure are significantly different from those previously calculated with density functional theory (DFT) methods with discrepancies for the Ti displacements in the [10 1 ¯] direction of up to 0.3 Å . DFT calculations carried out as part of the current paper provide a much better agreement through improved accuracy and thicker slab models.

Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses

DOE PAGES

Kurta, Ruslan P.; Donatelli, Jeffrey J.; Yoon, Chun Hong; ...

2017-10-12

We use extremely bright and ultrashort pulses from an x-ray free-electron laser (XFEL) to measure correlations in x rays scattered from individual bioparticles. This allows us to go beyond the traditional crystallography and single-particle imaging approaches for structure investigations. We employ angular correlations to recover the three-dimensional (3D) structure of nanoscale viruses from x-ray diffraction data measured at the Linac Coherent Light Source. Correlations provide us with a comprehensive structural fingerprint of a 3D virus, which we use both for model-based and ab initio structure recovery. The analyses reveal a clear indication that the structure of the viruses deviates frommore » the expected perfect icosahedral symmetry. Lastly, our results anticipate exciting opportunities for XFEL studies of the structure and dynamics of nanoscale objects by means of angular correlations.« less

The cyclical variation of energy flux and photospheric magnetic field strength from coronal holes

NASA Technical Reports Server (NTRS)

Webb, D. F.; Davis, J. M.

1985-01-01

The average soft X-ray emission from coronal holes observed on images obtained during rocket flights from 1974 to 1981 is measured. The variation of this emission over the solar cycle was then compared with photospheric magnetic flux measurements within coronal holes over the same period. It was found that coronal hole soft X-ray emission could be detected and that this emission appeared to increase with the rise of the sunspot cycle from activity minimum to maximum. These quantitative results confirmed previous suggestions that the coronal brightness contrast between holes and large-scale structure decreased during this period of the cycle. Gas pressures at the hole base were estimated for assumed temperatures and found to vary from about 0.03 dyne/sq cm in 1974 to 0.35 dyne/sq cm in 1981. The increase in coronal hole X-ray emission was accompanied by a similar trend in the surface magnetic flux of near-equatorial holes between 1975 and 1980 (Harvey et al., 1982).

KSC-99pc0188

NASA Image and Video Library

1999-02-09

In the Solid Motor Assembly Building, Cape Canaveral Air Station, STS-93 Mission Specialist Catherine G. Coleman (left) lifts the protective covering to look at the avionics box on the Inertial Upper Stage booster. Next to her are Eric Herrburger (center), with Boeing, and crew member Mission Specialist Michel Tognini (right) of France, who represents the Centre National d'Etudes Spatiales (CNES). STS-93 is scheduled to launch July 9 aboard Space Shuttle Columbia and has the primary mission of the deployment of the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Other STS-93 crew members are Commander Eileen M. Collins, Pilot Jeffrey S. Ashby and Mission Specialist Steven A. Hawley

KSC-99pc0182

NASA Image and Video Library

1999-02-09

In the Vertical Processing Facility (VPF), the STS-93 crew stands in front of the VPF Aft Flight Deck simulator, which is part of KSC's Cargo Integration Test Equipment. From left, they are Mission Specialist Michel Tognini of France, Commander Eileen M. Collins, Mission Specialist Steven A. Hawley, Pilot Jeffrey S. Ashby and Mission Specialist Catherine G. Coleman. Tognini represents France's space agency, the Centre National d'Etudes Spatiales (CNES). STS-93, scheduled to launch July 9 aboard Space Shuttle Columbia, has the primary mission of the deployment of the Chandra X-ray Observatory, which is undergoing testing in the VPF. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0177

NASA Image and Video Library

1999-02-09

Members of the STS-93 crew look over the Space Shuttle Columbia's main engine in the Space Shuttle Main Engine Facility as they listen to Al Strainer, with United Space Alliance. From left, the crew members are Mission Specialist Michel Tognini of France, who represents the Centre National d'Etudes Spatiales (CNES), Pilot Jeffrey S. Ashby, Mission Specialist Steven A. Hawley, and Commander Eileen Collins. At the far right is Matt Gaetjens, with the Vehicle Integration Test Team. The fifth crew member (not shown) is Mission Specialist Catherine G. Coleman. STS-93, scheduled to launch July 9, has the primary mission of the deployment of the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe

KSC-99pc0189

NASA Image and Video Library

1999-02-09

Inside the Vehicle Assembly Building, two STS-93 crew members, (center) Mission Specialist Michel Tognini of France and Pilot Jeffrey S. Ashby, get a close look at something seldom seen, the tip of an external tank. With them are Roland Nedelkovich (far left), with the Vertical Integration Test Team, and John Hlavacka (far right). STS-93 is scheduled to launch July 9 aboard Space Shuttle Columbia and has the primary mission of the deployment of the Chandra X-ray Observatory. Formerly called the Advanced X-ray Astrophysics Facility, Chandra comprises three major elements: the spacecraft, the science instrument module (SIM), and the world's most powerful X-ray telescope. Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Other STS-93 crew members are Commander Eileen M. Collins and Mission Specialists Catherine G. Coleman and Steven A. Hawley

Glancing-incidence X-ray diffraction of Ag nanoparticles in gold lustre decoration of Italian Renaissance pottery

NASA Astrophysics Data System (ADS)

Bontempi, E.; Colombi, P.; Depero, L. E.; Cartechini, L.; Presciutti, F.; Brunetti, B. G.; Sgamellotti, A.

2006-06-01

Lustre is known as one of the most significant decorative techniques of Medieval and Renaissance pottery in the Mediterranean basin, characterized by brilliant gold and red metallic reflections and iridescence effects. Previous studies by various techniques (SEM-EDS and TEM, UV-VIS, XRF, RBS and EXAFS) demonstrated that lustre consists of a heterogeneous metal-glass composite film, formed by Cu and Ag nanoparticles dispersed within the outer layer of a tin-opacified lead glaze. In the present work the investigation of an original gold lustre sample from Deruta has been carried out by means of glancing-incidence X-ray diffraction techniques (GIXRD). The study was aimed at providing information on structure and depth distribution of Ag nanoparticles. Exploiting the capability of controlling X-ray penetration in the glaze by changing the incidence angle, we used GIXRD measurements to estimate non-destructively thickness and depth of silver particles present in the first layers of the glaze.

X-Ray-induced Deuterium Enrichment of N-rich Organics in Protoplanetary Disks: An Experimental Investigation Using Synchrotron Light

NASA Astrophysics Data System (ADS)

Gavilan, Lisseth; Remusat, Laurent; Roskosz, Mathieu; Popescu, Horia; Jaouen, Nicolas; Sandt, Christophe; Jäger, Cornelia; Henning, Thomas; Simionovici, Alexandre; Lemaire, Jean Louis; Mangin, Denis; Carrasco, Nathalie

2017-05-01

The deuterium enrichment of organics in the interstellar medium, protoplanetary disks, and meteorites has been proposed to be the result of ionizing radiation. The goal of this study is to simulate and quantify the effects of soft X-rays (0.1-2 keV), an important component of stellar radiation fields illuminating protoplanetary disks, on the refractory organics present in the disks. We prepared tholins, nitrogen-rich organic analogs to solids found in several astrophysical environments, e.g., Titan’s atmosphere, cometary surfaces, and protoplanetary disks, via plasma deposition. Controlled irradiation experiments with soft X-rays at 0.5 and 1.3 keV were performed at the SEXTANTS beamline of the SOLEIL synchrotron, and were immediately followed by ex-situ infrared, Raman, and isotopic diagnostics. Infrared spectroscopy revealed the preferential loss of singly bonded groups (N-H, C-H, and R-N≡C) and the formation of sp3 carbon defects with signatures at ˜1250-1300 cm-1. Raman analysis revealed that, while the length of polyaromatic units is only slightly modified, the introduction of defects leads to structural amorphization. Finally, tholins were measured via secondary ion mass spectrometry to quantify the D, H, and C elemental abundances in the irradiated versus non-irradiated areas. Isotopic analysis revealed that significant D-enrichment is induced by X-ray irradiation. Our results are compared to previous experimental studies involving the thermal degradation and electron irradiation of organics. The penetration depth of soft X-rays in μm-sized tholins leads to volume rather than surface modifications: lower-energy X-rays (0.5 keV) induce a larger D-enrichment than 1.3 keV X-rays, reaching a plateau for doses larger than 5 × 1027 eV cm-3. Synchrotron fluences fall within the expected soft X-ray fluences in protoplanetary disks, and thus provide evidence of a new non-thermal pathway to deuterium fractionation of organic matter.

The Nuclear Spectroscopic Telescope Array (NuSTAR) High-Energy X-ray Mission

NASA Technical Reports Server (NTRS)

Harrison, Fiona A.; Craig, Willliam W.; Christensen, Finn E.; Hailey, Charles J.; Zhang, William W.; Boggs, Steven E.; Stern, Daniel; Cook, W. Rick; Forster, Karl; Giommi, Paolo;

High resolution x-ray microtomography of biological samples: Requirements and strategies for satisfying them

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loo, B.W. Jr.

High resolution x-ray microscopy has been made possible in recent years primarily by two new technologies: microfabricated diffractive lenses for soft x-rays with about 30-50 nm resolution, and high brightness synchrotron x-ray sources. X-ray microscopy occupies a special niche in the array of biological microscopic imaging methods. It extends the capabilities of existing techniques mainly in two areas: a previously unachievable combination of sub-visible resolution and multi-micrometer sample size, and new contrast mechanisms. Because of the soft x-ray wavelengths used in biological imaging (about 1-4 nm), XM is intermediate in resolution between visible light and electron microscopies. Similarly, the penetrationmore » depth of soft x-rays in biological materials is such that the ideal sample thickness for XM falls in the range of 0.25 - 10 {mu}m, between that of VLM and EM. XM is therefore valuable for imaging of intermediate level ultrastructure, requiring sub-visible resolutions, in intact cells and subcellular organelles, without artifacts produced by thin sectioning. Many of the contrast producing and sample preparation techniques developed for VLM and EM also work well with XM. These include, for example, molecule specific staining by antibodies with heavy metal or fluorescent labels attached, and sectioning of both frozen and plastic embedded tissue. However, there is also a contrast mechanism unique to XM that exists naturally because a number of elemental absorption edges lie in the wavelength range used. In particular, between the oxygen and carbon absorption edges (2.3 and 4.4 nm wavelength), organic molecules absorb photons much more strongly than does water, permitting element-specific imaging of cellular structure in aqueous media, with no artifically introduced contrast agents. For three-dimensional imaging applications requiring the capabilities of XM, an obvious extension of the technique would therefore be computerized x-ray microtomography (XMT).« less

The XMM-SERVS survey: new XMM-Newton point-source catalog for the XMM-LSS field

NASA Astrophysics Data System (ADS)

Chen, C.-T. J.; Brandt, W. N.; Luo, B.; Ranalli, P.; Yang, G.; Alexander, D. M.; Bauer, F. E.; Kelson, D. D.; Lacy, M.; Nyland, K.; Tozzi, P.; Vito, F.; Cirasuolo, M.; Gilli, R.; Jarvis, M. J.; Lehmer, B. D.; Paolillo, M.; Schneider, D. P.; Shemmer, O.; Smail, I.; Sun, M.; Tanaka, M.; Vaccari, M.; Vignali, C.; Xue, Y. Q.; Banerji, M.; Chow, K. E.; Häußler, B.; Norris, R. P.; Silverman, J. D.; Trump, J. R.

2018-04-01

We present an X-ray point-source catalog from the XMM-Large Scale Structure survey region (XMM-LSS), one of the XMM-Spitzer Extragalactic Representative Volume Survey (XMM-SERVS) fields. We target the XMM-LSS region with 1.3 Ms of new XMM-Newton AO-15 observations, transforming the archival X-ray coverage in this region into a 5.3 deg2 contiguous field with uniform X-ray coverage totaling 2.7 Ms of flare-filtered exposure, with a 46 ks median PN exposure time. We provide an X-ray catalog of 5242 sources detected in the soft (0.5-2 keV), hard (2-10 keV), and/or full (0.5-10 keV) bands with a 1% expected spurious fraction determined from simulations. A total of 2381 new X-ray sources are detected compared to previous source catalogs in the same area. Our survey has flux limits of 1.7 × 10-15, 1.3 × 10-14, and 6.5 × 10-15 erg cm-2 s-1 over 90% of its area in the soft, hard, and full bands, respectively, which is comparable to those of the XMM-COSMOS survey. We identify multiwavelength counterpart candidates for 99.9% of the X-ray sources, of which 93% are considered as reliable based on their matching likelihood ratios. The reliabilities of these high-likelihood-ratio counterparts are further confirmed to be ≈97% reliable based on deep Chandra coverage over ≈5% of the XMM-LSS region. Results of multiwavelength identifications are also included in the source catalog, along with basic optical-to-infrared photometry and spectroscopic redshifts from publicly available surveys. We compute photometric redshifts for X-ray sources in 4.5 deg2 of our field where forced-aperture multi-band photometry is available; >70% of the X-ray sources in this subfield have either spectroscopic or high-quality photometric redshifts.

XMM-Newton observations of the Galactic Centre Region - II. The soft-thermal emission

NASA Astrophysics Data System (ADS)

Heard, V.; Warwick, R. S.

2013-09-01

We have extended our earlier study of the X-ray emission emanating from the central 100 pc × 100 pc region of our Galaxy to an investigation of several features prominent in the soft X-ray (2-4.5 keV) band. We focus on three specific structures: a putative bipolar outflow from the vicinity of Sgr A*; a high surface brightness region located roughly 12 arcmin (25 pc) to the north-east of Sgr A* and a lower surface brightness extended loop feature seen to the south of Sgr A*. We show, unequivocally, that all three structures are thermal in nature and have similar temperatures (kT ≈ 1 keV). The inferred X-ray luminosities lie in the range (2-10) × 1034 erg s-1. In the case of the bipolar feature we suggest that the hot plasma is produced by the shock heating of the winds from massive stars within the Central Cluster, possibly collimated by the Circumnuclear Disc. Alternatively the outflow may be driven by outbursts on Sgr A*, which follow tidal disruption events occurring at a rate of roughly one every 4000 yr. The north-east enhancement is centred on a candidate pulsar wind nebula which has a relatively hard non-thermal X-ray spectrum. We suggest that the coincident soft-thermal emission traces the core of a new thermal-composite supernova remnant, designated as SNR G0.13-0.12. There is no clear evidence for an associated radio shell but such a feature may be masked by the bright emission of the nearby Radio Arc and other filamentary structures. SNR G0.13-0.12 is very likely interacting with the nearby molecular cloud, G0.11-0.11, and linked to the Fermi source, 2FGL J1746.4-2851c. Finally we explore a previous suggestion that the elliptically shaped X-ray loop to the south of Sgr A*, of maximum extent ˜45 pc, represents the shell of a superbubble located in the GC region. Although plausible, the interpretation of this feature in terms a coherent physical structure awaits confirmation.

EVIDENCE FOR PARTICLE ACCELERATION TO THE KNEE OF THE COSMIC RAY SPECTRUM IN TYCHO'S SUPERNOVA REMNANT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eriksen, Kristoffer A.; Hughes, John P.; Badenes, Carles

2011-02-20

Supernova remnants (SNRs) have long been assumed to be the source of cosmic rays (CRs) up to the 'knee' of the CR spectrum at 10{sup 15} eV, accelerating particles to relativistic energies in their blast waves by the process of diffusive shock acceleration (DSA). Since CR nuclei do not radiate efficiently, their presence must be inferred indirectly. Previous theoretical calculations and X-ray observations show that CR acceleration significantly modifies the structure of the SNR and greatly amplifies the interstellar magnetic field. We present new, deep X-ray observations of the remnant of Tycho's supernova (SN 1572, henceforth Tycho), which reveal amore » previously unknown, strikingly ordered pattern of non-thermal high-emissivity stripes in the projected interior of the remnant, with spacing that corresponds to the gyroradii of 10{sup 14}-10{sup 15} eV protons. Spectroscopy of the stripes shows the plasma to be highly turbulent on the (smaller) scale of the Larmor radii of TeV energy electrons. Models of the shock amplification of magnetic fields produce structure on the scale of the gyroradius of the highest energy CRs present, but they do not predict the highly ordered pattern we observe. We interpret the stripes as evidence for acceleration of particles to near the knee of the CR spectrum in regions of enhanced magnetic turbulence, while the observed highly ordered pattern of these features provides a new challenge to models of DSA.« less

Cooling flows and X-ray emission in early-type galaxies

NASA Technical Reports Server (NTRS)

Sarazin, Craig L.

1990-01-01

The X-ray properties of normal early-type galaxies and the limited theoretical understanding of the physics of the hot interstellar medium in these galaxies are reviewed. A number of simple arguments about the physical state of the gas are given. Steady-state cooling flow models for these galaxies are presented, and their time-dependent evolution is discussed. The X-ray emission found in early-type galaxies indicates that they contain significant amounts of hot interstellar gas, and that they are not the gas-poor systems they were previously thought to be. In the brighter X-ray galaxies, the amounts of hot gas observed are consistent with those expected given the present rates of stellar mass loss. The required rates of heating of the gas are consistent with those expected from the motions of gas-losing stars and supernovae. The X-ray observations are generally more consistent with a lower rate of Type I supernovae than was previously thought.

Structural and electronic snapshots during the transition from a Cu(II) to Cu(I) metal center of a lytic polysaccharide monooxygenase by X-ray photoreduction.

PubMed

Gudmundsson, Mikael; Kim, Seonah; Wu, Miao; Ishida, Takuya; Momeni, Majid Hadadd; Vaaje-Kolstad, Gustav; Lundberg, Daniel; Royant, Antoine; Ståhlberg, Jerry; Eijsink, Vincent G H; Beckham, Gregg T; Sandgren, Mats

2014-07-04

Lytic polysaccharide monooxygenases (LPMOs) are a recently discovered class of enzymes that employ a copper-mediated, oxidative mechanism to cleave glycosidic bonds. The LPMO catalytic mechanism likely requires that molecular oxygen first binds to Cu(I), but the oxidation state in many reported LPMO structures is ambiguous, and the changes in the LPMO active site required to accommodate both oxidation states of copper have not been fully elucidated. Here, a diffraction data collection strategy minimizing the deposited x-ray dose was used to solve the crystal structure of a chitin-specific LPMO from Enterococcus faecalis (EfaCBM33A) in the Cu(II)-bound form. Subsequently, the crystalline protein was photoreduced in the x-ray beam, which revealed structural changes associated with the conversion from the initial Cu(II)-oxidized form with two coordinated water molecules, which adopts a trigonal bipyramidal geometry, to a reduced Cu(I) form in a T-shaped geometry with no coordinated water molecules. A comprehensive survey of Cu(II) and Cu(I) structures in the Cambridge Structural Database unambiguously shows that the geometries observed in the least and most reduced structures reflect binding of Cu(II) and Cu(I), respectively. Quantum mechanical calculations of the oxidized and reduced active sites reveal little change in the electronic structure of the active site measured by the active site partial charges. Together with a previous theoretical investigation of a fungal LPMO, this suggests significant functional plasticity in LPMO active sites. Overall, this study provides molecular snapshots along the reduction process to activate the LPMO catalytic machinery and provides a general method for solving LPMO structures in both copper oxidation states. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

Extended hard-X-ray emission in the inner few parsecs of the Galaxy.

PubMed

Perez, Kerstin; Hailey, Charles J; Bauer, Franz E; Krivonos, Roman A; Mori, Kaya; Baganoff, Frederick K; Barrière, Nicolas M; Boggs, Steven E; Christensen, Finn E; Craig, William W; Grefenstette, Brian W; Grindlay, Jonathan E; Harrison, Fiona A; Hong, Jaesub; Madsen, Kristin K; Nynka, Melania; Stern, Daniel; Tomsick, John A; Wik, Daniel R; Zhang, Shuo; Zhang, William W; Zoglauer, Andreas

2015-04-30

The Galactic Centre hosts a puzzling stellar population in its inner few parsecs, with a high abundance of surprisingly young, relatively massive stars bound within the deep potential well of the central supermassive black hole, Sagittarius A* (ref. 1). Previous studies suggest that the population of objects emitting soft X-rays (less than 10 kiloelectronvolts) within the surrounding hundreds of parsecs, as well as the population responsible for unresolved X-ray emission extending along the Galactic plane, is dominated by accreting white dwarf systems. Observations of diffuse hard-X-ray (more than 10 kiloelectronvolts) emission in the inner 10 parsecs, however, have been hampered by the limited spatial resolution of previous instruments. Here we report the presence of a distinct hard-X-ray component within the central 4 × 8 parsecs, as revealed by subarcminute-resolution images in the 20-40 kiloelectronvolt range. This emission is more sharply peaked towards the Galactic Centre than is the surface brightness of the soft-X-ray population. This could indicate a significantly more massive population of accreting white dwarfs, large populations of low-mass X-ray binaries or millisecond pulsars, or particle outflows interacting with the surrounding radiation field, dense molecular material or magnetic fields. However, all these interpretations pose significant challenges to our understanding of stellar evolution, binary formation, and cosmic-ray production in the Galactic Centre.

X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Serrano, V.S.; Davis, M.F.; Gaff, J.F.

X-ray crystal structures of the metcyano form of dehaloperoxidase-hemoglobin (DHP A) from Amphitrite ornata (DHPCN) and the C73S mutant of DHP A (C73SCN) were determined using synchrotron radiation in order to further investigate the geometry of diatomic ligands coordinated to the heme iron. The DHPCN structure was also determined using a rotating-anode source. The structures show evidence of photoreduction of the iron accompanied by dissociation of bound cyanide ion (CN{sup -}) that depend on the intensity of the X-ray radiation and the exposure time. The electron density is consistent with diatomic molecules located in two sites in the distal pocketmore » of DHPCN. However, the identities of the diatomic ligands at these two sites are not uniquely determined by the electron-density map. Consequently, density functional theory calculations were conducted in order to determine whether the bond lengths, angles and dissociation energies are consistent with bound CN{sup -} or O{sub 2} in the iron-bound site. In addition, molecular-dynamics simulations were carried out in order to determine whether the dynamics are consistent with trapped CN{sup -} or O{sub 2} in the second site of the distal pocket. Based on these calculations and comparison with a previously determined X-ray crystal structure of the C73S-O{sub 2} form of DHP [de Serrano et al. (2007), Acta Cryst. D63, 1094-1101], it is concluded that CN{sup -} is gradually replaced by O{sub 2} as crystalline DHP is photoreduced at 100 K. The ease of photoreduction of DHP A is consistent with the reduction potential, but suggests an alternative activation mechanism for DHP A compared with other peroxidases, which typically have reduction potentials that are 0.5 V more negative. The lability of CN{sup -} at 100 K suggests that the distal pocket of DHP A has greater flexibility than most other hemoglobins.« less

Energetics and timing of the hard and soft X-ray emissions in white light flares

NASA Technical Reports Server (NTRS)

Neidig, Donald F.; Kane, Sharad R.

1993-01-01

By comparing the light curves in optical, hard X-ray, and soft X-ray wavelengths for eight well-observed flares, we confirm previous results indicating that the white light flare (WLF) is associated with the flare impulsive phase. The WLF emission peaks within seconds after the associated hard X-ray peak, and nearly two minutes before the 1-8 A soft X-ray peak. It is further shown that the peak power in nonthermal electrons above 50 keV is typically an order of magnitude larger, and the power in 1-8 A soft X-rays radiated over 2pi sr, at the time of the WLF peak, is an order of magnitude smaller than the peak WLF power.

A comparison of coronal X-ray structures of active regions with magnetic fields computed from photospheric observations

NASA Technical Reports Server (NTRS)

Poletto, G.; Vaiana, G. S.; Zombeck, M. V.; Krieger, A. S.; Timothy, A. F.

1975-01-01

The appearances of several X-ray active regions observed on March 7, 1970 and June 15, 1973 are compared with the corresponding coronal magnetic-field topology. Coronal fields have been computed from measurements of the longitudinal component of the underlying magnetic fields, based on the current-free hypothesis. An overall correspondence between X-ray structures and calculated field lines is established, and the magnetic counterparts of different X-ray features are also examined. A correspondence between enhanced X-ray emission and the location of compact closed field lines is suggested. Representative magnetic-field values calculated under the assumption of current-free fields are given for heights up to 200 sec.

Beyond crystallography: Diffractive imaging using coherent x-ray light sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miao, J.; Ishikawa, T.; Robinson, I. K.

X-ray crystallography has been central to the development of many fields of science over the past century. It has now matured to a point that as long as good-quality crystals are available, their atomic structure can be routinely determined in three dimensions. However, many samples in physics, chemistry, materials science, nanoscience, geology, and biology are noncrystalline, and thus their three-dimensional structures are not accessible by traditional x-ray crystallography. Overcoming this hurdle has required the development of new coherent imaging methods to harness new coherent x-ray light sources. Here we review the revolutionary advances that are transforming x-ray sources and imagingmore » in the 21st century.« less

X-ray Radiative Transfer in Protoplanetary Disks with ProDiMo

NASA Astrophysics Data System (ADS)

Rab, Christian; Woitke, Peter; Güdel, Manuel; Min, Michiel; Diana Team

2013-07-01

X-ray emission is a common property of YSOs. T Tauri stars show X-ray luminosities up to 10^32 erg/s but also Herbig Ae/Be stars can have moderate X-ray emission in the range of 10^28 to 10^31 erg/s. We want to investigate the impact of X-ray radiation on the thermal and chemical structure of protoplanetary discs around these YSOs. Therefore we have added a new X-ray Radiative Transfer module to the radiation thermo-chemical code ProDiMo (Protoplanetary Disc Modeling) extending the existing implementation of X-ray chemistry implemented by Aresu et al. This new module considers gas and dust opacities (including scattering) and a possible X-ray background field. Further we added a new set of FUV - photoreactions to the X-ray chemistry module of ProDiMo as fast electrons created in X-ray ionisation can produce a significant secondary FUV radiation field by exciting atomic or molecular hydrogen. We discuss the importance of these processes on the thermal and chemical structure of the protoplanetary disc, and present them on the basis of a typical T Tauri disc model. This work is performed in the context of the EU FP7-project DIANA (www.diana-project.com).

Surface Evaluation by X-Ray Photoelectron Spectroscopy of High Performance Polyimide Foams After Exposure to Oxygen Plasma

NASA Technical Reports Server (NTRS)

Melendez, Orlando; Hampton, Michael D.; Williams, Martha K.; Brown, Sylvia F.; Nelson, Gordon L.; Weiser, Erik S.

2002-01-01

Aromatic polyimides have been attractive in the aerospace and electronics industries for applications such as cryogenic insulation, flame retardant panels and structural subcomponents. Newer to the arena of polyimides is the synthesis of polyimide foams and their applications. In the present work, three different, closely related, polyimide foams developed by NASA Langley Research Center (LaRC) are studied by X-ray Photoelectron Spectroscopy (XPS) after exposure to radio frequency generated Oxygen Plasma. Although polyimide films exposure to atomic oxygen and plasma have been studied previously and reported, the data relate to films and not foams. Foams have much more surface area and thus present new information to be explored. Understanding degradation mechanisms and properties versus structure, foam versus solid is of interest and fundamental to the application and protection of foams exposed to atomic oxygen in Low Earth Orbit (LEO).

A putative siderophore-interacting protein from the marine bacterium Shewanella frigidimarina NCIMB 400: cloning, expression, purification, crystallization and X-ray diffraction analysis

PubMed Central

Trindade, Inês B.; Fonseca, Bruno M.; Matias, Pedro M.; Louro, Ricardo O.; Moe, Elin

2016-01-01

Siderophore-binding proteins (SIPs) perform a key role in iron acquisition in multiple organisms. In the genome of the marine bacterium Shewanella frigidimarina NCIMB 400, the gene tagged as SFRI_RS12295 encodes a protein from this family. Here, the cloning, expression, purification and crystallization of this protein are reported, together with its preliminary X-ray crystallographic analysis to 1.35 Å resolution. The SIP crystals belonged to the monoclinic space group P21, with unit-cell parameters a = 48.04, b = 78.31, c = 67.71 Å, α = 90, β = 99.94, γ = 90°, and are predicted to contain two molecules per asymmetric unit. Structure determination by molecular replacement and the use of previously determined ∼2 Å resolution SIP structures with ∼30% sequence identity as templates are ongoing. PMID:27599855

KSC-99pp0766

NASA Image and Video Library

1999-06-24

KENNEDY SPACE CENTER, FLA. -- At Launch Pad 39B, the payload canister carrying the Chandra X-ray Observatory nears the end of its ascent up the Rotating Service Structure (RSS) to the Payload Changeout Room. Umbilical hoses, which maintain a controlled environment for the observatory, are still attached to the payload canister transporter below that transferred the payload from the Vertical Processing Facility. The observatory will be moved into the payload bay of the Space Shuttle Columbia, seen in the background, after the RSS rotates to a position behind Columbia. The world's most powerful X-ray telescope, Chandra will allow scientists from around the world to see previously invisible black holes and high-temperature gas clouds, giving the observatory the potential to rewrite the books on the structure and evolution of our universe. Chandra is scheduled for launch no earlier than July 20 aboard Space Shuttle Columbia, on mission STS-93

Conducting linear chains of sulphur inside carbon nanotubes

PubMed Central

Fujimori, Toshihiko; Morelos-Gómez, Aarón; Zhu, Zhen; Muramatsu, Hiroyuki; Futamura, Ryusuke; Urita, Koki; Terrones, Mauricio; Hayashi, Takuya; Endo, Morinobu; Young Hong, Sang; Chul Choi, Young; Tománek, David; Kaneko, Katsumi

2013-01-01

Despite extensive research for more than 200 years, the experimental isolation of monatomic sulphur chains, which are believed to exhibit a conducting character, has eluded scientists. Here we report the synthesis of a previously unobserved composite material of elemental sulphur, consisting of monatomic chains stabilized in the constraining volume of a carbon nanotube. This one-dimensional phase is confirmed by high-resolution transmission electron microscopy and synchrotron X-ray diffraction. Interestingly, these one-dimensional sulphur chains exhibit long domain sizes of up to 160 nm and high thermal stability (~800 K). Synchrotron X-ray diffraction shows a sharp structural transition of the one-dimensional sulphur occurring at ~450–650 K. Our observations, and corresponding electronic structure and quantum transport calculations, indicate the conducting character of the one-dimensional sulphur chains under ambient pressure. This is in stark contrast to bulk sulphur that needs ultrahigh pressures exceeding ~90 GPa to become metallic. PMID:23851903

Reduced-temperature crystallization of thin amorphous Fe80B20 films studied via empirical modeling of extended x-ray absorption fine structure

NASA Astrophysics Data System (ADS)

Harris, V. G.; Oliver, S. A.; Ayers, J. D.; Das, B. N.; Koon, N. C.

1996-04-01

The evolution of the local atomic environment around Fe atoms in very thin (15 nm), amorphous, partially crystallized and fully crystallized films of Fe80B20 was studied using extended x-ray absorption fine structure (EXAFS) measurements. The relative atomic fraction of each crystalline phase present in the annealed samples was extracted from the Fe EXAFS data by a least-squares fitting procedure, using data collected from t-Fe3B, t-Fe2B, and α-Fe standards. The type and relative fraction of the crystallization products follows the trends previously measured in Fe80B20 melt-spun ribbons, except for the fact that crystallization temperatures are ≊200 K lower than those measured in bulk equivalents. This greatly reduced crystallization temperature may arise from the dominant role of surface nucleation sites in the crystallization of very thin amorphous films.

Thermonuclear 46Cr(p ,γ )47Mn rate in type-I x-ray bursts

NASA Astrophysics Data System (ADS)

He, J. J.; Parikh, A.; Xu, Y.; Zhang, Y. H.; Zhou, X. H.; Xu, H. S.

2017-10-01

The thermonuclear rate of the 46Cr(p ,γ )47Mn reaction has been determined using a newly evaluated proton separation energy of Sp(47Mn) =380 ±30 keV and nuclear structure information from the mirror nucleus 47Ti. The astrophysical impact of this new rate and previously available rates has been investigated through one-zone postprocessing type-I x-ray burst calculations. The present 46Cr(p ,γ )47Mn rate leads to a mass fraction at A =46 that is 60 times larger than that obtained using a statistical model rate. The new results constrain the calculated maximum and minimum mass fractions at A =46 and A =48 to be within factors of 12 and 4, respectively. Experimental studies of the level structure of 47Mn near the proton threshold are required to improve these model predictions.

Improving material identification by combining x-ray and neutron tomography

NASA Astrophysics Data System (ADS)

LaManna, Jacob M.; Hussey, Daniel S.; Baltic, Eli; Jacobson, David L.

2017-09-01

X-rays and neutrons provide complementary non-destructive probes for the analysis of structure and chemical composition of materials. Contrast differences between the modes arise due to the differences in interaction with matter. Due to the high sensitivity to hydrogen, neutrons excel at separating liquid water or hydrogenous phases from the underlying structure while X-rays resolve the solid structure. Many samples of interest, such as fluid flow in porous materials or curing concrete, are stochastic or slowly changing with time which makes analysis of sequential imaging with X-rays and neutrons difficult as the sample may change between scans. To alleviate this issue, NIST has developed a system for simultaneous X-ray and neutron tomography by orienting a 90 keVpeak micro-focus X-ray tube orthogonally to a thermal neutron beam. This system allows for non-destructive, multimodal tomography of dynamic or stochastic samples while penetrating through sample environment equipment such as pressure and flow vessels. Current efforts are underway to develop methods for 2D histogram based segmentation of reconstructed volumes. By leveraging the contrast differences between X-rays and neutrons, greater histogram peak separation can occur in 2D vs 1D enabling improved material identification.

Probing the Hot and Energetic Universe: X-rays and Astrophysics

NASA Astrophysics Data System (ADS)

Bautz, Marshall; Kraft, Ralph

2016-03-01

X-ray observations are a cornerstone of our understanding of the formation and evolution of structure in the Universe, from solar-system-sized supermassive black holes (SMBH) to the largest galaxy clusters. At the most basic level, a significant fraction of the energy output in the Universe is in X-rays, and much of this emission traces the response of baryonic matter to the inexorable, gravity-driven growth of cosmic structure. At present, for example, half or more of the baryons in the Universe reside in a hot (>1 MK) X-ray-emitting phase. We discuss some of the remarkable progress that has been made in understanding the broad outlines of these processes with the current generation of X-ray observatories. We summarize the potential of recently launched and forthcoming X-ray observatories to track the development of large-scale cosmic structure and to understand the physics linking the growth of SMBH with that of the (many orders of magnitude larger) galaxies and clusters which host them. We briefly review nearer-term prospects for smaller, focussed missions, including one that will soon exploit pulsating X-ray emission from neutron stars to probe the equation of state of matter at nuclear densities.

Antiferromagnetic order and the structural order-disorder transition in the Cd6Ho quasicrystal approximant

NASA Astrophysics Data System (ADS)

Kreyssig, Andreas; Beutier, Guillaume; Hiroto, Takanobu; Kim, Min Gyu; Tucker, Gregory S.; de Boissieu, Marc; Tamura, Ryuji; Goldman, Alan I.

2013-09-01

It has generally been accepted that the orientational ordering of the Cd4 tetrahedron within the Cd6 R quasicrystal approximants is kinetically inhibited for R = Ho, Er, Tm and Lu by steric constraints. Our high-resolution X-ray scattering measurements of the Cd6Ho quasicrystal approximant, however, reveal an abrupt (first-order) transition to a monoclinic structure below T S = 178 K for samples that have 'aged' at room temperature for approximately one year, reopening this question. Using X-ray resonant magnetic scattering at the Ho L 3-edge we have elucidated the nature of the antiferromagnetic ordering below T N = 8.5 K in Cd6Ho. The magnetic Bragg peaks are found at the charge forbidden H + K + L = 2n + 1 positions, referenced to the high-temperature body-centred cubic structure. In general terms, this corresponds to antiferromagnetic arrangements of the Ho moments on adjacent clusters in the unit cell as previously found for Cd6Tb.

In situ X-Ray Diffraction of Shock-Compressed Fused Silica

NASA Astrophysics Data System (ADS)

Tracy, Sally June; Turneaure, Stefan J.; Duffy, Thomas S.

2018-03-01

Because of its widespread applications in materials science and geophysics, SiO2 has been extensively examined under shock compression. Both quartz and fused silica transform through a so-called "mixed-phase region" to a dense, low compressibility high-pressure phase. For decades, the nature of this phase has been a subject of debate. Proposed structures include crystalline stishovite, another high-pressure crystalline phase, or a dense amorphous phase. Here we use plate-impact experiments and pulsed synchrotron x-ray diffraction to examine the structure of fused silica shock compressed to 63 GPa. In contrast to recent laser-driven compression experiments, we find that fused silica adopts a dense amorphous structure at 34 GPa and below. When compressed above 34 GPa, fused silica transforms to untextured polycrystalline stishovite. Our results can explain previously ambiguous features of the shock-compression behavior of fused silica and are consistent with recent molecular dynamics simulations. Stishovite grain sizes are estimated to be ˜5 - 30 nm for compression over a few hundred nanosecond time scale.

Novel drift structures for silicon and compound semiconductor X-ray and gamma-ray detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patt, B.E.; Iwanczyk, J.S.

Recently developed silicon- and compound-semiconductor-based drift detector structures have produced excellent performance for charged particles, X-rays, and gamma rays and for low-signal visible light detection. The silicon drift detector (SDD) structures that the authors discuss relate to direct X-ray detectors and scintillation photon detectors coupled with scintillators for gamma rays. Recent designs include several novel features that ensure very low dark current and hence low noise. In addition, application of thin window technology ensures a very high quantum efficiency entrance window on the drift photodetector. The main features of the silicon drift structures for X rays and light detection aremore » very small anode capacitance independent of the overall detector size, low noise, and high throughput. To take advantage of the small detector capacitance, the first stage of the electronics needs to be integrated into the detector anode. In the gamma-ray application, factors other than electronic noise dominate, and there is no need to integrate the electronics into the anode. Thus, a different drift structure is needed in conjunction with a high-Z material. The main features in this case are large active detector volume and electron-only induced signal.« less

Attosecond time-energy structure of X-ray free-electron laser pulses

NASA Astrophysics Data System (ADS)

Hartmann, N.; Hartmann, G.; Heider, R.; Wagner, M. S.; Ilchen, M.; Buck, J.; Lindahl, A. O.; Benko, C.; Grünert, J.; Krzywinski, J.; Liu, J.; Lutman, A. A.; Marinelli, A.; Maxwell, T.; Miahnahri, A. A.; Moeller, S. P.; Planas, M.; Robinson, J.; Kazansky, A. K.; Kabachnik, N. M.; Viefhaus, J.; Feurer, T.; Kienberger, R.; Coffee, R. N.; Helml, W.

2018-04-01

The time-energy information of ultrashort X-ray free-electron laser pulses generated by the Linac Coherent Light Source is measured with attosecond resolution via angular streaking of neon 1s photoelectrons. The X-ray pulses promote electrons from the neon core level into an ionization continuum, where they are dressed with the electric field of a circularly polarized infrared laser. This induces characteristic modulations of the resulting photoelectron energy and angular distribution. From these modulations we recover the single-shot attosecond intensity structure and chirp of arbitrary X-ray pulses based on self-amplified spontaneous emission, which have eluded direct measurement so far. We characterize individual attosecond pulses, including their instantaneous frequency, and identify double pulses with well-defined delays and spectral properties, thus paving the way for X-ray pump/X-ray probe attosecond free-electron laser science.

A long-term space astrophysics research program: An x-ray perspective of the components and structure of galaxies

NASA Technical Reports Server (NTRS)

Fabbiano, G.

1995-01-01

X-ray studies of galaxies by the Smithsonian Astrophysical Observatory (SAO) and MIT are described. Activities at SAO include ROSAT PSPC x-ray data reduction and analysis pipeline; x-ray sources in nearby Sc galaxies; optical, x-ray, and radio study of ongoing galactic merger; a radio, far infrared, optical, and x-ray study of the Sc galaxy NGC247; and a multiparametric analysis of the Einstein sample of early-type galaxies. Activities at MIT included continued analysis of observations with ROSAT and ASCA, and continued development of new approaches to spectral analysis with ASCA and AXAF. Also, a new method for characterizing structure in galactic clusters was developed and applied to ROSAT images of a large sample of clusters. An appendix contains preprints generated by the research.

High precision detector robot arm system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shu, Deming; Chu, Yong

A method and high precision robot arm system are provided, for example, for X-ray nanodiffraction with an X-ray nanoprobe. The robot arm system includes duo-vertical-stages and a kinematic linkage system. A two-dimensional (2D) vertical plane ultra-precision robot arm supporting an X-ray detector provides positioning and manipulating of the X-ray detector. A vertical support for the 2D vertical plane robot arm includes spaced apart rails respectively engaging a first bearing structure and a second bearing structure carried by the 2D vertical plane robot arm.

Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kunnus, Kristjan; Josefsson, Ida; Rajkovic, Ivan

Here, ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbitalmore » and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)5 in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given—which will be covered experimentally by upcoming transform-limited x-ray sources.« less

Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics

DOE PAGES

Kunnus, Kristjan; Josefsson, Ida; Rajkovic, Ivan; ...

2016-10-07

Here, ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbitalmore » and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)5 in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given—which will be covered experimentally by upcoming transform-limited x-ray sources.« less

A nearly on-axis spectroscopic system for simultaneously measuring UV-visible absorption and X-ray diffraction in the SPring-8 structural genomics beamline.

PubMed

Sakaguchi, Miyuki; Kimura, Tetsunari; Nishida, Takuma; Tosha, Takehiko; Sugimoto, Hiroshi; Yamaguchi, Yoshihiro; Yanagisawa, Sachiko; Ueno, Go; Murakami, Hironori; Ago, Hideo; Yamamoto, Masaki; Ogura, Takashi; Shiro, Yoshitsugu; Kubo, Minoru

2016-01-01

UV-visible absorption spectroscopy is useful for probing the electronic and structural changes of protein active sites, and thus the on-line combination of X-ray diffraction and spectroscopic analysis is increasingly being applied. Herein, a novel absorption spectrometer was developed at SPring-8 BL26B2 with a nearly on-axis geometry between the X-ray and optical axes. A small prism mirror was placed near the X-ray beamstop to pass the light only 2° off the X-ray beam, enabling spectroscopic analysis of the X-ray-exposed volume of a crystal during X-ray diffraction data collection. The spectrometer was applied to NO reductase, a heme enzyme that catalyzes NO reduction to N2O. Radiation damage to the heme was monitored in real time during X-ray irradiation by evaluating the absorption spectral changes. Moreover, NO binding to the heme was probed via caged NO photolysis with UV light, demonstrating the extended capability of the spectrometer for intermediate analysis.

Analysis of solar X-ray data

NASA Technical Reports Server (NTRS)

Teske, R. G.

1972-01-01

Type III solar bursts occurring in the absence of solar flares were observed to be accompanied by weak X-radiation. The energy scale of an OSO-3 soft X-ray ion chamber was assessed using realistic theoretical X-ray spectra. Relationships between soft solar X-rays and solar activity were investigated. These included optical studies, the role of the Type III acceleration mechanism in establishing the soft X-ray source volume, H alpha flare intensity variations, and gross magnetic field structure.

GBM Observations of Be X-Ray Binary Outbursts

NASA Technical Reports Server (NTRS)

Wilson-Hodge, Colleen A.; Finger, M. H.; Jenke, P. A.

2014-01-01

Since 2008 we have been monitoring accreting pulsars using the Gamma ray Burst Monitor (GBM) on Fermi. This monitoring program includes daily blind full sky searches for previously unknown or previously quiescent pulsars and source specific analysis to track the frequency evolution of all detected pulsars. To date we have detected outbursts from 23 transient accreting pulsars, including 21 confirmed or likely Be/X-ray binaries. I will describe our techniques and highlight results for selected pulsars.