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518 results on '"Sikorski, M."'

1. 3D atomic structure from a single XFEL pulse

Author

Bortel, G., Tegze, M., Sikorski, M., Bean, R., Bielecki, J., Kim, C., Koliyadu, J., Koua, F., Ramilli, M., Round, A., Sato, T., Zabelskii, D., and Faigel, G.

Subjects
Condensed Matter - Materials Science
Abstract

X-ray Free Electron Lasers (XFEL) are the most advanced pulsed x-ray sources. Their extraordinary pulse parameters promise unique applications. Indeed, several new methods have been developed at XFEL-s. However, no methods are known, which would allow ab initio atomic level structure determination using only a single XFEL pulse. Here, we present experimental results, demonstrating the determination of the 3D atomic structure from data obtained during a single 25 fs XFEL pulse. Parallel measurement of hundreds of Bragg reflections was done by collecting Kossel line patterns of GaAs and GaP. With these measurements, we reached the ultimate temporal limit of the x-ray structure solution possible today. These measurements open the way for studying non-repeatable fast processes and structural transformations in crystals for example measuring the atomic structure of matter at extremely non-ambient conditions or transient structures formed in irreversible physical, chemical, or biological processes. It would also facilitate time resolved pump-probe structural studies making them significantly shorter than traditional serial crystallography., Comment: 16 pages of manuscript followed by 15 pages of supplementary information

Published
2023

2. Megahertz single-particle imaging at the European XFEL

Author

Sobolev, E, Zolotarev, S, Giewekemeyer, K, Bielecki, J, Okamoto, K, Reddy, HKN, Andreasson, J, Ayyer, K, Barak, I, Bari, S, Barty, A, Bean, R, Bobkov, S, Chapman, HN, Chojnowski, G, Daurer, BJ, Dörner, K, Ekeberg, T, Flückiger, L, Galzitskaya, O, Gelisio, L, Hauf, S, Hogue, BG, Horke, DA, Hosseinizadeh, A, Ilyin, V, Jung, C, Kim, C, Kim, Y, Kirian, RA, Kirkwood, H, Kulyk, O, Küpper, J, Letrun, R, Loh, ND, Lorenzen, K, Messerschmidt, M, Mühlig, K, Ourmazd, A, Raab, N, Rode, AV, Rose, M, Round, A, Sato, T, Schubert, R, Schwander, P, Sellberg, JA, Sikorski, M, Silenzi, A, Song, C, Spence, JCH, Stern, S, Sztuk-Dambietz, J, Teslyuk, A, Timneanu, N, Trebbin, M, Uetrecht, C, Weinhausen, B, Williams, GJ, Xavier, PL, Xu, C, Vartanyants, IA, Lamzin, VS, Mancuso, A, and Maia, FRNC

Abstract

The emergence of high repetition-rate X-ray free-electron lasers (XFELs) powered by superconducting accelerator technology enables the measurement of significantly more experimental data per day than was previously possible. The European XFEL is expected to provide 27,000 pulses per second, over two orders of magnitude more than any other XFEL. The increased pulse rate is a key enabling factor for single-particle X-ray diffractive imaging, which relies on averaging the weak diffraction signal from single biological particles. Taking full advantage of this new capability requires that all experimental steps, from sample preparation and delivery to the acquisition of diffraction patterns, are compatible with the increased pulse repetition rate. Here, we show that single-particle imaging can be performed using X-ray pulses at megahertz repetition rates. The results obtained pave the way towards exploiting high repetition-rate X-ray free-electron lasers for single-particle imaging at their full repetition rate.

Published
2020

3. Disentangling charge and structural contributions during coherent atomic motions studied by ultrafast resonant x-ray diffraction

Author

Rettig, L., Caviezel, A., Mariager, S. O., Ingold, G., Dornes, C., Huang, S-W., Johnson, J. A., Radovic, M., Huber, T., Kubacka, T., Ferrer, A., Lemke, H. T., Chollet, M., Zhu, D., Glownia, J. M., Sikorski, M., Robert, A., Nakamura, M., Kawasaki, M., Tokura, Y., Johnson, S. L., Beaud, P., and Staub, U.

Subjects
Condensed Matter - Strongly Correlated Electrons
Abstract

We report on the ultrafast dynamics of charge order and structural response during the photoinduced suppression of charge and orbital order in a mixed-valence manganite. Employing femtosecond time-resolved resonant x-ray diffraction below and at the Mn K absorption edge, we present a method to disentangle the transient charge order and structural dynamics in thin films of Pr0.5Ca0.5MnO3. Based on the static resonant scattering spectra, we extract the dispersion correction of charge ordered Mn3+ and Mn4+ ions, allowing us to separate the transient contributions of purely charge order from structural contributions to the scattering amplitude after optical excitation. Our finding of a coherent structural mode at around 2.3 THz, which primarily modulates the lattice, but does not strongly affect the charge order, confirms the picture of the charge order being the driving force of the combined charge, orbital and structural transition.

Published
2018
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4. Femtosecond phase-transition in hard x-ray excited bismuth

Author

Makita, M., Vartiainen, I., Mohacs, I., Caleman, C., Diaz, A., Jönsson, H. O., Juranić, P., Medvedev, N., Meents, A., Mozzanica, A., Opara, N., Padeste, C., Panneels, V., Saxena, V., Sikorski, M., Song, S., Vera, L., Willmott, P. R., Beaud, P., Milne, C. J., Ziaja-Motyka, B., and David, C.

Subjects
Condensed Matter - Materials Science
Abstract

The evolution of the bismuth crystal structure upon excitation of its A$_{1g}$ phonon has been intensely studied with short pulse optical lasers. Here we present the first-time observation of a hard x-ray induced ultrafast phase transition in a bismuth single crystal, at high intensities (~$10^{14}$ W/cm$^2$). The lattice evolution was followed using a recently demonstrated x-ray single-shot probing setup. The time evolution of the (111) Bragg peak intensity showed strong dependence on the excitation fluence. After exposure to a sufficiently intense x-ray pulse, the peak intensity dropped to zero within 300fs, i.e. faster than one oscillation period of the A1g mode at room temperature. Our analysis indicates a nonthermal origin of a lattice disordering process, and excludes interpretations based on electron-ion equilibration process, or on thermodynamic heating process leading to a plasma formation., Comment: Main text 10 pages, 3 figures. Appendix 3 pages, 2 figures

Published
2018

5. Diffraction based Hanbury Brown and Twiss interferometry performed at a hard x-ray free-electron laser

Author

Gorobtsov, O. Yu., Mukharamova, N., Lazarev, S., Chollet, M., Zhu, D., Feng, Y., Kurta, R. P., Meijer, J. -M., Williams, G., Sikorski, M., Song, S., Dzhigaev, D., Serkez, S., Singer, A., Petukhov, A. V., and Vartanyants, I. A.

Subjects
Physics - Optics
Abstract

We demonstrate experimentally Hanbury Brown and Twiss (HBT) interferometry at a hard X-ray Free Electron Laser (XFEL) on a sample diffraction patterns. This is different from the traditional approach when HBT interferometry requires direct beam measurements in absence of the sample. HBT analysis was carried out on the Bragg peaks from the colloidal crystals measured at Linac Coherent Light Source (LCLS). We observed high degree (80%) spatial coherence of the full beam and the pulse duration of the monochromatized beam on the order of 11 fs that is significantly shorter than expected from the electron bunch measurements., Comment: 32 pages, 10 figures, 2 tables

Published
2017

6. Ultrafast energy and momentum resolved dynamics of magnetic correlations in photo-doped Mott insulator Sr$_2$IrO$_4$

Author

Dean, M. P. M., Cao, Yue, Liu, X., Wall, S., Zhu, D., Mankowsky, R., Thampy, V., Chen, X. M., Vale, J. G., Casa, D., Kim, Jungho, Said, A. H., Juhas, P., Alonso-Mori, R., Glownia, J. M., Robert, A., Robinson, J., Sikorski, M., Song, S., Kozina, M., Lemke, H., Patthey, L., Owada, S., Katayama, T., Yabashi, M., Tanaka, Yoshikazu, Togashi, T., Liu, Jian, Serrao, C. Rayan, Kim, B. J., Huber, L., Chang, C. -L., McMorrow, D. F., Forst, M., and Hill, J. P.

Subjects
Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Materials Science, Condensed Matter - Superconductivity
Abstract

Measuring how the magnetic correlations throughout the Brillouin zone evolve in a Mott insulator as charges are introduced dramatically improved our understanding of the pseudogap, non-Fermi liquids and high $T_C$ superconductivity. Recently, photoexcitation has been used to induce similarly exotic states transiently. However, understanding how these states emerge has been limited because of a lack of available probes of magnetic correlations in the time domain, which hinders further investigation of how light can be used to control the properties of solids. Here we implement magnetic resonant inelastic X-ray scattering at a free electron laser, and directly determine the magnetization dynamics after photo-doping the Mott insulator Sr$_2$IrO$_4$. We find that the non-equilibrium state 2~ps after the excitation has strongly suppressed long-range magnetic order, but hosts photo-carriers that induce strong, non-thermal magnetic correlations. The magnetism recovers its two-dimensional (2D) in-plane N\'eel correlations on a timescale of a few ps, while the three-dimensional (3D) long-range magnetic order restores over a far longer, fluence-dependent timescale of a few hundred ps. The dramatic difference in these two timescales, implies that characterizing the dimensionality of magnetic correlations will be vital in our efforts to understand ultrafast magnetic dynamics., Comment: 7 page, 4 figures; to appear in Nature Materials

Published
2016
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7. Nanosecond X-Ray Photon Correlation Spectroscopy on Magnetic Skyrmions

Author

Seaberg, MH, Holladay, B, Lee, JCT, Sikorski, M, Reid, AH, Montoya, SA, Dakovski, GL, Koralek, JD, Coslovich, G, Moeller, S, Schlotter, WF, Streubel, R, Kevan, SD, Fischer, P, Fullerton, EE, Turner, JL, Decker, F-J, Sinha, SK, Roy, S, and Turner, JJ

Subjects
Physical Sciences, Condensed Matter Physics, Mathematical Sciences, Engineering, General Physics, Mathematical sciences, Physical sciences
Abstract

We report an x-ray photon correlation spectroscopy method that exploits the recent development of the two-pulse mode at the Linac Coherent Light Source. By using coherent resonant x-ray magnetic scattering, we studied spontaneous fluctuations on nanosecond time scales in thin films of multilayered Fe/Gd that exhibit ordered stripe and Skyrmion lattice phases. The correlation time of the fluctuations was found to differ between the Skyrmion phase and near the stripe-Skyrmion boundary. This technique will enable a significant new area of research on the study of equilibrium fluctuations in condensed matter.

Published
2017

8. Operational experience with Adaptive Gain Integrating Pixel Detectors at European XFEL

Author

Sztuk-Dambietz, J., Rovensky, V., Klujev, A., Laurus, T., Trunk, U., Ahmed, K., Meyer, O., Möller, J., Parenti, A., Raab, N., Shayduk, R., Sikorski, M., Ansaldi, G., Bösenberg, U., Luis, L. M., Muenich, A., Preston, T. R., Schmidt, P., Stern, S., Bean, R., Madsen, A., Gelisio, L., Hauf, S., Gessler, P., Wrona, K., Graafsma, Heinz, Turcato, M., Sztuk-Dambietz, J., Rovensky, V., Klujev, A., Laurus, T., Trunk, U., Ahmed, K., Meyer, O., Möller, J., Parenti, A., Raab, N., Shayduk, R., Sikorski, M., Ansaldi, G., Bösenberg, U., Luis, L. M., Muenich, A., Preston, T. R., Schmidt, P., Stern, S., Bean, R., Madsen, A., Gelisio, L., Hauf, S., Gessler, P., Wrona, K., Graafsma, Heinz, and Turcato, M.

Abstract

The European X-ray Free Electron Laser (European XFEL) is a cutting-edge user facility that generates per second up to 27,000 ultra-short, spatially coherent X-ray pulses within an energy range of 0.26 to more than 20 keV. Specialized instrumentation, including various 2D X-ray detectors capable of handling the unique time structure of the beam, is required. The one-megapixel AGIPD (AGIPD1M) detectors, developed for the European XFEL by the AGIPD Consortium, are the primary detectors used for user experiments at the SPB/SFX and MID instruments. The first AGIPD1M detector was installed at SPB/SFX when the facility began operation in 2017, and the second one was installed at MID in November 2018. The AGIPD detector systems require a dedicated infrastructure, well-defined safety systems, and high-level control procedures to ensure stable and safe operation. As of now, the AGIPD1M detectors installed at the SPB/SFX and MID experimental end stations are fully integrated into the European XFEL environment, including mechanical integration, vacuum, power, control, data acquisition, and data processing systems. Specific high-level procedures allow facilitated detector control, and dedicated interlock systems based on Programmable Logic Controllers ensure detector safety in case of power, vacuum, or cooling failure. The first 6 years of operation have clearly demonstrated that the AGIPD1M detectors provide high-quality scientific results. The collected data, along with additional dedicated studies, have also enabled the identification and quantification of issues related to detector performance, ensuring stable operation. Characterization and calibration of detectors are among the most critical and challenging aspects of operation due to their complex nature. A methodology has been developed to enable detector characterization and data correction, both in near real-time (online) and offline mode. The calibration process optimizes detector performance and ensures the highest

Published
2024
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9. Itinerant and localized magnetization dynamics in antiferromagnetic Ho

Author

Rettig, L., Dornes, C., Thielemann-Kuehn, N., Pontius, N., Zabel, H., Schlagel, D. L., Lograsso, T. A., Chollet, M., Robert, A., Sikorski, M., Song, S., Glownia, J. M., Schuessler-Langeheine, C., Johnson, S. L., and Staub, U.

Subjects
Condensed Matter - Strongly Correlated Electrons
Abstract

Using femtosecond time-resolved resonant magnetic x-ray diffraction at the Ho L3 absorption edge, we investigate the demagnetization dynamics in antiferromagnetically ordered metallic Ho after femtosecond optical excitation. Tuning the x-ray energy to the electric dipole (E1, 2p -> 5d) or quadrupole (E2, 2p -> 4f) transition allows us to selectively and independently study the spin dynamics of the itinerant 5d and localized 4f electronic subsystems via the suppression of the magnetic (2 1 3-tau ) satellite peak. We find demagnetization timescales very similar to ferromagnetic 4f systems, suggesting that the loss of magnetic order occurs via a similar spin-flip process in both cases. The simultaneous demagnetization of both subsystems demonstrates strong intra-atomic 4f-5d exchange coupling. In addition, an ultrafast lattice contraction due to the release of magnetostriction leads to a transient shift of the magnetic satellite peak.

Published
2015
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10. Three-Dimensional Charge Density Wave Order in YBa2Cu3O6.67 at High Magnetic Fields

Author

Gerber, S., Jang, H., Nojiri, H., Matsuzawa, S., Yasumura, H., Bonn, D. A., Liang, R., Hardy, W. N., Islam, Z., Mehta, A., Song, S., Sikorski, M., Stefanescu, D., Feng, Y., Kivelson, S. A., Devereaux, T. P., Shen, Z. -X., Kao, C. -C., Lee, W. -S., Zhu, D., and Lee, J. -S.

Subjects
Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Superconductivity
Abstract

Charge density wave (CDW) correlations have recently been shown to universally exist in cuprate superconductors. However, their nature at high fields inferred from nuclear magnetic resonance is distinct from that measured by x-ray scattering at zero and low fields. Here we combine a pulsed magnet with an x-ray free electron laser to characterize the CDW in YBa2Cu3O6.67 via x-ray scattering in fields up to 28 Tesla. While the zero-field CDW order, which develops below T ~ 150 K, is essentially two-dimensional, at lower temperature and beyond 15 Tesla, another three-dimensionally ordered CDW emerges. The field-induced CDW onsets around the zero-field superconducting transition temperature, yet the incommensurate in-plane ordering vector is field-independent. This implies that the two forms of CDW and high-temperature superconductivity are intimately linked.

Published
2015
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11. All-diamond optical assemblies for a beam-multiplexing X-ray monochromator at the Linac Coherent Light Source

Author

Stoupin, S., Terentyev, S. A., Blank, V. D., Shvyd'ko, Yu. V., Goetze, K., Assoufid, L., Polyakov, S. N., Kuznetsov, M. S., Kornilov, N. V., Katsoudas, J., Alonso-Mori, R., Chollet, M., Feng, Y., Glownia, J. M., Lemke, H., Robert, A., Song, S., Sikorski, M., and Zhu, D.

Subjects
Physics - Optics, Condensed Matter - Materials Science
Abstract

A double-crystal diamond (111) monochromator recently implemented at the Linac Coherent Light Source (LCLS) enables splitting of the primary X-ray beam into a pink (transmitted) and a monochromatic (reflected) branch. The first monochromator crystal with a thickness of 100 um provides sufficient X-ray transmittance to enable simultaneous operation of two beamlines. Here we report on the design, fabrication, and X-ray characterization of the first and second (300-um-thick) crystals utilized in the monochromator and the optical assemblies holding these crystals. Each crystal plate has a region of about 5 X 2 mm2 with low defect concentration, sufficient for use in X-ray optics at the LCLS. The optical assemblies holding the crystals were designed to provide mounting on a rigid substrate and to minimize mounting-induced crystal strain. The induced strain was evaluated using double-crystal X-ray topography and was found to be small over the 5 X 2 mm2 working regions of the crystals.

Published
2014

12. A MHz-repetition-rate hard X-ray free-electron laser driven by a superconducting linear accelerator

Author

Decking, W., Abeghyan, S., Abramian, P., Abramsky, A., Aguirre, A., Albrecht, C., Alou, P., Altarelli, M., Altmann, P., Amyan, K., Anashin, V., Apostolov, E., Appel, K., Auguste, D., Ayvazyan, V., Baark, S., Babies, F., Baboi, N., Bak, P., Balandin, V., Baldinger, R., Baranasic, B., Barbanotti, S., Belikov, O., Belokurov, V., Belova, L., Belyakov, V., Berry, S., Bertucci, M., Beutner, B., Block, A., Blöcher, M., Böckmann, T., Bohm, C., Böhnert, M., Bondar, V., Bondarchuk, E., Bonezzi, M., Borowiec, P., Bösch, C., Bösenberg, U., Bosotti, A., Böspflug, R., Bousonville, M., Boyd, E., Bozhko, Y., Brand, A., Branlard, J., Briechle, S., Brinker, F., Brinker, S., Brinkmann, R., Brockhauser, S., Brovko, O., Brück, H., Brüdgam, A., Butkowski, L., Büttner, T., Calero, J., Castro-Carballo, E., Cattalanotto, G., Charrier, J., Chen, J., Cherepenko, A., Cheskidov, V., Chiodini, M., Chong, A., Choroba, S., Chorowski, M., Churanov, D., Cichalewski, W., Clausen, M., Clement, W., Cloué, C., Cobos, J. A., Coppola, N., Cunis, S., Czuba, K., Czwalinna, M., D’Almagne, B., Dammann, J., Danared, H., de Zubiaurre Wagner, A., Delfs, A., Delfs, T., Dietrich, F., Dietrich, T., Dohlus, M., Dommach, M., Donat, A., Dong, X., Doynikov, N., Dressel, M., Duda, M., Duda, P., Eckoldt, H., Ehsan, W., Eidam, J., Eints, F., Engling, C., Englisch, U., Ermakov, A., Escherich, K., Eschke, J., Saldin, E., Faesing, M., Fallou, A., Felber, M., Fenner, M., Fernandes, B., Fernández, J. M., Feuker, S., Filippakopoulos, K., Floettmann, K., Fogel, V., Fontaine, M., Francés, A., Martin, I. Freijo, Freund, W., Freyermuth, T., Friedland, M., Fröhlich, L., Fusetti, M., Fydrych, J., Gallas, A., García, O., Garcia-Tabares, L., Geloni, G., Gerasimova, N., Gerth, C., Geßler, P., Gharibyan, V., Gloor, M., Głowinkowski, J., Goessel, A., Gołębiewski, Z., Golubeva, N., Grabowski, W., Graeff, W., Grebentsov, A., Grecki, M., Grevsmuehl, T., Gross, M., Grosse-Wortmann, U., Grünert, J., Grunewald, S., Grzegory, P., Feng, G., Guler, H., Gusev, G., Gutierrez, J. L., Hagge, L., Hamberg, M., Hanneken, R., Harms, E., Hartl, I., Hauberg, A., Hauf, S., Hauschildt, J., Hauser, J., Havlicek, J., Hedqvist, A., Heidbrook, N., Hellberg, F., Henning, D., Hensler, O., Hermann, T., Hidvégi, A., Hierholzer, M., Hintz, H., Hoffmann, F., Hoffmann, Markus, Hoffmann, Matthias, Holler, Y., Hüning, M., Ignatenko, A., Ilchen, M., Iluk, A., Iversen, J., Iversen, J., Izquierdo, M., Jachmann, L., Jardon, N., Jastrow, U., Jensch, K., Jensen, J., Jeżabek, M., Jidda, M., Jin, H., Johansson, N., Jonas, R., Kaabi, W., Kaefer, D., Kammering, R., Kapitza, H., Karabekyan, S., Karstensen, S., Kasprzak, K., Katalev, V., Keese, D., Keil, B., Kholopov, M., Killenberger, M., Kitaev, B., Klimchenko, Y., Klos, R., Knebel, L., Koch, A., Koepke, M., Köhler, S., Köhler, W., Kohlstrunk, N., Konopkova, Z., Konstantinov, A., Kook, W., Koprek, W., Körfer, M., Korth, O., Kosarev, A., Kosiński, K., Kostin, D., Kot, Y., Kotarba, A., Kozak, T., Kozak, V., Kramert, R., Krasilnikov, M., Krasnov, A., Krause, B., Kravchuk, L., Krebs, O., Kretschmer, R., Kreutzkamp, J., Kröplin, O., Krzysik, K., Kube, G., Kuehn, H., Kujala, N., Kulikov, V., Kuzminych, V., La Civita, D., Lacroix, M., Lamb, T., Lancetov, A., Larsson, M., Le Pinvidic, D., Lederer, S., Lensch, T., Lenz, D., Leuschner, A., Levenhagen, F., Li, Y., Liebing, J., Lilje, L., Limberg, T., Lipka, D., List, B., Liu, J., Liu, S., Lorbeer, B., Lorkiewicz, J., Lu, H. H., Ludwig, F., Machau, K., Maciocha, W., Madec, C., Magueur, C., Maiano, C., Maksimova, I., Malcher, K., Maltezopoulos, T., Mamoshkina, E., Manschwetus, B., Marcellini, F., Marinkovic, G., Martinez, T., Martirosyan, H., Maschmann, W., Maslov, M., Matheisen, A., Mavric, U., Meißner, J., Meissner, K., Messerschmidt, M., Meyners, N., Michalski, G., Michelato, P., Mildner, N., Moe, M., Moglia, F., Mohr, C., Mohr, S., Möller, W., Mommerz, M., Monaco, L., Montiel, C., Moretti, M., Morozov, I., Morozov, P., Mross, D., Mueller, J., Müller, C., Müller, J., Müller, K., Munilla, J., Münnich, A., Muratov, V., Napoly, O., Näser, B., Nefedov, N., Neumann, Reinhard, Neumann, Rudolf, Ngada, N., Noelle, D., Obier, F., Okunev, I., Oliver, J. A., Omet, M., Oppelt, A., Ottmar, A., Oublaid, M., Pagani, C., Paparella, R., Paramonov, V., Peitzmann, C., Penning, J., Perus, A., Peters, F., Petersen, B., Petrov, A., Petrov, I., Pfeiffer, S., Pflüger, J., Philipp, S., Pienaud, Y., Pierini, P., Pivovarov, S., Planas, M., Pławski, E., Pohl, M., Polinski, J., Popov, V., Prat, S., Prenting, J., Priebe, G., Pryschelski, H., Przygoda, K., Pyata, E., Racky, B., Rathjen, A., Ratuschni, W., Regnaud-Campderros, S., Rehlich, K., Reschke, D., Robson, C., Roever, J., Roggli, M., Rothenburg, J., Rusiński, E., Rybaniec, R., Sahling, H., Salmani, M., Samoylova, L., Sanzone, D., Saretzki, F., Sawlanski, O., Schaffran, J., Schlarb, H., Schlösser, M., Schlott, V., Schmidt, C., Schmidt-Foehre, F., Schmitz, M., Schmökel, M., Schnautz, T., Schneidmiller, E., Scholz, M., Schöneburg, B., Schultze, J., Schulz, C., Schwarz, A., Sekutowicz, J., Sellmann, D., Semenov, E., Serkez, S., Sertore, D., Shehzad, N., Shemarykin, P., Shi, L., Sienkiewicz, M., Sikora, D., Sikorski, M., Silenzi, A., Simon, C., Singer, W., Singer, X., Sinn, H., Sinram, K., Skvorodnev, N., Smirnow, P., Sommer, T., Sorokin, A., Stadler, M., Steckel, M., Steffen, B., Steinhau-Kühl, N., Stephan, F., Stodulski, M., Stolper, M., Sulimov, A., Susen, R., Świerblewski, J., Sydlo, C., Syresin, E., Sytchev, V., Szuba, J., Tesch, N., Thie, J., Thiebault, A., Tiedtke, K., Tischhauser, D., Tolkiehn, J., Tomin, S., Tonisch, F., Toral, F., Torbin, I., Trapp, A., Treyer, D., Trowitzsch, G., Trublet, T., Tschentscher, T., Ullrich, F., Vannoni, M., Varela, P., Varghese, G., Vashchenko, G., Vasic, M., Vazquez-Velez, C., Verguet, A., Vilcins-Czvitkovits, S., Villanueva, R., Visentin, B., Viti, M., Vogel, E., Volobuev, E., Wagner, R., Walker, N., Wamsat, T., Weddig, H., Weichert, G., Weise, H., Wenndorf, R., Werner, M., Wichmann, R., Wiebers, C., Wiencek, M., Wilksen, T., Will, I., Winkelmann, L., Winkowski, M., Wittenburg, K., Witzig, A., Wlk, P., Wohlenberg, T., Wojciechowski, M., Wolff-Fabris, F., Wrochna, G., Wrona, K., Yakopov, M., Yang, B., Yang, F., Yurkov, M., Zagorodnov, I., Zalden, P., Zavadtsev, A., Zavadtsev, D., Zhirnov, A., Zhukov, A., Ziemann, V., Zolotov, A., Zolotukhina, N., Zummack, F., and Zybin, D.

Published
2020
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13. Femtosecond phase-transition in hard x-ray excited bismuth

Author

Makita, M., Vartiainen, I., Mohacsi, I., Caleman, C., Diaz, A., Jönsson, H. O., Juranić, P., Medvedev, N., Meents, A., Mozzanica, A., Opara, N. L., Padeste, C., Panneels, V., Saxena, V., Sikorski, M., Song, S., Vera, L., Willmott, P. R., Beaud, P., Milne, C. J., Ziaja-Motyka, B., and David, C.

Published
2019
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14. Five years operation experience with the AGIPD detectors at the European XFEL

Author

Klačková, I., Sztuk-Dambietz, J., Graafsma, Heinz, Hosseini-Saber, S. M. A., Klyuev, A., Laurus, T., Meyer, O., Preston, T., Raab, N., Shayduk, R., Sikorski, M., Stern, S., Strohm, C., Trunk, U., Turcato, M., Klačková, I., Sztuk-Dambietz, J., Graafsma, Heinz, Hosseini-Saber, S. M. A., Klyuev, A., Laurus, T., Meyer, O., Preston, T., Raab, N., Shayduk, R., Sikorski, M., Stern, S., Strohm, C., Trunk, U., and Turcato, M.

Abstract

The European X-ray Free Electron Laser (EuXFEL) began its user operation five years ago, opening and offering new research possibilities. The facility delivers high brilliance, ultra-short, spatially coherent X-ray pulses with a high repetition rate to six instruments (FXE, SPB/SFX, MID, HED, SCS and SQS) by means of three different beamlines (SASE 1, SASE 2 and SASE 3). One of the first detectors used for early-stage experiments was the Adaptive Gain Integrating Pixel Detector (AGIPD), custom designed to meet the challenging needs of scientific instruments. The AGIPD is a megahertz-rate integrating hybrid megapixel camera with a per-pixel adaptive gain amplification, allowing the integration of up to 104 of 12 keV photons per pixel in its low gain stage. Currently, three scientific instruments, namely SPB/SFX, MID and HED employ the AGIPD systems, the latter mentioned using a prototype, half-megapixel camera with an upgraded version of readout ASICs. The AGIPDs at EuXFEL are successfully used for experimental techniques like serial femtosecond crystallography, MHz single particle imaging, MHz X-ray photon correlation spectroscopy or MHz diffraction of materials under high pressures in a diamond anvil cell. Since September 2017, the AGIPD is continuously used and has become an established detector technology, with further advancements and developments planned. Delivering quality experimental data requires reliable and reproducible detector characterisation and calibration that have to be performed regularly with a continuous improvement of correction methods in close collaboration with scientific instruments. This work summarises five years of experience operating the AGIPD detectors at the EuXFEL scientific instruments. It gives an overview of scientific capabilities and examples of successful studies performed with AGIPD detectors. Moreover, challenges concerning detector calibration and characterisation are presented.

Published
2023
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15. Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation

Author

Schubert, R., primary, Reinke, P., additional, Galchenkova, M., additional, Oberthuer, D., additional, Murillo, G.E.P., additional, Kim, C., additional, Bean, R., additional, Turk, D., additional, Hinrichs, W., additional, Middendorf, P., additional, Round, A., additional, Schmidt, C., additional, Mills, G., additional, Kirkwood, H., additional, Han, H., additional, Koliyadu, J., additional, Bielecki, J., additional, Gelisio, L., additional, Sikorski, M., additional, Kloos, M., additional, Vakilii, M., additional, Yefanov, O.N., additional, Vagovic, P., additional, de-Wijn, R., additional, Letrun, R., additional, Guenther, S., additional, White, T.A., additional, Sato, T., additional, Srinivasan, V., additional, Kim, Y., additional, Chretien, A., additional, Han, S., additional, Brognaro, H., additional, Maracke, J., additional, Knoska, J., additional, Seychell, B.C., additional, Brings, L., additional, Norton-Baker, B., additional, Geng, T., additional, Dore, A.S., additional, Uetrecht, C., additional, Redecke, L., additional, Beck, T., additional, Lorenzen, K., additional, Betzel, C., additional, Mancuso, A.P., additional, Bajt, S., additional, Chapman, H.N., additional, Meents, A., additional, and Lane, T.J., additional

Published
2023
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16. Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation

Author

Schubert, R., primary, Reinke, P., additional, Galchenkova, M., additional, Oberthuer, D., additional, Murillo, G.E.P., additional, Kim, C., additional, Bean, R., additional, Turk, D., additional, Hinrichs, W., additional, Middendorf, P., additional, Round, A., additional, Schmidt, C., additional, Mills, G., additional, Kirkwood, H., additional, Han, H., additional, Koliyadu, J., additional, Bielecki, J., additional, Gelisio, L., additional, Sikorski, M., additional, Kloos, M., additional, Vakilii, M., additional, Yefanov, O.N., additional, Vagovic, P., additional, de-Wijn, R., additional, Letrun, R., additional, Guenther, S., additional, White, T.A., additional, Sato, T., additional, Srinivasan, V., additional, Kim, Y., additional, Chretien, A., additional, Han, S., additional, Brognaro, H., additional, Maracke, J., additional, Knoska, J., additional, Seychell, B.C., additional, Brings, L., additional, Norton-Baker, B., additional, Geng, T., additional, Dore, A.S., additional, Uetrecht, C., additional, Redecke, L., additional, Beck, T., additional, Lorenzen, K., additional, Betzel, C., additional, Mancuso, A.P., additional, Bajt, S., additional, Chapman, H.N., additional, Meents, A., additional, and Lane, T.J., additional

Published
2023
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18. Author Correction: A MHz-repetition-rate hard X-ray free-electron laser driven by a superconducting linear accelerator

Author

Decking, W., Abeghyan, S., Abramian, P., Abramsky, A., Aguirre, A., Albrecht, C., Alou, P., Altarelli, M., Altmann, P., Amyan, K., Anashin, V., Apostolov, E., Appel, K., Auguste, D., Ayvazyan, V., Baark, S., Babies, F., Baboi, N., Bak, P., Balandin, V., Baldinger, R., Baranasic, B., Barbanotti, S., Belikov, O., Belokurov, V., Belova, L., Belyakov, V., Berry, S., Bertucci, M., Beutner, B., Block, A., Blöcher, M., Böckmann, T., Bohm, C., Böhnert, M., Bondar, V., Bondarchuk, E., Bonezzi, M., Borowiec, P., Bösch, C., Bösenberg, U., Bosotti, A., Böspflug, R., Bousonville, M., Boyd, E., Bozhko, Y., Brand, A., Branlard, J., Briechle, S., Brinker, F., Brinker, S., Brinkmann, R., Brockhauser, S., Brovko, O., Brück, H., Brüdgam, A., Butkowski, L., Büttner, T., Calero, J., Castro-Carballo, E., Cattalanotto, G., Charrier, J., Chen, J., Cherepenko, A., Cheskidov, V., Chiodini, M., Chong, A., Choroba, S., Chorowski, M., Churanov, D., Cichalewski, W., Clausen, M., Clement, W., Cloué, C., Cobos, J. A., Coppola, N., Cunis, S., Czuba, K., Czwalinna, M., D’Almagne, B., Dammann, J., Danared, H., de Zubiaurre Wagner, A., Delfs, A., Delfs, T., Dietrich, F., Dietrich, T., Dohlus, M., Dommach, M., Donat, A., Dong, X., Doynikov, N., Dressel, M., Duda, M., Duda, P., Eckoldt, H., Ehsan, W., Eidam, J., Eints, F., Engling, C., Englisch, U., Ermakov, A., Escherich, K., Eschke, J., Saldin, E., Faesing, M., Fallou, A., Felber, M., Fenner, M., Fernandes, B., Fernández, J. M., Feuker, S., Filippakopoulos, K., Floettmann, K., Fogel, V., Fontaine, M., Francés, A., Martin, I. Freijo, Freund, W., Freyermuth, T., Friedland, M., Fröhlich, L., Fusetti, M., Fydrych, J., Gallas, A., García, O., Garcia-Tabares, L., Geloni, G., Gerasimova, N., Gerth, C., Geßler, P., Gharibyan, V., Gloor, M., Głowinkowski, J., Goessel, A., Gołębiewski, Z., Golubeva, N., Grabowski, W., Graeff, W., Grebentsov, A., Grecki, M., Grevsmuehl, T., Gross, M., Grosse-Wortmann, U., Grünert, J., Grunewald, S., Grzegory, P., Feng, G., Guler, H., Gusev, G., Gutierrez, J. L., Hagge, L., Hamberg, M., Hanneken, R., Harms, E., Hartl, I., Hauberg, A., Hauf, S., Hauschildt, J., Hauser, J., Havlicek, J., Hedqvist, A., Heidbrook, N., Hellberg, F., Henning, D., Hensler, O., Hermann, T., Hidvégi, A., Hierholzer, M., Hintz, H., Hoffmann, F., Hoffmann, Markus, Hoffmann, Matthias, Holler, Y., Hüning, M., Ignatenko, A., Ilchen, M., Iluk, A., Iversen, J., Iversen, J., Izquierdo, M., Jachmann, L., Jardon, N., Jastrow, U., Jensch, K., Jensen, J., Jeżabek, M., Jidda, M., Jin, H., Johansson, N., Jonas, R., Kaabi, W., Kaefer, D., Kammering, R., Kapitza, H., Karabekyan, S., Karstensen, S., Kasprzak, K., Katalev, V., Keese, D., Keil, B., Kholopov, M., Killenberger, M., Kitaev, B., Klimchenko, Y., Klos, R., Knebel, L., Koch, A., Koepke, M., Köhler, S., Köhler, W., Kohlstrunk, N., Konopkova, Z., Konstantinov, A., Kook, W., Koprek, W., Körfer, M., Korth, O., Kosarev, A., Kosiński, K., Kostin, D., Kot, Y., Kotarba, A., Kozak, T., Kozak, V., Kramert, R., Krasilnikov, M., Krasnov, A., Krause, B., Kravchuk, L., Krebs, O., Kretschmer, R., Kreutzkamp, J., Kröplin, O., Krzysik, K., Kube, G., Kuehn, H., Kujala, N., Kulikov, V., Kuzminych, V., La Civita, D., Lacroix, M., Lamb, T., Lancetov, A., Larsson, M., Le Pinvidic, D., Lederer, S., Lensch, T., Lenz, D., Leuschner, A., Levenhagen, F., Li, Y., Liebing, J., Lilje, L., Limberg, T., Lipka, D., List, B., Liu, J., Liu, S., Lorbeer, B., Lorkiewicz, J., Lu, H. H., Ludwig, F., Machau, K., Maciocha, W., Madec, C., Magueur, C., Maiano, C., Maksimova, I., Malcher, K., Maltezopoulos, T., Mamoshkina, E., Manschwetus, B., Marcellini, F., Marinkovic, G., Martinez, T., Martirosyan, H., Maschmann, W., Maslov, M., Matheisen, A., Mavric, U., Meißner, J., Meissner, K., Messerschmidt, M., Meyners, N., Michalski, G., Michelato, P., Mildner, N., Moe, M., Moglia, F., Mohr, C., Mohr, S., Möller, W., Mommerz, M., Monaco, L., Montiel, C., Moretti, M., Morozov, I., Morozov, P., Mross, D., Mueller, J., Müller, C., Müller, J., Müller, K., Munilla, J., Münnich, A., Muratov, V., Napoly, O., Näser, B., Nefedov, N., Neumann, Reinhard, Neumann, Rudolf, Ngada, N., Noelle, D., Obier, F., Okunev, I., Oliver, J. A., Omet, M., Oppelt, A., Ottmar, A., Oublaid, M., Pagani, C., Paparella, R., Paramonov, V., Peitzmann, C., Penning, J., Perus, A., Peters, F., Petersen, B., Petrov, A., Petrov, I., Pfeiffer, S., Pflüger, J., Philipp, S., Pienaud, Y., Pierini, P., Pivovarov, S., Planas, M., Pławski, E., Pohl, M., Polinski, J., Popov, V., Prat, S., Prenting, J., Priebe, G., Pryschelski, H., Przygoda, K., Pyata, E., Racky, B., Rathjen, A., Ratuschni, W., Regnaud-Campderros, S., Rehlich, K., Reschke, D., Robson, C., Roever, J., Roggli, M., Rothenburg, J., Rusiński, E., Rybaniec, R., Sahling, H., Salmani, M., Samoylova, L., Sanzone, D., Saretzki, F., Sawlanski, O., Schaffran, J., Schlarb, H., Schlösser, M., Schlott, V., Schmidt, C., Schmidt-Foehre, F., Schmitz, M., Schmökel, M., Schnautz, T., Schneidmiller, E., Scholz, M., Schöneburg, B., Schultze, J., Schulz, C., Schwarz, A., Sekutowicz, J., Sellmann, D., Semenov, E., Serkez, S., Sertore, D., Shehzad, N., Shemarykin, P., Shi, L., Sienkiewicz, M., Sikora, D., Sikorski, M., Silenzi, A., Simon, C., Singer, W., Singer, X., Sinn, H., Sinram, K., Skvorodnev, N., Smirnow, P., Sommer, T., Sorokin, A., Stadler, M., Steckel, M., Steffen, B., Steinhau-Kühl, N., Stephan, F., Stodulski, M., Stolper, M., Sulimov, A., Susen, R., Świerblewski, J., Sydlo, C., Syresin, E., Sytchev, V., Szuba, J., Tesch, N., Thie, J., Thiebault, A., Tiedtke, K., Tischhauser, D., Tolkiehn, J., Tomin, S., Tonisch, F., Toral, F., Torbin, I., Trapp, A., Treyer, D., Trowitzsch, G., Trublet, T., Tschentscher, T., Ullrich, F., Vannoni, M., Varela, P., Varghese, G., Vashchenko, G., Vasic, M., Vazquez-Velez, C., Verguet, A., Vilcins-Czvitkovits, S., Villanueva, R., Visentin, B., Viti, M., Vogel, E., Volobuev, E., Wagner, R., Walker, N., Wamsat, T., Weddig, H., Weichert, G., Weise, H., Wenndorf, R., Werner, M., Wichmann, R., Wiebers, C., Wiencek, M., Wilksen, T., Will, I., Winkelmann, L., Winkowski, M., Wittenburg, K., Witzig, A., Wlk, P., Wohlenberg, T., Wojciechowski, M., Wolff-Fabris, F., Wrochna, G., Wrona, K., Yakopov, M., Yang, B., Yang, F., Yurkov, M., Zagorodnov, I., Zalden, P., Zavadtsev, A., Zavadtsev, D., Zhirnov, A., Zhukov, A., Ziemann, V., Zolotov, A., Zolotukhina, N., Zummack, F., and Zybin, D.

Published
2020
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19. Expected resolution limits of x-ray free-electron laser single-particle imaging for realistic source and detector properties

Author

E, Juncheng, primary, Kim, Y., additional, Bielecki, J., additional, Sikorski, M., additional, de Wijn, R., additional, Fortmann-Grote, C., additional, Sztuk-Dambietz, J., additional, Koliyadu, J. C. P., additional, Letrun, R., additional, Kirkwood, H. J., additional, Sato, T., additional, Bean, R., additional, Mancuso, A. P., additional, and Kim, C., additional

Published
2022
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20. Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Author

Zhuang, Y, Awel, S, Barty, A, Bean, R, Bielecki, J, Bergemann, M, Daurer, BJ, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Luebke, J, Mall, A, Michelat, T, Morgan, AJ, Roth, N, Samanta, AK, Sato, T, Shen, Z, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Xavier, PL, Yefanov, O, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, Chapman, HN, Ayyer, K, Zhuang, Y, Awel, S, Barty, A, Bean, R, Bielecki, J, Bergemann, M, Daurer, BJ, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Luebke, J, Mall, A, Michelat, T, Morgan, AJ, Roth, N, Samanta, AK, Sato, T, Shen, Z, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Xavier, PL, Yefanov, O, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, Chapman, HN, and Ayyer, K

Abstract

One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand-maximize-compress (EMC) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.

Published
2022

21. Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Author

Zhuang, Y., Awel, S., Barty, A., Bean, R., Bielecki, J., Bergemann, M., Daurer, B.J., Ekeberg, T., Estillore, A.D., Fangohr, H., Giewekemeyer, K., Hunter, M.S., Karnevskiy, M., Kirian, R.A., Kirkwood, H., Kim, Y., Koliyadu, J., Lange, H, Letrun, R., Lubke, J., Mall, A., Michelat, T., Morgan, A.J., Roth, N., Samanta, A.K., Sato, T., Shen, Z., Sikorski, M., Schulz, F., Spence, J.C.H., Vagovic, P., Wollweber, T., Worbs, L., Xavier, P.L., Yefanov, O., Maia, F.R.N.C., Horke, D.A., Kupper, J., Loh, N.D., Mancuso, A.P., Chapman, H.N., Ayyer, K., Zhuang, Y., Awel, S., Barty, A., Bean, R., Bielecki, J., Bergemann, M., Daurer, B.J., Ekeberg, T., Estillore, A.D., Fangohr, H., Giewekemeyer, K., Hunter, M.S., Karnevskiy, M., Kirian, R.A., Kirkwood, H., Kim, Y., Koliyadu, J., Lange, H, Letrun, R., Lubke, J., Mall, A., Michelat, T., Morgan, A.J., Roth, N., Samanta, A.K., Sato, T., Shen, Z., Sikorski, M., Schulz, F., Spence, J.C.H., Vagovic, P., Wollweber, T., Worbs, L., Xavier, P.L., Yefanov, O., Maia, F.R.N.C., Horke, D.A., Kupper, J., Loh, N.D., Mancuso, A.P., Chapman, H.N., and Ayyer, K.

Abstract

Contains fulltext : 282411.pdf (Publisher’s version ) (Open Access)

Published
2022

22. Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers

Author

Holmes, S, Kirkwood, HJ, Bean, R, Giewekemeyer, K, Martin, A, Hadian-Jazi, M, Wiedorn, MO, Oberthuer, D, Marman, H, Adriano, L, Al-Qudami, N, Bajt, S, Barak, I, Bari, S, Bielecki, J, Brockhauser, S, Coleman, MA, Cruz-Mazo, F, Danilevski, C, Doerner, K, Ganan-Calvo, AM, Graceffa, R, Fanghor, H, Heymann, M, Frank, M, Kaukher, A, Kim, Y, Kobe, B, Knoska, J, Laurus, T, Letrun, R, Maia, L, Messerschmidt, M, Metz, M, Michelat, T, Mills, G, Molodtsov, S, Monteiro, DCF, Morgan, AJ, Muennich, A, Murillo, GEP, Previtali, G, Round, A, Sato, T, Schubert, R, Schulz, J, Shelby, M, Seuring, C, Sellberg, JA, Sikorski, M, Silenzi, A, Stern, S, Sztuk-Dambietz, J, Szuba, J, Trebbin, M, Vagovic, P, Ve, T, Weinhausen, B, Wrona, K, Xavier, PL, Xu, C, Yefanov, O, Nugent, KA, Chapman, HN, Mancuso, AP, Barty, A, Abbey, B, Darmanin, C, Holmes, S, Kirkwood, HJ, Bean, R, Giewekemeyer, K, Martin, A, Hadian-Jazi, M, Wiedorn, MO, Oberthuer, D, Marman, H, Adriano, L, Al-Qudami, N, Bajt, S, Barak, I, Bari, S, Bielecki, J, Brockhauser, S, Coleman, MA, Cruz-Mazo, F, Danilevski, C, Doerner, K, Ganan-Calvo, AM, Graceffa, R, Fanghor, H, Heymann, M, Frank, M, Kaukher, A, Kim, Y, Kobe, B, Knoska, J, Laurus, T, Letrun, R, Maia, L, Messerschmidt, M, Metz, M, Michelat, T, Mills, G, Molodtsov, S, Monteiro, DCF, Morgan, AJ, Muennich, A, Murillo, GEP, Previtali, G, Round, A, Sato, T, Schubert, R, Schulz, J, Shelby, M, Seuring, C, Sellberg, JA, Sikorski, M, Silenzi, A, Stern, S, Sztuk-Dambietz, J, Szuba, J, Trebbin, M, Vagovic, P, Ve, T, Weinhausen, B, Wrona, K, Xavier, PL, Xu, C, Yefanov, O, Nugent, KA, Chapman, HN, Mancuso, AP, Barty, A, Abbey, B, and Darmanin, C

Abstract

The European X-ray Free Electron Laser (XFEL) and Linac Coherent Light Source (LCLS) II are extremely intense sources of X-rays capable of generating Serial Femtosecond Crystallography (SFX) data at megahertz (MHz) repetition rates. Previous work has shown that it is possible to use consecutive X-ray pulses to collect diffraction patterns from individual crystals. Here, we exploit the MHz pulse structure of the European XFEL to obtain two complete datasets from the same lysozyme crystal, first hit and the second hit, before it exits the beam. The two datasets, separated by <1 µs, yield up to 2.1 Å resolution structures. Comparisons between the two structures reveal no indications of radiation damage or significant changes within the active site, consistent with the calculated dose estimates. This demonstrates MHz SFX can be used as a tool for tracking sub-microsecond structural changes in individual single crystals, a technique we refer to as multi-hit SFX.

Published
2022

31. 3D diffractive imaging of nanoparticle ensembles using an x-ray laser

Author

Ayyer, K, Xavier, PL, Bielecki, J, Shen, Z, Daurer, BJ, Samanta, AK, Awel, S, Bean, R, Barty, A, Bergemann, M, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Lubke, J, Michelat, T, Morgan, AJ, Roth, N, Sato, T, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Yefanov, O, Zhuang, Y, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, Chapman, HN, Ayyer, K, Xavier, PL, Bielecki, J, Shen, Z, Daurer, BJ, Samanta, AK, Awel, S, Bean, R, Barty, A, Bergemann, M, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Lubke, J, Michelat, T, Morgan, AJ, Roth, N, Sato, T, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Yefanov, O, Zhuang, Y, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, and Chapman, HN

Abstract

Single particle imaging at x-ray free electron lasers (XFELs) has the potential to determine the structure and dynamics of single biomolecules at room temperature. Two major hurdles have prevented this potential from being reached, namely, the collection of sufficient high-quality diffraction patterns and robust computational purification to overcome structural heterogeneity. We report the breaking of both of these barriers using gold nanoparticle test samples, recording around 10 million diffraction patterns at the European XFEL and structurally and orientationally sorting the patterns to obtain better than 3-nm-resolution 3D reconstructions for each of four samples. With these new developments, integrating advancements in x-ray sources, fast-framing detectors, efficient sample delivery, and data analysis algorithms, we illuminate the path towards sub-nanometer biomolecular imaging. The methods developed here can also be extended to characterize ensembles that are inherently diverse to obtain their full structural landscape.

Published
2021

32. Femtosecond laser produced periodic plasma in a colloidal crystal probed by XFEL radiation

Author

Mukharamova, N., Lazarev, S., Meijer, J.-M., Gorobtsov, O. Y., Singer, A., Chollet, M., Bussmann, M., Dzhigaev, D., Feng, Y., Garten, M., Huebl, A., Kluge, T., Kurta, R. P., Lipp, V., Santra, R. J., Sikorski, M., Song, S., Williams, G., Zhu, D., Ziaja-Motyka, B., Cowan, T. E., Petukhov, A. V., Vartanyants, I. A., Mukharamova, N., Lazarev, S., Meijer, J.-M., Gorobtsov, O. Y., Singer, A., Chollet, M., Bussmann, M., Dzhigaev, D., Feng, Y., Garten, M., Huebl, A., Kluge, T., Kurta, R. P., Lipp, V., Santra, R. J., Sikorski, M., Song, S., Williams, G., Zhu, D., Ziaja-Motyka, B., Cowan, T. E., Petukhov, A. V., and Vartanyants, I. A.

Abstract

With the rapid development of short-pulse intense laser sources, studies of matter under extreme irradiation conditions enter further unexplored regimes. In addition, an application of X-ray Free-Electron Lasers (XFELs) delivering intense femtosecond X-ray pulses, allows to investigate sample evolution in IR pump - X-ray probe experiments with an unprecedented time resolution. Here we present a detailed study of the periodic plasma created from the colloidal crystal. Both experimental data and theory modeling show that the periodicity in the sample survives to a large extent the extreme excitation and shock wave propagation inside the colloidal crystal. This feature enables probing the excited crystal, using the powerful Bragg peak analysis, in contrast to the conventional studies of dense plasma created from bulk samples for which probing with Bragg diffraction technique is not possible. X-ray diffraction measurements of excited colloidal crystals may then lead towards a better understanding of matter phase transitions under extreme irradiation conditions.

Published
2020

36. Synthesis and photophysical properties of fluorophore-labeled abscisic acid

Author

Hou, X., Abrams, S.R., Balsevich, J.J., Irvine, N., Norstrom, T., Sikorski, M, Sinha, H.K., and Steer, R.P.

Subjects
Chemistry, Analytic -- Research, Excited state chemistry -- Research, Hydrogen-ion concentration, Photochemistry -- Research, Abscisic acid, Spectrum analysis -- Usage, Benzene, Chemical research -- Analysis
Abstract

The 8'-benzophenone, 8'-dansylhydrazone, 3'-S-(2-ethyldansylamide), and 3'-S-acetamidofluorescein derivatives of the plant hormone abscisic acid (ABA) have been synthesized for use in photoaffinity labeling (the benzophenone derivative) or fluorescence probe experiments and have been spectroscopically characterized. One of the three fluorescent compounds, the 3'-tethered fluorescein derivative, exhibits spectroscopic and photophysical properties which indicate that it could be an excellent fluorescent probe of ABA interactions in vivo. The 3'-tethered fluorescein and ABA moieties do not interact strongly, so that the fluorescence properties of the fluorescein-labelled hormone are very similar to those of fluorescein itself. Measurements of the absorption, emission, and fluorescence excitation spectra, fluorescence quantum yields, and fluorescence decay parameters of this derivative as a function of pH indicate that the photophysics is dominated by ground and excited state prototropic equilibria involving only the fluorescein moiety. The fluorescein dianion is the only significant absorber and emitter at pH > 6.7, whereas only the cation absorbs and emits at pH < 0. In the intervening pH range, strong emission from the monoanion and weak emission from two neutral species, tentatively assigned to the zwitterion and the lactone of the fluorescein moiety, is observed. Key words: abscisic acid, fluorescein, synthesis, photophysics.

Published
2000

37. Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics /639/766/94 /639/766/930/2735 /145 /123 article

Author

Perakis F., Camisasca G., Lane T. J., Spah A., Wikfeldt K. T., Sellberg J. A., Lehmkuhler F., Pathak H., Kim K. H., Amann-Winkel K., Schreck S., Song S., Sato T., Sikorski M., Eilert A., McQueen T., Ogasawara H., Nordlund D., Roseker W., Koralek J., Nelson S., Hart P., Alonso-Mori R., Feng Y., Zhu D., Robert A., Grubel G., Pettersson L. G. M., Nilsson A., Perakis, F., Camisasca, G., Lane, T. J., Spah, A., Wikfeldt, K. T., Sellberg, J. A., Lehmkuhler, F., Pathak, H., Kim, K. H., Amann-Winkel, K., Schreck, S., Song, S., Sato, T., Sikorski, M., Eilert, A., Mcqueen, T., Ogasawara, H., Nordlund, D., Roseker, W., Koralek, J., Nelson, S., Hart, P., Alonso-Mori, R., Feng, Y., Zhu, D., Robert, A., Grubel, G., Pettersson, L. G. M., and Nilsson, A.

Abstract

The dynamics of liquid water feature a variety of time scales, ranging from extremely fast ballistic-like thermal motion, to slower molecular diffusion and hydrogen-bond rearrangements. Here, we utilize coherent X-ray pulses to investigate the sub-100 fs equilibrium dynamics of water from ambient conditions down to supercooled temperatures. This novel approach utilizes the inherent capability of X-ray speckle visibility spectroscopy to measure equilibrium intermolecular dynamics with lengthscale selectivity, by measuring oxygen motion in momentum space. The observed decay of the speckle contrast at the first diffraction peak, which reflects tetrahedral coordination, is attributed to motion on a molecular scale within the first 120 fs. Through comparison with molecular dynamics simulations, we conclude that the slowing down upon cooling from 328 K down to 253 K is not due to simple thermal ballistic-like motion, but that cage effects play an important role even on timescales over 25 fs due to hydrogen-bonding.

Published
2018

38. Quenching of excited state pyrene by halothane in poly(oxyethylene)-poly(oxypropylene)-poly(oxyethylene) triblock copolymers

Author

Wen, X., Sikorski, M., Khmelinskii, I.V., and Verrall, R.E.

Subjects
Block copolymers -- Research, Chemical reaction, Rate of -- Research, Halothane -- Usage, Chemicals, plastics and rubber industries
Abstract

A study of the quenching of excited state pyrene by halothane in solutions of poly(oxyethylene)-poly(oxypropylene)-poly(oxyethylene) triblock copolymers at 25 degrees centigrade is presented.

Published
1999

40. Molecular Genetics of a Model Plant: Lupinus luteus

Author

Legocki, A. B., Biesiadka, J., Golinowski, W., Kopcinska, J., Lotocka, B., Rudzinska, A., Sikorski, M., Stepkowski, T., Strozycki, P., Summerfield, R. J., editor, Elmerich, C., editor, Kondorosi, A., editor, and Newton, W. E., editor

Published
1998
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41. A versatile liquid-jet setup for the European XFEL1

Author

Schulz, J., Bielecki, J., Doak, R. B., Dörner, K., Graceffa, R., Shoeman, R. L., Sikorski, M., Thute, P., Westphal, D., and Mancuso, A. P.

Subjects
instrumentation, liquid jets, sample delivery, FEL physics, Research Papers
Abstract

A versatile liquid-jet injection system for serial femtosecond crystallography at the SPB/SFX instrument of the European XFEL is presented. The system comprises a load-lock nozzle rod changer, chamber-in-chamber differential pumping, liquid handling systems and two microscopes for sample imaging and diagnostics., 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.

Published
2019

42. Diffraction based Hanbury Brown and Twiss interferometry at a hard x-ray free-electron laser

Author

Gorobtsov, Oleg Yu, Mukharamova, N., Lazarev, Sergey, Chollet, M., Zhu, D., Feng, Y., Kurta, Ruslan P., Meijer, J. M., Williams, G., Sikorski, M., Song, S., Dzhigaev, D., Serkez, S., Singer, A., Petukhov, A. V., Vartanyants, I. A., Sub Physical and Colloid Chemistry, and Physical and Colloid Chemistry

Subjects
Physics::Atomic and Molecular Clusters, Physics::Accelerator Physics, General
Abstract

X-ray free-electron lasers (XFELs) provide extremely bright and highly spatially coherent x-ray radiation with femtosecond pulse duration. Currently, they are widely used in biology and material science. Knowledge of the XFEL statistical properties during an experiment may be vitally important for the accurate interpretation of the results. Here, for the first time, we demonstrate Hanbury Brown and Twiss (HBT) interferometry performed in diffraction mode at an XFEL source. It allowed us to determine the XFEL statistical properties directly from the Bragg peaks originating from colloidal crystals. This approach is different from the traditional one when HBT interferometry is performed in the direct beam without a sample. Our analysis has demonstrated nearly full (80%) global spatial coherence of the XFEL pulses and an average pulse duration on the order of ten femtoseconds for the monochromatized beam, which is significantly shorter than expected from the electron bunch measurements.

Published
2018

45. Initial observations of the femtosecond timing jitter at the European XFEL

Author

Kirkwood, H. J., Letrun, R., Tanikawa, T., Liu, J., Nakatsutsumi, M., Emons, M., Jezynski, T., Palmer, G., Lederer, M., Bean, R., Buck, J., Di Dio Cafiso, S. D., Graceffa, R., Grünert, J., Göde, S., Höppner, H., Kim, Y., Konopkova, Z., Mills, G., Makita, M., Pelka, A., Preston, T. R., Sikorski, M., Takem, C. M. S., Giewekemeyer, K., Chollet, M., Vagovic, P., Chapman, H. N., Mancuso, A. P., Sato, T., Kirkwood, H. J., Letrun, R., Tanikawa, T., Liu, J., Nakatsutsumi, M., Emons, M., Jezynski, T., Palmer, G., Lederer, M., Bean, R., Buck, J., Di Dio Cafiso, S. D., Graceffa, R., Grünert, J., Göde, S., Höppner, H., Kim, Y., Konopkova, Z., Mills, G., Makita, M., Pelka, A., Preston, T. R., Sikorski, M., Takem, C. M. S., Giewekemeyer, K., Chollet, M., Vagovic, P., Chapman, H. N., Mancuso, A. P., and Sato, T.

Abstract

Intense, ultrashort, and high-repetition-rate X-ray pulses, combined with a femtosecond optical laser, allow pump-probe experiments with fast data acquisition and femtosecond time resolution. However, the relative timing of the X-ray pulses and the optical laser pulses can be controlled only to a level of the intrinsic error of the instrument which, without characterization, limits the time resolution of experiments. This limitation inevitably calls for a precise determination of the relative arrival time, which can be used after measurement for sorting and tagging the experimental data to a much finer resolution than it can be controlled to. The observed root-mean-square timing jitter between the X-ray and the optical laser at the SPB/SFX instrument at European XFEL was 308\&\#x00A0;fs. This first measurement of timing jitter at the European XFEL provides an important step in realizing ultrafast experiments at this novel X-ray source. A method for determining the change in the complex refractive index of samples is also presented.

Published
2019

47. Molecular Genetics of a Model Plant: Lupinus luteus

Author

Legocki, A. B., primary, Biesiadka, J., additional, Golinowski, W., additional, Kopcinska, J., additional, Lotocka, B., additional, Rudzinska, A., additional, Sikorski, M., additional, Stepkowski, T., additional, and Strozycki, P., additional

Published
1998
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