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  • 1.
    Allahgholi, Aschkan
    et al.
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Becker, Julian
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Delfs, Annette
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Dinapoli, Roberto
    Paul Scherrer Inst, Villigen, Switzerland.
    Goettlicher, Peter
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Greiffenberg, Dominic
    Paul Scherrer Inst, Villigen, Switzerland.
    Henrich, Beat
    Paul Scherrer Inst, Villigen, Switzerland.
    Hirsemann, Helmut
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Kuhn, Manuela
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Klanner, Robert
    Univ Hamburg, Hamburg, Germany.
    Klyuev, Alexander
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Krueger, Hans
    Univ Bonn, Bonn, Germany.
    Lange, Sabine
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Laurus, Torsten
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Marras, Alessandro
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Mezza, Davide
    Paul Scherrer Inst, Villigen, Switzerland.
    Mozzanica, Aldo
    Paul Scherrer Inst, Villigen, Switzerland.
    Niemann, Magdalena
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Poehlsen, Jennifer
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Schwandt, Joern
    Univ Hamburg, Hamburg, Germany.
    Sheviakov, Igor
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Shi, Xintian
    Paul Scherrer Inst, Villigen, Switzerland.
    Smoljanin, Sergej
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Steffen, Lothar
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Sztuk-Dambietz, Jolanta
    European XFEL, Schenefeld, Germany.
    Trunk, Ulrich
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Xia, Qingqing
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Zeribi, Mourad
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Zhang, Jiaguo
    Paul Scherrer Inst, Villigen, Switzerland.
    Zimmer, Manfred
    Deutsch Elekt Synchrotron, Hamburg, Germany.
    Schmitt, Bernd
    Paul Scherrer Inst, Villigen, Switzerland.
    Graafsma, Heinz
    Mid Sweden University, Faculty of Science, Technology and Media, Department of Electronics Design. Deutsch Elekt Synchrotron, Hamburg, Germany.
    The Adaptive Gain Integrating Pixel Detector at the European XFEL2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 74-82Article in journal (Refereed)
    Abstract [en]

    The Adaptive Gain Integrating Pixel Detector (AGIPD) is an X-ray imager, custom designed for the European X-ray Free-Electron Laser (XFEL). It is a fast, low-noise integrating detector, with an adaptive gain amplifier per pixel. This has an equivalent noise of less than 1keV when detecting single photons and, when switched into another gain state, a dynamic range of more than 10(4)photons of 12keV. In burst mode the system is able to store 352 images while running at up to 6.5MHz, which is compatible with the 4.5MHz frame rate at the European XFEL. The AGIPD system was installed and commissioned in August 2017, and successfully used for the first experiments at the Single Particles, Clusters and Biomolecules (SPB) experimental station at the European XFEL since September 2017. This paper describes the principal components and performance parameters of the system.

  • 2. Anderson, Danielle L.
    et al.
    Mirzayans, Razmik
    Andrais, Bonnie
    Siegbahn, E. Albert
    Stockholm University, Faculty of Science, Department of Physics.
    Fallone, B. Gino
    Warkentin, Brad
    Spatial and temporal distribution of gamma H2AX fluorescence in human cell cultures following synchrotron-generated X-ray microbeams: lack of correlation between persistent gamma H2AX foci and apoptosis2014In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 21, p. 801-810Article in journal (Refereed)
    Abstract [en]

    Formation of gamma H2AX foci (a marker of DNA double-strand breaks), rates of foci clearance and apoptosis were investigated in cultured normal human fibroblasts and p53 wild-type malignant glioma cells after exposure to high-dose synchrotron-generated microbeams. Doses up to 283 Gy were delivered using beam geometries that included a microbeam array (50 mu m wide, 400 mu m spacing), single microbeams (60-570 mu m wide) and a broad beam (32 mm wide). The two cell types exhibited similar trends with respect to the initial formation and time-dependent clearance of gamma H2AX foci after irradiation. High levels of gamma H2AX foci persisted as late as 72 h post-irradiation in the majority of cells within cultures of both cell types. Levels of persistent foci after irradiation via the 570 mu m microbeam or broad beam were higher when compared with those observed after exposure to the 60 mu m microbeam or microbeam array. Despite persistence of gamma H2AX foci, these irradiation conditions triggered apoptosis in only a small proportion (<5%) of cells within cultures of both cell types. These results contribute to the understanding of the fundamental biological consequences of high-dose microbeam irradiations, and implicate the importance of non-apoptotic responses such as p53-mediated growth arrest (premature senescence).

  • 3. Bora, D. K.
    et al.
    Cheng, X.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. Lawrence Berkeley National Laboratory, United States; University of Science and Technology of China, China.
    Kapilashrami, M.
    Glans, P. A.
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. University of Science and Technology of China, China.
    Guo, J. -H
    Influence of crystal structure, ligand environment and morphology on Co L-edge XAS spectral characteristics in cobalt compounds2015In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, p. 1450-1458Article in journal (Refereed)
    Abstract [en]

    The electronic structure of a material plays an important role in its functionality for different applications which can be probed using synchrotron-based spectroscopy techniques. Here, various cobalt-based compounds, differing in crystal structure, ligands surrounding the central metal ion and morphology, have been studied by soft X-ray absorption spectroscopy (XAS) at the Co L-edge in order to measure the effect of these parameters on the electronic structure. A careful qualitative analysis of the spectral branching ratio and relative intensities of the L 3 and L 2 peaks provide useful insight into the electronic properties of compounds such as CoO/Co(OH)2, CoCl2.6H2O/CoF2.4H2O, CoCl2/CoF2, Co3O4 (bulk/nano/micro). For further detailed analysis of the XAS spectra, quantitative analysis has been performed by fitting the spectral profile with simulated spectra for a number of cobalt compounds using crystal field atomic multiplet calculations.

  • 4. Bouchet, Audrey
    et al.
    Boumendjel, Ahcene
    Khalil, Enam
    Serduc, Raphael
    Braeuer, Elke
    Siegbahn, Erik Albert
    Stockholm University, Faculty of Science, Department of Physics.
    Laissue, Jean A.
    Boutonnat, Jean
    Chalcone JAI-51 improves efficacy of synchrotron microbeam radiation therapy of brain tumors2012In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 19, p. 478-482Article in journal (Refereed)
    Abstract [en]

    Microbeam radiation therapy (MRT), a preclinical form of radiosurgery, uses spatially fractionated micrometre-wide synchrotron-generated X-ray beams. As MRT alone is predominantly palliative for animal tumors, the effects of the combination of MRT and a newly synthesized chemotherapeutic agent JAI-51 on 9L gliosarcomas have been evaluated. Fourteen days (D14) after implantation (D0), intracerebral 9LGS-bearing rats received either MRT, JAI-51 or both treatments. JAI-51, alone or immediately after MRT, was administered three times per week. Animals were kept up to similar to 20 weeks after irradiation or sacrificed at D16 or D28 after treatment for cell cycle analysis. MRT plus JAI-51 increased significantly the lifespan compared with MRT alone (p = 0.0367). JAI-51 treatment alone had no effect on rat survival. MRT alone or associated with JAI-51 induced a cell cycle blockade in G2/M (p < 0.01) while the combined treatment also reduced the proportion of G0/G1 cells. At D28 after irradiation, MRT and MRT/JAI-51 had a smaller cell blockade effect in the G2/M phase owing to a significant increase in tumor cell death rate (<2c) and a proportional increase of endoreplicative cells (>8c). The combination of MRT and JAI-51 increases the survival of 9LGS-bearing rats by inducing endoreduplication of DNA and tumor cell death; further, it slowed the onset of tumor growth resumption two weeks after treatment.

  • 5.
    Cederström, Björn
    et al.
    KTH, School of Engineering Sciences (SCI), Physics.
    Ribbing, C.
    Lundqvist, M.
    Generalized prism-array lenses for hard X-rays2005In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 12, p. 340-344Article in journal (Refereed)
    Abstract [en]

    A Fresnel-like X-ray lens can be constructed by a triangular array of identical prisms whose base corresponds to the 2 pi-shift length. Each column of prisms is progressively shifted from the optical axis by an arbitrary fraction of the prism height. Similarly to the multi-prism lens, quasi-parabolic profiles are formed by a superposition of straight-line segments. The resulting projected lens profile is approximately linear with a Fresnel-lens pattern superimposed on it to provide the focusing. This geometry exhibits a significantly larger effective aperture than conventional parabolic refractive lenses. Prototype lenses were fabricated by deep reactive ion etching of silicon. These one-dimensionally focusing lenses were tested at a synchrotron beamline and provided focal line-widths down to 1.4 mu m FWHM and an intensity gain of 39 at a photon energy of 13.4 keV. Fabrication imperfections gave rise to unwanted interference effects resulting in several intensity maxima in the focal plane. The presented design allows the focal length to be shortened without decreasing the feature size of the lens. Furthermore, this feature size does not limit the resolution as for real Fresnel optics.

  • 6.
    Chatterjee, Ruchira
    et al.
    Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94704 USA.
    Weninger, Clemens
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
    Loukianov, Anton
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
    Gul, Sheraz
    Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94704 USA.
    Fuller, Franklin D.
    Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94704 USA;SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
    Cheah, Mun Hon
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Molecular Biomimetics.
    Fransson, Thomas
    SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.
    Pham, Cindy C.
    Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94704 USA.
    Nelson, Silke
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
    Song, Sanghoon
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
    Britz, Alexander
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
    Messinger, Johannes
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Molecular Biomimetics. Umea Univ, Kemiskt Biol Ctr, Inst Kemi, SE-90187 Umea, Sweden.
    Bergmann, Uwe
    SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.
    Alonso-Mori, Roberto
    SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
    Yachandra, Vittal K.
    Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94704 USA.
    Kern, Jan
    Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94704 USA.
    Yano, Junko
    Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94704 USA.
    XANES and EXAFS of dilute solutions of transition metals at XFELs2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 1716-1724Article in journal (Refereed)
    Abstract [en]

    This work has demonstrated that X-ray absorption spectroscopy (XAS), both Mn XANES and EXAFS, of solutions with millimolar concentrations of metal is possible using the femtosecond X-ray pulses from XFELs. Mn XAS data were collected using two different sample delivery methods, a Rayleigh jet and a drop-on-demand setup, with varying concentrations of Mn. Here, a new method for normalization of XAS spectra based on solvent scattering that is compatible with data collection from a highly variable pulsed source is described. The measured XANES and EXAFS spectra of such dilute solution samples are in good agreement with data collected at synchrotron sources using traditional scanning protocols. The procedures described here will enable XFEL-based XAS on dilute biological samples, especially metalloproteins, with low sample consumption. Details of the experimental setup and data analysis methods used in this XANES and EXAFS study are presented. This method will also benefit XAS performed at high-repetition-rate XFELs such as the European XFEL, LCLS-II and LCLS-II-HE.

  • 7. Chatterjee, Ruchira
    et al.
    Weninger, Clemens
    Loukianov, Anton
    Gul, Sheraz
    Fuller, Franklin D.
    Cheah, Mun Hon
    Fransson, Thomas
    Pham, Cindy C.
    Nelson, Silke
    Song, Sanghoon
    Britz, Alexander
    Messinger, Johannes
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Department of Chemistry, Ångström Laboratory, Molecular Biomimetics, Uppsala University, Sweden.
    Bergmann, Uwe
    Alonso-Mori, Roberto
    Yachandra, Vittal K.
    Kern, Jan
    Yano, Junko
    XANES and EXAFS of dilute solutions of transition metals at XFELs2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 1716-1724Article in journal (Refereed)
    Abstract [en]

    This work has demonstrated that X-ray absorption spectroscopy (XAS), both Mn XANES and EXAFS, of solutions with millimolar concentrations of metal is possible using the femtosecond X-ray pulses from XFELs. Mn XAS data were collected using two different sample delivery methods, a Rayleigh jet and a drop-on-demand setup, with varying concentrations of Mn. Here, a new method for normalization of XAS spectra based on solvent scattering that is compatible with data collection from a highly variable pulsed source is described. The measured XANES and EXAFS spectra of such dilute solution samples are in good agreement with data collected at synchrotron sources using traditional scanning protocols. The procedures described here will enable XFEL-based XAS on dilute biological samples, especially metalloproteins, with low sample consumption. Details of the experimental setup and data analysis methods used in this XANES and EXAFS study are presented. This method will also benefit XAS performed at high-repetition-rate XFELs such as the European XFEL, LCLS-II and LCLS-II-HE.

  • 8.
    Dullin, Christian
    et al.
    University of Medical Centre Gottingen, Germany.
    dal Monego, Simeone
    Cluster Biomed, Italy.
    Larsson, Emanuel
    Linköping University, Department of Physics, Chemistry and Biology, Molecular Surface Physics and Nano Science. Linköping University, The Institute of Technology. Elettra Sincrotrone Trieste, Italy; University of Trieste, Italy.
    Mohammadi, Sara
    Elettra Sincrotrone Trieste, Italy.
    Krenkel, Martin
    University of Gottingen, Germany.
    Garrovo, Chiara
    IRCCS Burlo Garofolo, Italy.
    Biffi, Stefania
    IRCCS Burlo Garofolo, Italy.
    Lorenzon, Andrea
    Cluster Biomed, Italy.
    Markus, Andrea
    University of Medical Centre Gottingen, Germany.
    Napp, Joanna
    University of Medical Centre Gottingen, Germany; University of Medical Centre Gottingen, Germany; Max Planck Institute Expt Med, Germany.
    Salditt, Tim
    University of Gottingen, Germany.
    Accardo, Agostino
    University of Trieste, Italy.
    Alves, Frauke
    University of Medical Centre Gottingen, Germany; University of Medical Centre Gottingen, Germany; Max Planck Institute Expt Med, Germany.
    Tromba, Giuliana
    Elettra Sincrotrone Trieste, Italy.
    Functionalized synchrotron in-line phase-contrast computed tomography: a novel approach for simultaneous quantification of structural alterations and localization of barium-labelled alveolar macrophages within mouse lung samples2015In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, p. 143-155Article in journal (Refereed)
    Abstract [en]

    Functionalized computed tomography (CT) in combination with labelled cells is virtually non-existent due to the limited sensitivity of X-ray-absorption-based imaging, but would be highly desirable to realise cell tracking studies in entire organisms. In this study we applied in-line free propagation X-ray phase-contrast CT (XPCT) in an allergic asthma mouse model to assess structural changes as well as the biodistribution of barium-labelled macrophages in lung tissue. Alveolar macrophages that were barium-sulfate-loaded and fluorescent-labelled were instilled intratracheally into asthmatic and control mice. Mice were sacrificed after 24 h, lungs were kept in situ, inflated with air and scanned utilizing XPCT at the SYRMEP beamline (Elettra Synchrotron Light Source, Italy). Single-distance phase retrieval was used to generate data sets with ten times greater contrast-to-noise ratio than absorption-based CT (in our setup), thus allowing to depict and quantify structural hallmarks of asthmatic lungs such as reduced air volume, obstruction of airways and increased soft-tissue content. Furthermore, we found a higher concentration as well as a specific accumulation of the barium-labelled macrophages in asthmatic lung tissue. It is believe that XPCT will be beneficial in preclinical asthma research for both the assessment of therapeutic response as well as the analysis of the role of the recruitment of macrophages to inflammatory sites.

  • 9.
    Dullin, Christian
    et al.
    University of Medical Centre Goettingen, Germany.
    Larsson, Emanuel
    Linköping University, Department of Physics, Chemistry and Biology, Molecular Surface Physics and Nano Science. Linköping University, Faculty of Science & Engineering. Elettra Sincrotrone Trieste, Italy; University of Trieste, Italy.
    Tromba, Giuliana
    Elettra Sincrotrone Trieste, Italy.
    Markus, Andrea M.
    University of Medical Centre Goettingen, Germany.
    Alves, Frauke
    University of Medical Centre Goettingen, Germany; University of Medical Centre Goettingen, Germany; Max Planck Institute Expt Med, Germany.
    Phase-contrast computed tomography for quantification of structural changes in lungs of asthma mouse models of different severity2015In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, p. 1106-1111Article in journal (Refereed)
    Abstract [en]

    Lung imaging in mouse disease models is crucial for the assessment of the severity of airway disease but remains challenging due to the small size and the high porosity of the organ. Synchrotron inline free-propagation phase-contrast computed tomography (CT) with its intrinsic high soft-tissue contrast provides the necessary sensitivity and spatial resolution to analyse the mouse lung structure in great detail. Here, this technique has been applied in combination with single-distance phase retrieval to quantify alterations of the lung structure in experimental asthma mouse models of different severity. In order to mimic an in vivo situation as close as possible, the lungs were inflated with air at a constant physiological pressure. Entire mice were embedded in agarose gel and imaged using inline free-propagation phase-contrast CT at the SYRMEP beamline (Synchrotron Light Source, Elettra, Trieste, Italy). The quantification of the obtained phase-contrast CT data sets revealed an increasing lung soft-tissue content in mice correlating with the degree of the severity of experimental allergic airways disease. In this way, it was possible to successfully discriminate between healthy controls and mice with either mild or severe allergic airway disease. It is believed that this approach may have the potential to evaluate the efficacy of novel therapeutic strategies that target airway remodelling processes in asthma.

  • 10.
    Graafsma, Heinz
    Mid Sweden University, Faculty of Science, Technology and Media, Department of Electronics Design.
    Hybrid pixel array detectors enter the low noise regime2016In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 23, no 2, p. 383-384Article in journal (Refereed)
  • 11.
    Jönsson, H. Olof
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Timneanu, Nicusor
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
    Östlin, Christofer
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Scott, Howard A.
    Caleman, Carl
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Simulations of Radiation Damage as a Function of the Temporal Pulse Profile in Femtosecond X-ray Protein Crystallography2015In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, no 2, p. 256-266Article in journal (Refereed)
    Abstract [en]

    Serial femtosecond X-ray crystallography of protein nanocrystals using ultrashort and intense pulses from an X-ray free-electron laser has proved to be a successful method for structural determination. However, due to significant variations in diffraction pattern quality from pulse to pulse only a fraction of the collected frames can be used. Experimentally, the X-ray temporal pulse profile is not known and can vary with every shot. This simulation study describes how the pulse shape affects the damage dynamics, which ultimately affects the biological interpretation of electron density. The instantaneously detected signal varies during the pulse exposure due to the pulse properties, as well as the structural and electronic changes in the sample. Here ionization and atomic motion are simulated using a radiation transfer plasma code. Pulses with parameters typical for X-ray free-electron lasers are considered: pulse energies ranging from 10$\sp 4$ to 10$\sp 7$Jcm$\sp $-$2$ with photon energies from 2 to 12keV, up to 100fs long. Radiation damage in the form of sample heating that will lead to a loss of crystalline periodicity and changes in scattering factor due to electronic reconfigurations of ionized atoms are considered here. The simulations show differences in the dynamics of the radiation damage processes for different temporal pulse profiles and intensities, where ionization or atomic motion could be predominant. The different dynamics influence the recorded diffracted signal in any given resolution and will affect the subsequent structure determination.

  • 12.
    Kubo, Minoru
    et al.
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Japan Sci & Technol Agcy, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 3320012, Japan..
    Nango, Eriko
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Kyoto Univ, Grad Sch Med, Dept Cell Biol, Sakyo Ku, Yoshidakonoe Cho, Kyoto 6068501, Japan..
    Tono, Kensuke
    Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan..
    Kimura, Tetsunari
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Kobe Univ, Grad Sch Sci, Dept Chem, Nada Ku, 1-1 Rokkodai, Kobe, Hyogo 6578501, Japan..
    Owada, Shigeki
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Song, Changyong
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea..
    Mafune, Fumitaka
    Univ Tokyo, Sch Arts & Sci, Dept Basic Sci, Meguro Ku, Tokyo 1538902, Japan..
    Miyajima, Ken
    Univ Tokyo, Sch Arts & Sci, Dept Basic Sci, Meguro Ku, Tokyo 1538902, Japan..
    Takeda, Yoshihiro
    Genesis Res Inst Inc, East Tokyo Lab, Ichikawa, Chiba 2720001, Japan..
    Kohno, Jun-ya
    Gakushuin Univ, Sch Sci, Dept Chem, Toshima Ku, Tokyo, Japan..
    Miyauchi, Naoya
    Natl Inst Mat Sci, Res Ctr Adv Measurement & Characterizat, Tsukuba, Ibaraki 3050047, Japan..
    Nakane, Takanori
    Univ Tokyo, Grad Sch Sci, Dept Biol Sci, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1130033, Japan..
    Tanaka, Tomoyuki
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Nomura, Takashi
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Davidsson, Jan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Tanaka, Rie
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Murata, Michio
    Osaka Univ, Lipid Act Struct Project, JST ERATO, 1-1 Machikaneyama, Toyonaka, Osaka 5600043, Japan..
    Kameshima, Takashi
    Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan..
    Hatsui, Takaki
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Joti, Yasumasa
    Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan..
    Neutze, Richard
    Univ Gothenburg, Dept Chem & Mol Biol, Box 462, SE-40530 Gothenburg, Sweden..
    Yabashi, Makina
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Iwata, So
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Kyoto Univ, Grad Sch Med, Dept Cell Biol, Sakyo Ku, Yoshidakonoe Cho, Kyoto 6068501, Japan..
    Nanosecond pump-probe device for time-resolved serial femtosecond crystallography developed at SACLA2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 1086-1091Article in journal (Refereed)
    Abstract [en]

    X-ray free-electron lasers (XFELs) have opened new opportunities for timeresolved X-ray crystallography. Here a nanosecond optical-pump XFEL-probe device developed for time-resolved serial femtosecond crystallography (TRSFX) studies of photo-induced reactions in proteins at the SPring-8 Angstrom Compact free-electron LAser (SACLA) is reported. The optical-fiber-based system is a good choice for a quick setup in a limited beam time and allows pump illumination from two directions to achieve high excitation efficiency of protein microcrystals. Two types of injectors are used: one for extruding highly viscous samples such as lipidic cubic phase (LCP) and the other for pulsed liquid droplets. Under standard sample flow conditions from the viscous-sample injector, delay times from nanoseconds to tens of milliseconds are accessible, typical time scales required to study large protein conformational changes. A first demonstration of a TR-SFX experiment on bacteriorhodopsin in bicelle using a setup with a droplet-type injector is also presented.

  • 13.
    Larsen, Simon R.
    et al.
    Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark.
    Hansteen, Marie
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway.
    Pacakova, Barbara
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway.
    Theodor, Keld
    Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark.
    Arnold, Thomas
    Harwell Sci & Innovat Campus, Diamond Light Source, Fermi Ave, Oxon, England.
    Rennie, Adrian R.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
    Helgesen, Geir
    Inst Energy Technol IFE, Kjeller, Norway.
    Knudsen, Kenneth D.
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway; Inst Energy Technol IFE, Kjeller, Norway.
    Bordallo, Heloisa N.
    Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark; European Spallat Source ERIC, Lund, Sweden.
    Fossum, Jon Otto
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway.
    Cavalcanti, Leide P.
    Inst Energy Technol IFE, Kjeller, Norway.
    Sample cell for studying liquid interfaces with an in situ electric field using X-ray reflectivity and application to clay particles at oil–oil interfaces2018In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 25, no Part: 3, p. 915-917Article in journal (Refereed)
    Abstract [en]

    Commissioning results of a liquid sample cell for X-ray reflectivity studies with an in situ applied electrical field are presented. The cell consists of a Plexiglas container with lateral Kapton windows for air-liquid and liquid-liquid interface studies, and was constructed with grooves to accept plate electrodes on the walls parallel to the direction of the beam. Both copper and ITO plate electrodes have been used, the latter being useful for simultaneous optical studies. Commissioning tests were made at the I07 beamline of the Diamond Light Source.

  • 14.
    Larsson, Emanuel
    Hamburg University of Technology, Germany.
    De Carlo, Francesco (Contributor)
    Lilleodden, Erica (Contributor)
    Institute of Advanced Ceramics, Hamburg University of Technology, Hamburg 21073, Germany.
    Storm, Malte (Contributor)
    Wilde, Fabian (Contributor)
    Kaixiong, Hu (Contributor)
    Müller, Martin (Contributor)
    Greving, Imke (Contributor)
    Nanoporous gold: a hierarchical and multiscale 3D test pattern for characterizing X-ray nano-tomography systems2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, no 1Article in journal (Refereed)
    Abstract [en]

    Full-field transmission X-ray microscopy (TXM) is a well established technique, available at various synchrotron beamlines around the world as well as by laboratory benchtop devices. One of the major TXM challenges, due to its nanometre-scale resolution, is the overall instrument stability during the acquisition of the series of tomographic projections. The ability to correct for vertical and horizontal distortions of each projection image during acquisition is necessary in order to achieve the effective 3D spatial resolution. The effectiveness of such an image alignment is also heavily influenced by the absorption properties and strong contrast of specific features in the scanned sample. Here it is shown that nanoporous gold (NPG) can be used as an ideal 3D test pattern for evaluating and optimizing the performance of a TXM instrument for hard X-rays at a synchrotron beamline. Unique features of NPG, such as hierarchical structures at multiple length scales and high absorbing capabilities, makes it an ideal choice for characterization, which involves a combination of a rapid-alignment algorithm applied on the acquired projections followed by the extraction of a set of both 2D- and 3D-descriptive image parameters. This protocol can be used for comparing the efficiency of TXM instruments at different synchrotron beamlines in the world or benchtop devices, based on a reference library of scanned NPG samples, containing information about the estimated horizontal and vertical alignment values, 2D qualitative parameters and quantitative 3D parameters. The possibility to tailor the ligament sizes of NPG to match the achievable resolution in combination with the high electron density of gold makes NPG an ideal 3D test pattern for evaluating the status and performance of a given synchrotron-based or benchtop-based TXM setup.

  • 15.
    Mak, Alan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, FREIA.
    Salén, Peter
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, FREIA.
    Goryashko, Vitaliy
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, FREIA.
    Compact undulator line for a high-brilliance soft-X-ray free-electron laser at MAX IV2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 891-898Article in journal (Refereed)
    Abstract [en]

    The optimal parameter space for an X-ray free-electron laser (FEL) in the self-amplified spontaneous emission (SASE) operation mode is examined. This study focuses on FEL operation with a shorter undulator period and higher undulator strength made available through recent developments in in-vacuum, cryogenic and superconducting undulators. Progress on short-period undulator technologies is surveyed and FEL output characteristics versus undulator parameters are computed. The study is performed on a case of the planned soft-X-ray FEL at the MAX IV Laboratory in Sweden. An extension of the SASE mode into the harmonic lasing self-seeded mode is also analysed.

  • 16.
    Mittone, Alberto
    et al.
    European Synchrotron Radiat Facil, 71 Ave Martyrs, F-38000 Grenoble, France..
    Manakov, Ilja
    Ludwig Maximimilian Univ, Coulombwall 1, D-85748 Munich, Germany..
    Broche, Ludovic
    Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Medicine, Department of Surgical Sciences, Hedenstierna laboratory.
    Jarnias, Christophe
    European Synchrotron Radiat Facil, 71 Ave Martyrs, F-38000 Grenoble, France..
    Coan, Paola
    Ludwig Maximimilian Univ, Coulombwall 1, D-85748 Munich, Germany..
    Bravin, Alberto
    European Synchrotron Radiat Facil, 71 Ave Martyrs, F-38000 Grenoble, France..
    Characterization of a sCMOS-based high-resolution imaging system2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 1226-1236Article in journal (Refereed)
    Abstract [en]

    The detection system is a key part of any imaging station. Here the performance of the novel sCMOS-based detection system installed at the ID17 biomedical beamline of the European Synchrotron Radiation Facility and dedicated to high-resolution computed-tomography imaging is analysed. The system consists of an X-ray-visible-light converter, a visible-light optics and a PCO.Edge5.5 sCMOS detector. Measurements of the optical characteristics, the linearity of the system, the detection lag, the modulation transfer function, the normalized power spectrum, the detective quantum efficiency and the photon transfer curve are presented and discussed. The study was carried out at two different X-ray energies (35 and 50 keV) using both 2x and 1x optical magnification systems. The final pixel size resulted in 3.1 and 6.2 mu m, respectively. The measured characteristic parameters of the PCO.Edge5.5 are in good agreement with the manufacturer specifications. Fast imaging can be achieved using this detection system, but at the price of unavoidable losses in terms of image quality. The way in which the X-ray beam inhomogeneity limited some of the performances of the system is also discussed.

  • 17.
    Mohammadi, Sara
    et al.
    Abdus Salam International Centre for Theoretical Physics, Trieste, Italy.
    Larsson, Emanuel
    Linköping University, Department of Physics, Chemistry and Biology, Molecular Surface Physics and Nano Science. Linköping University, The Institute of Technology. Synchrotron Light Source `Elettra' Trieste, Italy.
    Alves, Frauke
    University Hospital Goettingen, Germany .
    Dal Monego, Simeone
    Cluster Biomed Scrl, Trieste, Italy .
    Biffi, Stefania
    IRCCS Burlo Garofolo, Trieste, Italy .
    Garrovo, Chiara
    IRCCS Burlo Garofolo, Trieste, Italy .
    Lorenzon, Andrea
    Cluster Biomed Scrl, Trieste, Italy .
    Tromba, Giuliana
    Synchrotron Light Source `Elettra' Trieste, Italy.
    Dullin, Christian
    University Hospital Goettingen, Germany .
    Quantitative evaluation of a single-distance phase-retrieval method applied on in-line phase-contrast images of a mouse lung2014In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 21, p. 784-789Article in journal (Refereed)
    Abstract [en]

    Propagation-based X-ray phase-contrast computed tomography (PBI) has already proven its potential in a great variety of soft-tissue-related applications including lung imaging. However, the strong edge enhancement, caused by the phase effects, often hampers image segmentation and therefore the quantitative analysis of data sets. Here, the benefits of applying single-distance phase retrieval prior to the three-dimensional reconstruction (PhR) are discussed and quantified compared with three-dimensional reconstructions of conventional PBI data sets in terms of contrast-to-noise ratio (CNR) and preservation of image features. The PhR data sets show more than a tenfold higher CNR and only minor blurring of the edges when compared with PBI in a predominately absorption-based set-up. Accordingly, phase retrieval increases the sensitivity and provides more functionality in computed tomography imaging.

  • 18.
    Nasedkin, Alexandr
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Davidsson, Jan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Kumpugdee-Vollrath, Mont
    Determination of nanostructure of liposomes containing two model drugs by X-ray scattering from a synchrotron source2013In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 20, p. 721-728Article in journal (Refereed)
    Abstract [en]

    Small-angle X-ray scattering has been employed to study how the introduction of paracetamol and acetylsalicylic acid into a liposome bilayer system affects the system's nanostructure. An X-ray scattering model, developed for multilamellar liposome systems [Pabst et al. (2000), Phys. Rev. E, 62, 4000-4009], has been used to fit the experimental data and to extract information on how structural parameters, such as the number and thickness of the bilayers of the liposomes, thickness of the water layer in between the bilayers, size and volume of the head and tail groups, are affected by the drugs and their concentration. Even though the experimental data reveal a complicated picture of the drug-bilayer interaction, they clearly show a correlation between nanostructure, drug and concentration in some aspects. The localization of the drugs in the bilayers is discussed.

  • 19. Nass, Karol
    et al.
    Foucar, Lutz
    Barends, Thomas R. M.
    Hartmann, Elisabeth
    Botha, Sabine
    Shoeman, Robert L.
    Doak, R. Bruce
    Alonso-Mori, Roberto
    Aquila, Andrew
    Bajt, Saša
    Barty, Anton
    Bean, Richard
    Beyerlein, Kenneth R.
    Bublitz, Maike
    Drachmann, Nikolaj
    Gregersen, Jonas
    Jönsson, H. Olof
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Kabsch, Wolfgang
    Kassemeyer, Stephan
    Koglin, Jason E.
    Krumrey, Michael
    Mattle, Daniel
    Messerschmidt, Marc
    Nissen, Poul
    Reinhard, Linda
    Sitsel, Oleg
    Sokaras, Dimosthenis
    Williams, Garth J.
    Hau-Riege, Stefan
    Timneanu, Nicusor
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Caleman, Carl
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Chapman, Henry N.
    Boutet, Sébastien
    Schlichting, Ilme
    Indications of radiation damage in ferredoxin microcrystals using high-intensity X-FEL beams2015In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, no 2, p. 225-238Article in journal (Refereed)
    Abstract [en]

    Proteins that contain metal cofactors are expected to be highly radiation sensitive since the degree of X-ray absorption correlates with the presence of high-atomic-number elements and X-ray energy. To explore the effects of local damage in serial femtosecond crystallography (SFX), Clostridium ferredoxin was used as a model system. The protein contains two [4Fe–4S] clusters that serve as sensitive probes for radiation-induced electronic and structural changes. High-dose room-temperature SFX datasets were collected at the Linac Coherent Light Source of ferredoxin microcrystals. Difference electron density maps calculated from high-dose SFX and synchrotron data show peaks at the iron positions of the clusters, indicative of decrease of atomic scattering factors due to ionization. The electron density of the two [4Fe–4S] clusters differs in the FEL data, but not in the synchrotron data. Since the clusters differ in their detailed architecture, this observation is suggestive of an influence of the molecular bonding and geometry on the atomic displacement dynamics following initial photoionization. The experiments are complemented by plasma code calculations.

  • 20.
    Nji, Emmanuel
    et al.
    Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics. Confo Therapeutics, Belgium.
    Traore, Daouda A. K.
    Ndi, Mama
    Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics.
    Joko, Carolyn A.
    Doyle, Declan A.
    BioStruct-Africa: empowering Africa-based scientists through structural biology knowledge transfer and mentoring - recent advances and future perspectives2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 1843-1850Article in journal (Refereed)
    Abstract [en]

    Being able to visualize biology at the molecular level is essential for our understanding of the world. A structural biology approach reveals the molecular basis of disease processes and can guide the design of new drugs as well as aid in the optimization of existing medicines. However, due to the lack of a synchrotron light source, adequate infrastructure, skilled persons and incentives for scientists in addition to limited financial support, the majority of countries across the African continent do not conduct structural biology research. Nevertheless, with technological advances such as robotic protein crystallization and remote data collection capabilities offered by many synchrotron light sources, X-ray crystallography is now potentially accessible to Africa-based scientists. This leap in technology led to the establishment in 2017 of BioStruct-Africa, a non-profit organization (Swedish corporate ID: 802509-6689) whose core aim is capacity building for African students and researchers in the field of structural biology with a focus on prevalent diseases in the African continent. The team is mainly composed of, but not limited to, a group of structural biologists from the African diaspora. The members of BioStruct-Africa have taken up the mantle to serve as a catalyst in order to facilitate the information and technology transfer to those with the greatest desire and need within Africa. BioStruct-Africa achieves this by organizing workshops onsite at our partner universities and institutions based in Africa, followed by post-hoc online mentoring of participants to ensure sustainable capacity building. The workshops provide a theoretical background on protein crystallography, hands-on practical experience in protein crystallization, crystal harvesting and cryo-cooling, live remote data collection on a synchrotron beamline, but most importantly the links to drive further collaboration through research. Capacity building for Africa-based researchers in structural biology is crucial to win the fight against the neglected tropical diseases, e.g. ascariasis, hookworm, trichuriasis, lymphatic filariasis, active trachoma, loiasis, yellow fever, leprosy, rabies, sleeping sickness, onchocerciasis, schistosomiasis, etc., that constitute significant health, social and economic burdens to the continent. BioStruct-Africa aims to build local and national expertise that will have direct benefits for healthcare within the continent.

  • 21. Pettersson, L. G. M.
    et al.
    Nilsson, A.
    Myneni, S.
    Luo, Yi
    KTH, Superseded Departments, Biotechnology.
    Nyberg, M.
    Cavalleri, M.
    Ojamae, L.
    Naslund, L. A.
    Ogasawara, H.
    Odelius, M.
    Pelmenschikov, A.
    Electronic structure effects from hydrogen bonding in the liquid phase and in chemisorption: an integrated theory and experimental effort2001In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 8, p. 136-140Article in journal (Refereed)
    Abstract [en]

    A closely integrated theoretical and experimental effort to understand chemical bonding using X-ray spectroscopic probes is presented. Theoretical techniques to simulate XAS (X-ray absorption spectroscopy), XES (X-ray emission spectroscopy), RIXS (resonant inelastic X-ray scattering) and XPS (X-ray photoelectron spectroscopy) spectra have been developed and implemented within a density functional theory (DFT) framework. In combination with new experimental techniques, such as high-resolution XAS on liquid water under ambient conditions and XES on complicated surface adsorbates, new insight into e.g. hydrogen-bonded systems is obtained. For the (3 x 2) overlayer structure of glycine/Cu(110), earlier work has been extended to include adsorbate-adsorbate interactions. Structures are optimized for large cluster models and for periodic boundary conditions. It is found that specific features in the spectra arise from hydrogen-bonding interactions, which thus have important effects at the molecular-orbital level. XAS on liquid water shows a pronounced pre-edge feature with significant intensity, while the spectrum of ice shows only little intensity in this region. Theoretical spectrum calculations, based on instantaneous structures obtained from molecular-dynamics (MD) simulations, show that the pre-edge feature in the liquid is caused by water molecules with unsaturated hydrogen bonding. Some aspects of the theoretical simulations will be briefly discussed.

  • 22.
    Pettersson, Lars G. M.
    et al.
    FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden.
    Nilsson, Anders
    Physics Department, University of Uppsala, Box 530, S-751 21 Uppsala, Sweden.
    Myneni, Satish
    Department of Geosciences, Princeton University, Princeton, NJ 08544, USA.
    Luo, Yi
    FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden.
    Nyberg, Mats
    FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden.
    Cavalleri, Matteo
    FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden.
    Ojamäe, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Physical Chemistry .
    Näslund, Lars-Åke
    FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden.
    Ogasawara, Hirohito
    Physics Department, University of Uppsala, Box 530, S-751 21 Uppsala, Sweden.
    Odelius, Michael
    Physical Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91 Stockholm, Sweden.
    Pelmenschikov, Alexander
    FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden.
    Electronic structure effects from hydrogen bonding in the liquid phase and in chemisorption: an integrated theory and experimental effort2001In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 8, no 2, p. 136-140Article in journal (Refereed)
    Abstract [en]

    A closely integrated theoretical and experimental effort to understand chemical bonding using X-ray spectroscopic probes is presented. Theoretical techniques to simulate XAS (X-ray absorption spectroscopy), XES (X-ray emission spectroscopy), RIXS (resonant inelastic X-ray scattering) and XPS (X-ray photoelectron spectroscopy) spectra have been developed and implemented within a density functional theory (DFT) framework. In combination with new experimental techniques, such as high-resolution XAS on liquid water under ambient conditions and XES on complicated surface adsorbates, new insight into e.g. hydrogen-bonded systems is obtained. For the (3×2) overlayer structure of glycine/Cu(110), earlier work has been extended to include adsorbate-adsorbate interactions. Structures are optimized for large cluster models and for periodic boundary conditions. It is found that specific features in the spectra arise from hydrogen-bonding interactions, which thus have important effects at the molecular-orbital level. XAS on liquid water shows a pronounced pre-edge feature with significant intensity, while the spectrum of ice shows only little intensity in this region. Theoretical spectrum calculations, based on instantaneous structures obtained from molecular-dynamics (MD) simulations, show that the pre-edge feature in the liquid is caused by water molecules with unsaturated hydrogen bonding. Some aspects of the theoretical simulations will be briefly discussed.

  • 23.
    Pietrini, Alberto
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
    Nettelblad, Carl
    Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science. Uppsala University, Science for Life Laboratory, SciLifeLab.
    Artifact reduction in the CSPAD detectors used for LCLS experiments2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 1092-1097Article in journal (Refereed)
  • 24.
    Samain, Louise
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry. Univ Liege, Ctr Europeen Archeometrie, Belgium.
    Grandjean, Fernande
    Long, Gary J.
    Martinetto, Pauline
    Bordet, Pierre
    Sanyova, Jana
    Strivay, David
    Synthesis and fading of eighteenth-century Prussian blue pigments: a combined study by spectroscopic and diffractive techniques using laboratory and synchrotron radiation sources2013In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 20, p. 460-473Article in journal (Refereed)
    Abstract [en]

    Prussian blue, a hydrated iron(III) hexacyanoferrate(II) complex, is a synthetic pigment discovered in Berlin in 1704. Because of both its highly intense color and its low cost, Prussian blue was widely used as a pigment in paintings until the 1970s. The early preparative methods were rapidly recognized as a contributory factor in the fading of the pigment, a fading already known by the mid-eighteenth century. Herein two typical eighteenth-century empirical recipes have been reproduced and the resulting pigment analyzed to better understand the reasons for this fading. X-ray absorption and Mossbauer spectroscopy indicated that the early syntheses lead to Prussian blue together with variable amounts of an undesirable iron(III) product. Pair distribution functional analysis confirmed the presence of nanocrystalline ferrihydrite, Fe10O14(OH)(2), and also identified the presence of alumina hydrate, Al10O14(OH)(2), with a particle size of similar to 15 angstrom. Paint layers prepared from these pigments subjected to accelerated light exposure showed a tendency to turn green, a tendency that was often reported in eighteenth- and nineteenth-century books. The presence of particles of hydrous iron(III) oxides was also observed in a genuine eighteenth-century Prussian blue sample obtained from a polychrome sculpture.

  • 25. Sandstrom, M.
    et al.
    Persson, I.
    Jalilehvand, F.
    Lindquist-Reis, P.
    Spangberg, D.
    Hermansson, Kersti
    KTH, Superseded Departments, Biotechnology.
    Hydration of some large and highly charged metal ions2001In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 8, p. 657-659Article in journal (Refereed)
    Abstract [en]

    EXAFS studies of metal ions with hydration numbers higher than six in aqueous solution, often show asymmetric distribution of the metal-oxygen bond distances. The hydration number can be determined from a correlation with the bond distance. The mean Ca-O distance 2.46(1) Angstrom shows the calcium( II) ion to be eight-hydrated in a wide asymmetric distribution. Theoretically calculated EXAFS oscillations for individual snapshots from an MD simulation show large variations. The scandium( III) ion is surrounded by two groups of about eight water molecules, with the mean Sc-O distance 2.185(6) Angstrom. The yttrium( III) ion coordinates eight waters in an asymmetric distribution at 2.368(5) Angstrom, and the lanthanum( III) ion 6 + 3 water molecules at 2.52(2) and 2.65(3) Angstrom, respectively. For the the uranium( IV) and thorium(IV) ions, the M-O distances 2.42(1) and 2.45(1) Angstrom, respectively, indicate hydration numbers close to 10.

  • 26. Schmid, F.
    et al.
    Sommer, G.
    Rappolt, M.
    Schulze-Bauer, C. A. J.
    Regitnig, P.
    Holzapfel, Gerhard A.
    Laggner, P.
    Amenitsch, H.
    In situ tensile testing of human aortas by time-resolved small-angle X-ray scattering2005In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 12, p. 727-733Article in journal (Refereed)
    Abstract [en]

    The collagen diffraction patterns of human aortas under uniaxial tensile test conditions have been investigated by synchrotron small- angle X- ray scattering. Using a recently designed tensile testing device the orientation and d- spacing of the collagen fibers in the adventitial layer have been measured in situ with the macroscopic force and sample stretching under physiological conditions. The results show a direct relation between the orientation and extension of the collagen fibers on the nanoscopic level and the macroscopic stress and strain. This is attributed first to a straightening, second to a reorientation of the collagen fibers, and third to an uptake of the increasing loads by the collagen fibers.

  • 27. Schmitt, Thorsten
    et al.
    de Groot, Frank M. F.
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings2014In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 21, p. 1065-1076Article in journal (Refereed)
    Abstract [en]

    The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size to new limits. With RIXS one nowadays probes a broad range of electronic systems reaching from simple molecules to complex materials displaying phenomena like peculiar magnetism, two-dimensional electron gases, superconductivity, photovoltaic energy conversion and heterogeneous catalysis. In this article the types of improved RIXS studies that will become possible with X-ray beams from DLSRs are envisioned.

  • 28. Schnadt, Joachim
    et al.
    Knudsen, Jan
    Andersen, Jesper N.
    Siegbahn, Hans
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Pietzsch, Annette
    Hennies, Franz
    Johansson, Niclas
    Mårtensson, Nils
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Ohrwall, Gunnar
    Bahr, Stephan
    Maehl, Sven
    Schaff, Oliver
    The new ambient-pressure X-ray photoelectron spectroscopy instrument at MAX-lab2012In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 19, p. 701-704Article in journal (Refereed)
    Abstract [en]

    The new instrument for near-ambient-pressure X-ray photoelectron spectroscopy which has been installed at the MAX II ring of the Swedish synchrotron radiation facility MAX IV Laboratory in Lund is presented. The new instrument, which is based on a SPECS PHOIBOS 150 NAP analyser, is the first to feature the use of retractable and exchangeable high-pressure cells. This implies that clean vacuum conditions are retained in the instrument's analysis chamber and that it is possible to swiftly change between near-ambient and ultrahigh-vacuum conditions. In this way the instrument implements a direct link between ultrahigh-vacuum and in situ studies, and the entire pressure range from ultrahigh-vacuum to near-ambient conditions is available to the user. Measurements at pressures up to 10(-5) mbar are carried out in the ultrahigh-vacuum analysis chamber, while measurements at higher pressures are performed in the high-pressure cell. The installation of a mass spectrometer on the exhaust line of the reaction cell offers the users the additional dimension of simultaneous reaction data monitoring. Moreover, the chosen design approach allows the use of dedicated cells for different sample environments, rendering the Swedish ambient-pressure X-ray photoelectron spectroscopy instrument a highly versatile and flexible tool.

  • 29.
    Schulz, J.
    et al.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Bielecki, J.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Doak, R. B.
    Max Planck Inst Med Res, Jahnstr 29, D-69120 Heidelberg, Germany.
    Doerner, K.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Graceffa, R.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Shoeman, R. L.
    Max Planck Inst Med Res, Jahnstr 29, D-69120 Heidelberg, Germany.
    Sikorski, M.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Thute, P.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Westphal, Daniel
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
    Mancuso, A. P.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany;La Trobe Univ, Dept Chem & Phys, La Trobe Inst Mol Sci, Melbourne, Vic 3086, Australia.
    A versatile liquid-jet setup for the European XFEL2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 339-345Article in journal (Refereed)
    Abstract [en]

    The SPB/SFX instrument of the European XFEL provides unique possibilities for high-throughput serial femtosecond crystallography. This publication presents the liquid-jet sample delivery setup of this instrument. The setup is compatible with state-of-the-art gas dynamic virtual nozzle systems as well as high-viscosity extruders and provides space and flexibility for other liquid injection devices and future upgrades. The liquid jets are confined in a differentially pumped catcher assembly and can be replaced within a couple of minutes through a load-lock. A two-microscope imaging system allows visual control of the jets from two perspectives.

  • 30. Shastri, S. D.
    et al.
    Almer, J.
    Ribbing, C.
    Cederström, Björn
    KTH, School of Engineering Sciences (SCI), Physics, Physics of Medical Imaging.
    High-energy X-ray optics with silicon saw-tooth refractive lenses2007In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 14, p. 204-211Article in journal (Refereed)
    Abstract [en]

    Silicon saw-tooth refractive lenses have been in successful use for vertical focusing and collimation of high-energy X-rays (50-100 keV) at the 1-ID undulator beamline of the Advanced Photon Source. In addition to presenting an effectively parabolic thickness profile, as required for aberration-free refractive optics, these devices allow high transmission and continuous tunability in photon energy and focal length. Furthermore, the use of a single-crystal material (i.e. Si) minimizes small-angle scattering background. The focusing performance of such saw-tooth lenses, used in conjunction with the 1-ID beamline's bent double-Laue monochromator, is presented for both short (similar to 1: 0.02) and long (similar to 1: 0.6) focal-length geometries, giving line-foci in the 2 mu m-25 mu m width range with 81 keV X-rays. In addition, a compound focusing scheme was tested whereby the radiation intercepted by a distant short-focal-length lens is increased by having it receive a collimated beam from a nearer ( upstream) lens. The collimation capabilities of Si saw-tooth lenses are also exploited to deliver enhanced throughput of a subsequently placed small-angular-acceptance high-energy-resolution post-monochromator in the 50-80 keV range. The successful use of such lenses in all these configurations establishes an important detail, that the pre-monochromator, despite being comprised of vertically reflecting bent Laue geometry crystals, can be brilliance-preserving to a very high degree.

  • 31. Shastri, S D
    et al.
    Almer, J
    Ribbing, Carolina
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Electronics.
    Cederström, B
    High-energy X-ray optics with silicon saw-tooth refractive lenses2007In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 14, no part 2, p. 204-211Article in journal (Refereed)
    Abstract [en]

    Silicon saw-tooth refractive lenses have been in successful use for vertical focusing and collimation of high-energy X-rays (50-100 keV) at the 1-ID undulator beamline of the Advanced Photon Source. In addition to presenting an effectively parabolic thickness profile, as required for aberration-free refractive optics, these devices allow high transmission and continuous tunability in photon energy and focal length. Furthermore, the use of a single-crystal material (i.e. Si) minimizes small-angle scattering background. The focusing performance of such saw-tooth lenses, used in conjunction with the 1-ID beamline's bent double-Laue monochromator, is presented for both short (1:0.02) and long (1:0.6) focal-length geometries, giving line-foci in the 2 µm-25 µm width range with 81 keV X-rays. In addition, a compound focusing scheme was tested whereby the radiation intercepted by a distant short-focal-length lens is increased by having it receive a collimated beam from a nearer (upstream) lens. The collimation capabilities of Si saw-tooth lenses are also exploited to deliver enhanced throughput of a subsequently placed small-angular-acceptance high-energy-resolution post-monochromator in the 50-80 keV range. The successful use of such lenses in all these configurations establishes an important detail, that the pre-monochromator, despite being comprised of vertically reflecting bent Laue geometry crystals, can be brilliance-preserving to a very high degree.

  • 32.
    Uhlén, Fredrik
    et al.
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics.
    Rahomäki, Jussi
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics.
    Nilsson, Daniel
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics.
    Seiboth, Frank
    Sanz, Claude
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics.
    Wagner, Ulrich
    Rau, Christoph
    Schroer, Christian G.
    Vogt, Ulrich
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics.
    Ronchi test for characterization of X-ray nanofocusing optics and beamlines2014In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 21, p. 1105-1109Article in journal (Refereed)
    Abstract [en]

    A Ronchi interferometer for hard X-rays is reported in order to characterize the performance of the nanofocusing optics as well as the beamline stability. Characteristic interference fringes yield qualitative data on present aberrations in the optics. Moreover, the visibility of the fringes on the detector gives information on the degree of spatial coherence in the beamline. This enables the possibility to detect sources of instabilities in the beamline like vibrations of components or temperature drift. Examples are shown for two different nanofocusing hard X-ray optics: a compound refractive lens and a zone plate.

  • 33.
    Urpelainen, Samuli
    et al.
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Sathe, Conny
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Grizolli, Walan
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Agåker, Marcus
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Head, Ashley R.
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Andersson, Margit
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Huang, Shih-Wen
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Jensen, Brian N.
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Wallen, Erik
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA..
    Tarawneh, Hamed
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Sankari, Rami
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Nyholm, Ralf
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Lindberg, Mirjam
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Sjoblom, Peter
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Johansson, Niclas
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Reinecke, Benjamin N.
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Arman, M. Alif
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Merte, Lindsay R.
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Knudsen, Jan
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Schnadt, Joachim
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Andersen, Jesper N.
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Hennies, Franz
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    The SPECIES beamline at the MAX IV Laboratory: a facility for soft X-ray RIXS and APXPS2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 344-353Article in journal (Refereed)
    Abstract [en]

    SPECIES is an undulator-based soft X-ray beamline that replaced the old I511 beamline at the MAX II storage ring. SPECIES is aimed at high-resolution ambient-pressure X-ray photoelectron spectroscopy (APXPS), near-edge X-ray absorption fine-structure (NEXAFS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) experiments. The beamline has two branches that use a common elliptically polarizing undulator and monochromator. The beam is switched between the two branches by changing the focusing optics after the monochromator. Both branches have separate exit slits, refocusing optics and dedicated permanent endstations. This allows very fast switching between two types of experiments and offers a unique combination of the surface-sensitive XPS and bulk-sensitive RIXS techniques both in UHV- and at elevated ambient-pressure conditions on a single beamline. Another unique property of the beamline is that it reaches energies down to approximately 27 eV, which is not obtainable on other current APXPS beamlines. This allows, for instance, valence band studies under ambient-pressure conditions. In this article the main properties and performance of the beamline are presented, together with selected showcase experiments performed on the new setup.

  • 34. Wieland, D. C. F.
    et al.
    Garamus, V. M.
    Zander, T.
    Krywka, C.
    Wang, M.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. SP Tech Res Inst Sweden, Sweden.
    Dedinaite, Andra
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. SP Tech Res Inst Sweden, Sweden.
    Claesson, Per M.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. SP Tech Res Inst Sweden, Sweden.
    Willumeit-Roemer, R.
    Studying solutions at high shear rates: a dedicated microfluidics setup2016In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 23, p. 480-486Article in journal (Refereed)
    Abstract [en]

    The development of a dedicated small-angle X-ray scattering setup for the investigation of complex fluids at different controlled shear conditions is reported. The setup utilizes a microfluidics chip with a narrowing channel. As a consequence, a shear gradient is generated within the channel and the effect of shear rate on structure and interactions is mapped spatially. In a first experiment small-angle X-ray scattering is utilized to investigate highly concentrated protein solutions up to a shear rate of 300000 s(-1). These data demonstrate that equilibrium clusters of lysozyme are destabilized at high shear rates.

  • 35.
    Wieland, D. C. F.
    et al.
    Institute for Materials Research, Germany; EMBL Hamburg, Germany.
    Zander, T.
    Institute for Materials Research, Germany.
    Garamus, V. M.
    Institute for Materials Research, Germany.
    Krywka, C.
    Institute for Materials Research, Germany.
    Dedinaite, A.
    RISE - Research Institutes of Sweden, Bioscience and Materials, Chemistry and Materials. KTH Royal Institute of Technology, Sweden .
    Claesson, P.
    RISE - Research Institutes of Sweden, Bioscience and Materials, Chemistry and Materials. KTH Royal Institute of Technology, Sweden.
    Willumeit-Römer, R.
    Institute for Materials Research, Germany.
    Complex solutions under shear and pressure: A rheometer setup for X-ray scattering experiments2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 646-652Article in journal (Refereed)
    Abstract [en]

    A newly developed high-pressure rheometer for in situ X-ray scattering experiments is described. A commercial rheometer was modified in such a way that X-ray scattering experiments can be performed under different pressures and shear. First experiments were carried out on hyaluronan, a ubiquitous biopolymer that is important for different functions in the body such as articular joint lubrication. The data hint at a decreased electrostatic interaction at higher pressure, presumably due to the increase of the dielectric constant of water by 3% and the decrease of the free volume at 300 bar.

  • 36. Wieland, D. C. F.
    et al.
    Zander, T.
    Garamus, V. M.
    Krywka, C.
    Dédinaité, Andra
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Claesson, Per M.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Willumeit-Roemer, R.
    Complex solutions under shear and pressure: a rheometer setup for X-ray scattering experiments2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 646-652Article in journal (Refereed)
    Abstract [en]

    A newly developed high-pressure rheometer for in situ X-ray scattering experiments is described. A commercial rheometer was modified in such a way that X-ray scattering experiments can be performed under different pressures and shear. First experiments were carried out on hyaluronan, a ubiquitous biopolymer that is important for different functions in the body such as articular joint lubrication. The data hint at a decreased electrostatic interaction at higher pressure, presumably due to the increase of the dielectric constant of water by 3% and the decrease of the free volume at 300bar.

  • 37.
    Wieland, D. C. Florian
    et al.
    Helmholtz-Zentrum Geestacht, Germany.
    Garamus, Vasil M.
    Helmholtz-Zentrum Geestacht, Germany.
    Zander, Thomas
    Helmholtz-Zentrum Geestacht, Germany.
    Krywka, C.
    Helmholtz-Zentrum Geestacht, Germany.
    Wang, M.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor. KTH Royal Institute of Technology, Sweden.
    Dédinaité, Andra A.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Life Science. KTH Royal Institute of Technology, Sweden.
    Claesson, Per M.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik. KTH Royal Institute of Technology, Sweden.
    Willumeit-Römera, Regine
    Helmholtz-Zentrum Geestacht, Germany.
    Studying solutions at high shear rates: A dedicated microfluidics setup2016In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 23, no 2, p. 480-486Article in journal (Refereed)
    Abstract [en]

    The development of a dedicated small-angle X-ray scattering setup for the investigation of complex fluids at different controlled shear conditions is reported. The setup utilizes a microfluidics chip with a narrowing channel. As a consequence, a shear gradient is generated within the channel and the effect of shear rate on structure and interactions is mapped spatially. In a first experiment small-angle X-ray scattering is utilized to investigate highly concentrated protein solutions up to a shear rate of 300000 s-1. These data demonstrate that equilibrium clusters of lysozyme are destabilized at high shear rates.

  • 38.
    Wojtaszek, Klaudia
    et al.
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Wach, Anna
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Czapla-Masztafiak, Joanna
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Tyrala, Krzysztof
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Özer, Luetfiye Yildiz
    Khalifa Univ Sci & Technol, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Garlisi, Corrado
    Khalifa Univ Sci & Technol, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Palmisano, Giovanni
    Khalifa Univ Sci & Technol, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Szlachetko, Jakub
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    The influence of nitrogen doping on the electronic structure of the valence and conduction band in TiO22019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 145-151Article in journal (Refereed)
    Abstract [en]

    X-ray emission spectroscopy (XES) and X-ray absorption spectroscopy (XAS) provide a unique opportunity to probe both the highest occupied and the lowest unoccupied states in matter with bulk sensitivity. In this work, a combination of valence-to-core XES and pre-edge XAS techniques are used to determine changes induced in the electronic structure of titanium dioxide doped with nitrogen atoms. Based on the experimental data it is shown that N-doping leads to incorporation of the p-states on the occupied electronic site. For the conduction band, a decrease in population of the lowest unoccupied d-localized orbitals with respect to the d-delocalized orbitals is observed. As confirmed by theoretical calculations, the N p-states in TiO2 structure are characterized by higher binding energy than the O p-states which gives a smaller value of the band-gap energy for the doped material.

  • 39.
    Wunderer, C. B.
    et al.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Allahgholi, A.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Bayer, M.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Bianco, L.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Correa, J.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Delfs, A.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Gottlicher, P.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Hirsemann, H.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Jack, S.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Klyuev, A.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Lange, S.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Marras, A.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Niemann, M.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Pithan, F.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Reza, Salim
    Mid Sweden University, Faculty of Science, Technology and Media, Department of Electronics Design. DESY, Notkestrasse 85, Hamburg, Germany .
    Sheviakov, I.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Smoljanin, S.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Tennert, M.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Trunk, U.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Xia, Q.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Zhang, J.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Zimmer, M.
    DESY, Notkestrasse 85, Hamburg, Germany .
    Das, D.
    STFC, Harwell, Oxford, Didcot, United Kingdom.
    Guerrini, N.
    STFC, Harwell, Oxford, Didcot, United Kingdom.
    Marsh, B.
    STFC, Harwell, Oxford, Didcot, United Kingdom.
    Sedgwick, I.
    STFC, Harwell, Oxford, Didcot, United Kingdom.
    Turchetta, R.
    STFC, Harwell, Oxford, Didcot, United Kingdom.
    Cautero, G.
    Elettra Sincrotrone Trieste, Basovizza, Italy.
    Giuressi, D.
    Elettra Sincrotrone Trieste, Basovizza, Italy.
    Menk, R.
    Elettra Sincrotrone Trieste, Basovizza, Italy.
    Khromova, A.
    Elettra Sincrotrone Trieste, Basovizza, Italy.
    Pinaroli, G.
    Elettra Sincrotrone Trieste, Basovizza, Italy.
    Stebel, L.
    Elettra Sincrotrone Trieste, Basovizza, Italy.
    Marchal, J.
    Diamond, Harwell Campus, Didcot, United Kingdom.
    Pedersen, U.
    Diamond, Harwell Campus, Didcot, United Kingdom.
    Rees, N.
    Diamond, Harwell Campus, Didcot, United Kingdom.
    Steadman, P.
    Diamond, Harwell Campus, Didcot, United Kingdom.
    Sussmuth, M.
    Diamond, Harwell Campus, Didcot, United Kingdom.
    Tartoni, N.
    Diamond, Harwell Campus, Didcot, United Kingdom.
    Yousef, H.
    Diamond, Harwell Campus, Didcot, United Kingdom.
    Hyun, H.
    Pohang Accelerator Laboratory, Pohang, Gyeongbuk, South Korea.
    Kim, K.
    Pohang Accelerator Laboratory, Pohang, Gyeongbuk, South Korea.
    Rah, S.
    Pohang Accelerator Laboratory, Pohang, Gyeongbuk, South Korea.
    Dinapoli, R.
    PSI, Villingen, Switzerland.
    Greiffenberg, D.
    PSI, Villingen, Switzerland.
    Mezza, D.
    PSI, Villingen, Switzerland.
    Mozzanica, A.
    PSI, Villingen, Switzerland.
    Schmitt, B.
    PSI, Villingen, Switzerland.
    Shi, X.
    PSI, Villingen, Switzerland.
    Krueger, H.
    University of Bonn, Regina-Pacis-Weg 3, Bonn, Germany .
    Klanner, R.
    University of Hamburg, Luruper Chaussee 149, Hamburg, Germany .
    Schwandt, J.
    University of Hamburg, Luruper Chaussee 149, Hamburg, Germany .
    Graafsma, Heinz
    Mid Sweden University, Faculty of Science, Technology and Media, Department of Electronics Design. DESY, Notkestrasse 85, Hamburg, Germany .
    Detector developments at DESY2016In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 23, p. 111-117Article in journal (Refereed)
    Abstract [en]

    With the increased brilliance of state-of-the-art synchrotron radiation sources and the advent of free-electron lasers (FELs) enabling revolutionary science with EUV to X-ray photons comes an urgent need for suitable photon imaging detectors. Requirements include high frame rates, very large dynamic range, single-photon sensitivity with low probability of false positives and (multi)-megapixels. At DESY, one ongoing development project-in collaboration with RAL/STFC, Elettra Sincrotrone Trieste, Diamond, and Pohang Accelerator Laboratory-is the CMOS-based soft X-ray imager PERCIVAL. PERCIVAL is a monolithic active-pixel sensor back-thinned to access its primary energy range of 250 eV to 1 keV with target efficiencies above 90%. According to preliminary specifications, the roughly 10 cm × 10 cm, 3.5k × 3.7k monolithic sensor will operate at frame rates up to 120 Hz (commensurate with most FELs) and use multiple gains within 27 μm pixels to measure 1 to ∼ 100000 (500 eV) simultaneously arriving photons. DESY is also leading the development of the AGIPD, a high-speed detector based on hybrid pixel technology intended for use at the European XFEL. This system is being developed in collaboration with PSI, University of Hamburg, and University of Bonn. The AGIPD allows singlepulse imaging at 4.5 MHz frame rate into a 352-frame buffer, with a dynamic range allowing single-photon detection and detection of more than 10000 photons at 12.4 keV in the same image. Modules of 65k pixels each are configured to make up (multi)megapixel cameras. This review describes the AGIPD and the PERCIVAL concepts and systems, including some recent results and a summary of their current status. It also gives a short overview over other FEL-relevant developments where the Photon Science Detector Group at DESY is involved. © 2016 International Union of Crystallography.

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