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1. Diamond precipitation dynamics from hydrocarbons at icy planet interior conditions

Author

Frost, Mungo, McWilliams, R. Stewart, Bykova, Elena, Bykov, Maxim, Husband, Rachel J., Andriambariarijaona, Leon M., Khandarkhaeva, Saiana, Massani, Bernhard, Appel, Karen, Baehtz, Carsten, Ball, Orianna B., Cerantola, Valerio, Chariton, Stella, Choi, Jinhyuk, Cynn, Hyunchae, Duff, Matthew J., Dwivedi, Anand, Edmund, Eric, Fiquet, Guillaume, Graafsma, Heinz, Hwang, Huijeong, Jaisle, Nicolas, Kim, Jaeyong, Konôpková, Zuzana, Laurus, Torsten, Lee, Yongjae, Liermann, Hanns-Peter, McHardy, James D., McMahon, Malcolm I., Morard, Guillaume, Nakatsutsumi, Motoaki, Nguyen, Lan Anh, Ninet, Sandra, Prakapenka, Vitali B., Prescher, Clemens, Redmer, Ronald, Stern, Stephan, Strohm, Cornelius, Sztuk-Dambietz, Jolanta, Turcato, Monica, Wu, Zhongyan, Glenzer, Siegfried H., and Goncharov, Alexander F.

Published
2024
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3. Publisher Correction: Diamond precipitation dynamics from hydrocarbons at icy planet interior conditions

Author

Frost, Mungo, McWilliams, R. Stewart, Bykova, Elena, Bykov, Maxim, Husband, Rachel J., Andriambariarijaona, Leon M., Khandarkhaeva, Saiana, Massani, Bernhard, Appel, Karen, Baehtz, Carsten, Ball, Orianna B., Cerantola, Valerio, Chariton, Stella, Choi, Jinhyuk, Cynn, Hyunchae, Duff, Matthew J., Dwivedi, Anand, Edmund, Eric, Fiquet, Guillaume, Graafsma, Heinz, Hwang, Huijeong, Jaisle, Nicolas, Kim, Jaeyong, Konôpková, Zuzana, Laurus, Torsten, Lee, Yongjae, Liermann, Hanns-Peter, McHardy, James D., McMahon, Malcolm I., Morard, Guillaume, Nakatsutsumi, Motoaki, Nguyen, Lan Anh, Ninet, Sandra, Prakapenka, Vitali B., Prescher, Clemens, Redmer, Ronald, Stern, Stephan, Strohm, Cornelius, Sztuk-Dambietz, Jolanta, Turcato, Monica, Wu, Zhongyan, Glenzer, Siegfried H., and Goncharov, Alexander F.

Published
2024
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4. Nano-mupirocin as tumor-targeted antibiotic: Physicochemical, immunotoxicological and pharmacokinetic characterization, and effect on gut microbiome

Author

Cern, Ahuva, Skoczen, Sarah L., Snapp, Kelsie S., Hod, Atara, Zilbersheid, Daniel, Bavli, Yaelle, Alon-Maimon, Tamar, Bachrach, Gilad, Wei, Xiaohui, Berman, Bella, Yassour, Moran, Cedrone, Edward, Neun, Barry W., Dobrovolskaia, Marina A., Clogston, Jeffrey D., Stern, Stephan T., and Barenholz, Yechezkel

Published
2024
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5. Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers

Author

Holmes, Susannah, Kirkwood, Henry J, Bean, Richard, Giewekemeyer, Klaus, Martin, Andrew V, Hadian-Jazi, Marjan, Wiedorn, Max O, Oberthür, Dominik, Marman, Hugh, Adriano, Luigi, Al-Qudami, Nasser, Bajt, Saša, Barák, Imrich, Bari, Sadia, Bielecki, Johan, Brockhauser, Sandor, Coleman, Mathew A, Cruz-Mazo, Francisco, Danilevski, Cyril, Dörner, Katerina, Gañán-Calvo, Alfonso M, Graceffa, Rita, Fanghor, Hans, Heymann, Michael, Frank, Matthias, Kaukher, Alexander, Kim, Yoonhee, Kobe, Bostjan, Knoška, Juraj, Laurus, Torsten, Letrun, Romain, Maia, Luis, Messerschmidt, Marc, Metz, Markus, Michelat, Thomas, Mills, Grant, Molodtsov, Serguei, Monteiro, Diana CF, Morgan, Andrew J, Münnich, Astrid, Peña Murillo, Gisel E, Previtali, Gianpietro, Round, Adam, Sato, Tokushi, Schubert, Robin, Schulz, Joachim, Shelby, Megan, Seuring, Carolin, Sellberg, Jonas A, Sikorski, Marcin, Silenzi, Alessandro, Stern, Stephan, Sztuk-Dambietz, Jola, Szuba, Janusz, Trebbin, Martin, Vagovic, Patrick, Ve, Thomas, Weinhausen, Britta, Wrona, Krzysztof, Xavier, Paul Lourdu, Xu, Chen, Yefanov, Oleksandr, Nugent, Keith A, Chapman, Henry N, Mancuso, Adrian P, Barty, Anton, Abbey, Brian, and Darmanin, Connie

Subjects
Inorganic Chemistry, Chemical Sciences, Physical Sciences, Biological Sciences, Crystallography, X-Ray, Electrons, Lasers, Radiography, X-Rays
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

Published
2022

6. Megahertz single-particle imaging at the European XFEL

Author

Sobolev, Egor, Zolotarev, Serguey, Giewekemeyer, Klaus, Bielecki, Johan, Okamoto, Kenta, Reddy, Hemanth K. N., Andreasson, Jakob, Ayyer, Kartik, Barak, Imrich, Bari, Sadia, Barty, Anton, Bean, Richard, Bobkov, Sergey, Chapman, Henry N., Chojnowski, Grzegorz, Daurer, Benedikt J., Dörner, Katerina, Ekeberg, Tomas, Flückiger, Leonie, Galzitskaya, Oxana, Gelisio, Luca, Hauf, Steffen, Hogue, Brenda G., Horke, Daniel A., Hosseinizadeh, Ahmad, Ilyin, Vyacheslav, Jung, Chulho, Kim, Chan, Kim, Yoonhee, Kirian, Richard A., Kirkwood, Henry, Kulyk, Olena, Letrun, Romain, Loh, Duane, Messerschmidt, Marc, Mühlig, Kerstin, Ourmazd, Abbas, Raab, Natascha, Rode, Andrei V., Rose, Max, Round, Adam, Sato, Takushi, Schubert, Robin, Schwander, Peter, Sellberg, Jonas A., Sikorski, Marcin, Silenzi, Alessandro, Song, Changyong, Spence, John C. H., Stern, Stephan, Sztuk-Dambietz, Jolanta, Teslyuk, Anthon, Timneanu, Nicusor, Trebbin, Martin, Uetrecht, Charlotte, Weinhausen, Britta, Williams, Garth J., Xavier, P Lourdu, Xu, Chen, Vartanyants, Ivan, Lamzin, Victor, Mancuso, Adrian, and Maia, Filipe R. N. C.

Subjects
Physics - Instrumentation and Detectors, Physics - Biological Physics
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 will soon provide 27,000 pulses per second, more than 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 obtained results pave the way towards exploiting high repetition-rate X-ray free-electron lasers for single-particle imaging at their full repetition rate.

Published
2019
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7. X-ray diffractive imaging of controlled gas-phase molecules: Toward imaging of dynamics in the molecular frame

Author

Kierspel, Thomas, Morgan, Andrew, Wiese, Joss, Mullins, Terry, Aquila, Andy, Barty, Anton, Bean, Richard, Boll, Rebecca, Boutet, Sébastien, Bucksbaum, Philip, Chapman, Henry N., Christensen, Lauge, Fry, Alan, Hunter, Mark, Koglin, Jason E., Liang, Mengning, Mariani, Valerio, Natan, Adi, Robinson, Joseph, Rolles, Daniel, Rudenko, Artem, Schnorr, Kirsten, Stapelfeldt, Henrik, Stern, Stephan, Thøgersen, Jan, Yoon, Chun Hong, Wang, Fenglin, and Küpper, Jochen

Subjects
Physics - Atomic and Molecular Clusters, Physics - Chemical Physics
Abstract

We report experimental results on the diffractive imaging of three-dimensionally aligned 2,5-diiodothiophene molecules. The molecules were aligned by chirped near-infrared laser pulses, and their structure was probed at a photon energy of 9.5 keV ($\lambda\approx130 \text{pm}$) provided by the Linac Coherent Light Source. Diffracted photons were recorded on the CSPAD detector and a two-dimensional diffraction pattern of the equilibrium structure of 2,5-diiodothiophene was recorded. The retrieved distance between the two iodine atoms agrees with the quantum-chemically calculated molecular structure to within 5 %. The experimental approach allows for the imaging of intrinsic molecular dynamics in the molecular frame, albeit this requires more experimental data which should be readily available at upcoming high-repetition-rate facilities.

Published
2019
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8. Megahertz single-particle imaging at the European XFEL

Author

Sobolev, Egor, Zolotarev, Sergei, Giewekemeyer, Klaus, Bielecki, Johan, Okamoto, Kenta, Reddy, Hemanth KN, Andreasson, Jakob, Ayyer, Kartik, Barak, Imrich, Bari, Sadia, Barty, Anton, Bean, Richard, Bobkov, Sergey, Chapman, Henry N, Chojnowski, Grzegorz, Daurer, Benedikt J, Dörner, Katerina, Ekeberg, Tomas, Flückiger, Leonie, Galzitskaya, Oxana, Gelisio, Luca, Hauf, Steffen, Hogue, Brenda G, Horke, Daniel A, Hosseinizadeh, Ahmad, Ilyin, Vyacheslav, Jung, Chulho, Kim, Chan, Kim, Yoonhee, Kirian, Richard A, Kirkwood, Henry, Kulyk, Olena, Küpper, Jochen, Letrun, Romain, Loh, N Duane, Lorenzen, Kristina, Messerschmidt, Marc, Mühlig, Kerstin, Ourmazd, Abbas, Raab, Natascha, Rode, Andrei V, Rose, Max, Round, Adam, Sato, Takushi, Schubert, Robin, Schwander, Peter, Sellberg, Jonas A, Sikorski, Marcin, Silenzi, Alessandro, Song, Changyong, Spence, John CH, Stern, Stephan, Sztuk-Dambietz, Jolanta, Teslyuk, Anthon, Timneanu, Nicusor, Trebbin, Martin, Uetrecht, Charlotte, Weinhausen, Britta, Williams, Garth J, Xavier, P Lourdu, Xu, Chen, Vartanyants, Ivan A, Lamzin, Victor S, Mancuso, Adrian, and Maia, Filipe RNC

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

10. Enzyme intermediates captured “on the fly” by mix-and-inject serial crystallography

Author

Olmos, Jose L, Pandey, Suraj, Martin-Garcia, Jose M, Calvey, George, Katz, Andrea, Knoska, Juraj, Kupitz, Christopher, Hunter, Mark S, Liang, Mengning, Oberthuer, Dominik, Yefanov, Oleksandr, Wiedorn, Max, Heyman, Michael, Holl, Mark, Pande, Kanupriya, Barty, Anton, Miller, Mitchell D, Stern, Stephan, Roy-Chowdhury, Shatabdi, Coe, Jesse, Nagaratnam, Nirupa, Zook, James, Verburgt, Jacob, Norwood, Tyler, Poudyal, Ishwor, Xu, David, Koglin, Jason, Seaberg, Matthew H, Zhao, Yun, Bajt, Saša, Grant, Thomas, Mariani, Valerio, Nelson, Garrett, Subramanian, Ganesh, Bae, Euiyoung, Fromme, Raimund, Fung, Russell, Schwander, Peter, Frank, Matthias, White, Thomas A, Weierstall, Uwe, Zatsepin, Nadia, Spence, John, Fromme, Petra, Chapman, Henry N, Pollack, Lois, Tremblay, Lee, Ourmazd, Abbas, Phillips, George N, and Schmidt, Marius

Subjects
Biochemistry and Cell Biology, Biological Sciences, Rare Diseases, Infectious Diseases, Good Health and Well Being, Anti-Bacterial Agents, Bacterial Proteins, Biocatalysis, Ceftriaxone, Cephalosporin Resistance, Crystallography, X-Ray, Kinetics, Lasers, Models, Molecular, Mycobacterium tuberculosis, Time Factors, beta-Lactamases, Developmental Biology
Abstract

BackgroundEver since the first atomic structure of an enzyme was solved, the discovery of the mechanism and dynamics of reactions catalyzed by biomolecules has been the key goal for the understanding of the molecular processes that drive life on earth. Despite a large number of successful methods for trapping reaction intermediates, the direct observation of an ongoing reaction has been possible only in rare and exceptional cases.ResultsHere, we demonstrate a general method for capturing enzyme catalysis "in action" by mix-and-inject serial crystallography (MISC). Specifically, we follow the catalytic reaction of the Mycobacterium tuberculosis β-lactamase with the third-generation antibiotic ceftriaxone by time-resolved serial femtosecond crystallography. The results reveal, in near atomic detail, antibiotic cleavage and inactivation from 30 ms to 2 s.ConclusionsMISC is a versatile and generally applicable method to investigate reactions of biological macromolecules, some of which are of immense biological significance and might be, in addition, important targets for structure-based drug design. With megahertz X-ray pulse rates expected at the Linac Coherent Light Source II and the European X-ray free-electron laser, multiple, finely spaced time delays can be collected rapidly, allowing a comprehensive description of biomolecular reactions in terms of structure and kinetics from the same set of X-ray data.

Published
2018

12. Strongly aligned gas-phase molecules at Free-Electron Lasers

Author

Kierspel, Thomas, Wiese, Joss, Mullins, Terry, Robinson, Joseph, Aquila, Andy, Barty, Anton, Bean, Richard, Boll, Rebecca, Boutet, Sébastien, Bucksbaum, Philip, Chapman, Henry N., Christensen, Lauge, Fry, Alan, Hunter, Mark, Koglin, Jason E., Liang, Mengning, Mariani, Valerio, Morgan, Andrew, Natan, Adi, Petrovic, Vladimir, Rolles, Daniel, Rudenko, Artem, Schnorr, Kirsten, Stapelfeldt, Henrik, Stern, Stephan, Thøgersen, Jan, Yoon, Chun Hong, Wang, Fenglin, Trippel, Sebastian, and Küpper, Jochen

Subjects
Physics - Atomic and Molecular Clusters
Abstract

We demonstrate a novel experimental implementation to strongly align molecules at full repetition rates of free-electron lasers. We utilized the available in-house laser system at the coherent x-ray imaging beamline at the Linac Coherent Light Source. Chirped laser pulses, i. e., the direct output from the regenerative amplifier of the Ti:Sa chirped pulse amplification laser system, were used to strongly align 2,5-diiodothiophene molecules in a molecular beam. The alignment laser pulses had pulse energies of a few mJ and a pulse duration of 94 ps. A degree of alignment of $\left<\cos^2\!\theta_{2D}\right>$ = 0.85 was measured, limited by the intrinsic temperature of the molecular beam rather than by the available laser system. With the general availability of synchronized chirped-pulse-amplified near-infrared laser systems at short-wavelength laser facilities, our approach allows for the universal preparation of molecules tightly fixed in space for experiments with x-ray pulses., Comment: 10 pages, 5 figures

Published
2015
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13. Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers

Author

Stern, Stephan, Holmegaard, Lotte, Filsinger, Frank, Rouzée, Arnaud, Rudenko, Artem, Johnsson, Per, Martin, Andrew V., Barty, Anton, Bostedt, Christoph, Bozek, John D., Coffee, Ryan N., Epp, Sascha, Erk, Benjamin, Foucar, Lutz, Hartmann, Robert, Kimmel, Nils, Kühnel, Kai-Uwe, Maurer, Jochen, Messerschmidt, Marc, Rudek, Benedikt, Starodub, Dmitri G., Thøgersen, Jan, Weidenspointner, Georg, White, Thomas A., Stapelfeldt, Henrik, Rolles, Daniel, Chapman, Henry N., and Küpper, Jochen

Subjects
Physics - Atomic Physics
Abstract

We give a detailed account of the theoretical analysis and the experimental results of an x-ray-diffraction experiment on quantum-state selected and strongly laser-aligned gas-phase ensembles of the prototypical large asymmetric rotor molecule 2,5-diiodobenzonitrile, performed at the Linac Coherent Light Source [Phys. Rev. Lett. 112, 083002 (2014)]. This experiment is the first step toward coherent diffractive imaging of structures and structural dynamics of isolated molecules at atomic resolution, i. e., picometers and femtoseconds, using x-ray free-electron lasers., Comment: submitted to Faraday Discussions 171 "Emerging Photon Technologies for Chemical Dynamics"

Published
2014
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14. X-ray diffraction from isolated and strongly aligned gas-phase molecules with a free-electron laser

Author

Küpper, Jochen, Stern, Stephan, Holmegaard, Lotte, Filsinger, Frank, Rouzée, Arnaud, Rudenko, Artem, Johnsson, Per, Martin, Andrew V., Adolph, Marcus, Aquila, Andrew, Bajt, Saša, Barty, Anton, Bostedt, Christoph, Bozek, John, Caleman, Carl, Coffee, Ryan, Coppola, Nicola, Delmas, Tjark, Epp, Sascha, Erk, Benjamin, Foucar, Lutz, Gorkhover, Tais, Gumprecht, Lars, Hartmann, Andreas, Hartmann, Robert, Hauser, Günter, Holl, Peter, Hömke, Andre, Kimmel, Nils, Krasniqi, Faton, Kühnel, Kai-Uwe, Maurer, Jochen, Messerschmidt, Marc, Mosshammer, Robert, Reich, Christian, Rudek, Benedikt, Santra, Robin, Schlichting, Ilme, Schmidt, Carlo, Schorb, Sebastian, Schulz, Joachim, Soltau, Heike, Spence, John C. H., Starodub, Dmitri, Strüder, Lothar, Thøgersen, Jan, Vrakking, Marc J. J., Weidenspointner, Georg, White, Thomas A., Wunderer, Cornelia, Meijer, Gerard, Ullrich, Joachim, Stapelfeldt, Henrik, Rolles, Daniel, and Chapman, Henry N.

Subjects
Physics - Atomic Physics
Abstract

We report experimental results on x-ray diffraction of quantum-state-selected and strongly aligned ensembles of the prototypical asymmetric rotor molecule 2,5-diiodobenzonitrile using the Linac Coherent Light Source. The experiments demonstrate first steps toward a new approach to diffractive imaging of distinct structures of individual, isolated gas-phase molecules. We confirm several key ingredients of single molecule diffraction experiments: the abilities to detect and count individual scattered x-ray photons in single shot diffraction data, to deliver state-selected, e. g., structural-isomer-selected, ensembles of molecules to the x-ray interaction volume, and to strongly align the scattering molecules. Our approach, using ultrashort x-ray pulses, is suitable to study ultrafast dynamics of isolated molecules., Comment: submitted to PRL

Published
2013
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15. Sphingolipid metabolism determines the therapeutic efficacy of nanoliposomal ceramide in acute myeloid leukemia

Author

Barth, Brian M., Wang, Weiyuan, Toran, Paul T., Fox, Todd E., Annageldiyev, Charyguly, Ondrasik, Regina M., Keasey, Nicole R., Brown, Timothy J., Devine, Viola G., Sullivan, Emily C., Cote, Andrea L., Papakotsi, Vasiliki, Tan, Su-Fern, Shanmugavelandy, Sriram S., Deering, Tye G., Needle, David B., Stern, Stephan T., Zhu, Junjia, Liao, Jason, Viny, Aaron D., Feith, David J., Levine, Ross L., Wang, Hong-Gang, Loughran, Thomas P., Jr, Sharma, Arati, Kester, Mark, and Claxton, David F.

Published
2019
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16. Spatial separation of state- and size-selected neutral clusters

Author

Trippel, Sebastian, Chang, Yuan-Pin, Stern, Stephan, Mullins, Terry, Holmegaard, Lotte, and Küpper, Jochen

Subjects
Physics - Atomic and Molecular Clusters, Physics - Chemical Physics
Abstract

We demonstrate the spatial separation of the prototypical indole(H2O) clusters from the various species present in the supersonic expansion of mixtures of indole and water. The major molecular constituents of the resulting molecular beam are H2O, indole, indole(H2O), and indole(H2O)2. It is a priori not clear whether such floppy systems are amenable to strong manipulation using electric fields. Here, we have exploited the cold supersonic molecular beam and the electrostatic deflector to separate indole(H2O) from the other molecular species as well as the helium seed gas. The experimental results are quantitatively explained by trajectory simulations, which also demonstrate that the quantum-state selectivity of the process leads to samples of indole(H2O) in low-lying rotational states. The prepared clean samples of indole(H2O) are ideally suited for investigations of the stereodynamics of this complex system, including time-resolved half-collision and diffraction experiments of fixed-in-space clusters. Our findings clearly demonstrate that the hydrogen bonded indole(H2O) complex behaves as a rigid molecule under our experimental conditions and that it can be strongly deflected., Comment: 7 pages, 5 figures

Published
2012
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17. Operational experience with Adaptive Gain Integrating Pixel Detectors at European XFEL.

Author

Sztuk-Dambietz, Jolanta, Rovensky, Vratko, Klujev, Alexander, Laurus, Torsten, Trunk, Ulrich, Ahmed, Karim, Meyer, Olivier, Möller, Johannes, Parenti, Andrea, Raab, Natascha, Shayduk, Roman, Sikorski, Marcin, Ansaldi, Gabriele, Bösenberg, Ulrike, Luis, Lopez M., Muenich, Astrid, Preston, Thomas R., Schmidt, Philipp, Stern, Stephan, and Bean, Richard

Subjects
FREE electron lasers, PROGRAMMABLE controllers, ULTRASHORT laser pulses, DETECTORS, X-ray lasers, INFORMATION storage & retrieval systems
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 quality of experimental results. Overall, the experience gained from integrating and operating the AGIPD detectors at the European XFEL, along with the developed methodology for detector characterization and calibration, provides valuable insights for the development of next-generation detectors for Free Electron Laser X-ray sources. [ABSTRACT FROM AUTHOR]

Published
2024
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19. Time-resolved protein nanocrystallography using an X-ray free-electron laser

Author

Aquila, Andrew, Hunter, Mark S, Doak, R Bruce, Kirian, Richard A, Fromme, Petra, White, Thomas A, Andreasson, Jakob, Arnlund, David, Bajt, Saša, Barends, Thomas RM, Barthelmess, Miriam, Bogan, Michael J, Bostedt, Christoph, Bottin, Hervé, Bozek, John D, Caleman, Carl, Coppola, Nicola, Davidsson, Jan, DePonte, Daniel P, Elser, Veit, Epp, Sascha W, Erk, Benjamin, Fleckenstein, Holger, Foucar, Lutz, Frank, Matthias, Fromme, Raimund, Graafsma, Heinz, Grotjohann, Ingo, Gumprecht, Lars, Hajdu, Janos, Hampton, Christina Y, Hartmann, Andreas, Hartmann, Robert, Hau-Riege, Stefan, Hauser, Günter, Hirsemann, Helmut, Holl, Peter, Holton, James M, Hömke, André, Johansson, Linda, Kimmel, Nils, Kassemeyer, Stephan, Krasniqi, Faton, Kühnel, Kai-Uwe, Liang, Mengning, Lomb, Lukas, Malmerberg, Erik, Marchesini, Stefano, Martin, Andrew V, Maia, Filipe RNC, Messerschmidt, Marc, Nass, Karol, Reich, Christian, Neutze, Richard, Rolles, Daniel, Rudek, Benedikt, Rudenko, Artem, Schlichting, Ilme, Schmidt, Carlo, Schmidt, Kevin E, Schulz, Joachim, Seibert, M Marvin, Shoeman, Robert L, Sierra, Raymond, Soltau, Heike, Starodub, Dmitri, Stellato, Francesco, Stern, Stephan, Strüder, Lothar, Timneanu, Nicusor, Ullrich, Joachim, Wang, Xiaoyu, Williams, Garth J, Weidenspointner, Georg, Weierstall, Uwe, Wunderer, Cornelia, Barty, Anton, Spence, John CH, and Chapman, Henry N

Subjects
Crystallography, X-Ray, Electrons, Ferredoxins, Lasers, Nanostructures, Protein Conformation, X-Ray Diffraction, X-Rays, Optical Physics, Electrical and Electronic Engineering, Communications Technologies, Optics
Abstract

We demonstrate the use of an X-ray free electron laser synchronized with an optical pump laser to obtain X-ray diffraction snapshots from the photoactivated states of large membrane protein complexes in the form of nanocrystals flowing in a liquid jet. Light-induced changes of Photosystem I-Ferredoxin co-crystals were observed at time delays of 5 to 10 µs after excitation. The result correlates with the microsecond kinetics of electron transfer from Photosystem I to ferredoxin. The undocking process that follows the electron transfer leads to large rearrangements in the crystals that will terminally lead to the disintegration of the crystals. We describe the experimental setup and obtain the first time-resolved femtosecond serial X-ray crystallography results from an irreversible photo-chemical reaction at the Linac Coherent Light Source. This technique opens the door to time-resolved structural studies of reaction dynamics in biological systems.

Published
2012

20. Segmented flow generator for serial crystallography at the European X-ray free electron laser

Author

Echelmeier, Austin, Cruz Villarreal, Jorvani, Messerschmidt, Marc, Kim, Daihyun, Coe, Jesse D., Thifault, Darren, Botha, Sabine, Egatz-Gomez, Ana, Gandhi, Sahir, Brehm, Gerrit, Conrad, Chelsie E., Hansen, Debra T., Madsen, Caleb, Bajt, Saša, Meza-Aguilar, J. Domingo, Oberthür, Dominik, Wiedorn, Max O., Fleckenstein, Holger, Mendez, Derek, Knoška, Juraj, Martin-Garcia, Jose M., Hu, Hao, Lisova, Stella, Allahgholi, Aschkan, Gevorkov, Yaroslav, Ayyer, Kartik, Aplin, Steve, Ginn, Helen Mary, Graafsma, Heinz, Morgan, Andrew J., Greiffenberg, Dominic, Klujev, Alexander, Laurus, Torsten, Poehlsen, Jennifer, Trunk, Ulrich, Mezza, Davide, Schmidt, Bernd, Kuhn, Manuela, Fromme, Raimund, Sztuk-Dambietz, Jolanta, Raab, Natascha, Hauf, Steffen, Silenzi, Alessandro, Michelat, Thomas, Xu, Chen, Danilevski, Cyril, Parenti, Andrea, Mekinda, Leonce, Weinhausen, Britta, Mills, Grant, Vagovic, Patrik, Kim, Yoonhee, Kirkwood, Henry, Bean, Richard, Bielecki, Johan, Stern, Stephan, Giewekemeyer, Klaus, Round, Adam R., Schulz, Joachim, Dörner, Katerina, Grant, Thomas D., Mariani, Valerio, Barty, Anton, Mancuso, Adrian P., Weierstall, Uwe, Spence, John C. H., Chapman, Henry N., Zatsepin, Nadia, Fromme, Petra, Kirian, Richard A., and Ros, Alexandra

Published
2020
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21. A MHz X-ray diffraction set-up for dynamic compression experiments in the diamond anvil cell

Author

Husband, Rachel J., primary, Strohm, Cornelius, additional, Appel, Karen, additional, Ball, Orianna B., additional, Briggs, Richard, additional, Buchen, Johannes, additional, Cerantola, Valerio, additional, Chariton, Stella, additional, Coleman, Amy L., additional, Cynn, Hyunchae, additional, Dattelbaum, Dana, additional, Dwivedi, Anand, additional, Eggert, Jon H., additional, Ehm, Lars, additional, Evans, William J., additional, Glazyrin, Konstantin, additional, Goncharov, Alexander F., additional, Graafsma, Heinz, additional, Howard, Alex, additional, Huston, Larissa, additional, Hutchinson, Trevor M., additional, Hwang, Huijeong, additional, Jacob, Sony, additional, Kaa, Johannes, additional, Kim, Jaeyong, additional, Kim, Minseob, additional, Koemets, Egor, additional, Konôpková, Zuzana, additional, Langenhorst, Falko, additional, Laurus, Torsten, additional, Li, Xinyang, additional, Mainberger, Jona, additional, Marquardt, Hauke, additional, McBride, Emma E., additional, McGuire, Christopher, additional, McHardy, James D., additional, McMahon, Malcolm I., additional, McWilliams, R. Stewart, additional, Méndez, Alba S. J., additional, Mondal, Anshuman, additional, Morard, Guillaume, additional, O'Bannon, Earl F., additional, Otzen, Christoph, additional, Pépin, Charles M., additional, Prakapenka, Vitali B., additional, Prescher, Clemens, additional, Preston, Thomas R., additional, Redmer, Ronald, additional, Roeper, Michael, additional, Sanchez-Valle, Carmen, additional, Smith, Dean, additional, Smith, Raymond F., additional, Sneed, Daniel, additional, Speziale, Sergio, additional, Spitzbart, Tobias, additional, Stern, Stephan, additional, Sturtevant, Blake T., additional, Sztuk-Dambietz, Jolanta, additional, Talkovski, Peter, additional, Velisavljevic, Nenad, additional, Vennari, Cara, additional, Wu, Zhongyan, additional, Yoo, Choong-Shik, additional, Zastrau, Ulf, additional, Jenei, Zsolt, additional, and Liermann, Hanns-Peter, additional

Published
2023
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26. Single and multi-pulse based X-ray photon correlation spectroscopy

Author

Jo, Wonhyuk, primary, Stern, Stephan, additional, Westermeier, Fabian, additional, Rysov, Rustam, additional, Riepp, Matthias, additional, Schmehr, Julian, additional, Lange, Jörn, additional, Becker, Julian, additional, Sprung, Michael, additional, Laurus, Torsten, additional, Graafsma, Heinz, additional, Lokteva, Irina, additional, Grübel, Gerhard, additional, and Roseker, Wojciech, additional

Published
2023
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29. A MHz X-ray diffraction set-up for dynamic compression experiments in the diamond anvil cell

Author

Husband, Rachel J., Strohm, Cornelius, Appel, Karen, Ball, Orianna B., Briggs, Richard, Buchen, Johannes, Cerantola, Valerio, Chariton, Stella, Coleman, Amy, Cynn, Hyunchae, Dattelbaum, Dana, Dwivedi, Anand, Eggert, Jon H., Ehm, Lars, Evans, William J., Glazyrin, Konstantin, Goncharov, Alexander, Graafsma, Heinz, Howard, Alexander, Huston, Larissa, Hutchinson, Trevor M., Hwang, Huijeong, Jacob, Sony, Kaa, Johannes, Kim, Jaeyong, Kim, Minseob, Koemets, Egor, Konôpková, Zuzana, Langenhorst, Falko, Laurus, Torsten, Li, Xinyang, Mainberger, Jona, Marquardt, Hauke, McBride, Emma E., McGuire, Christopher, McHardy, James, McMahon, Malcolm I., McWilliams, R. Stewart, Méndez, Alba S. J., Mondal, Anshuman, Morard, Guillaume, O'Bannon, Earl, Otzen, Christoph, Pépin, Charles, Prakapenka, Vitali, Prescher, Clemens, Preston, Thomas, Redmer, Ronald, Roeper, Michael, Sanchez-Valle, Carmen, Smith, Dean, Smith, Raymond F., Sneed, Daniel, Speziale, Sergio, Spitzbart, Tobias, Stern, Stephan, Sturtevant, Blake, Sztuk-Dambietz, Jolanta, Talkovski, Peter, Velisavljevic, Nenad, Vennari, Cara, Wu, Zhongyan, Yoo, Choong-Shik, Zastrau, Ulf, Jenei, Zsolt, and Liermann, Hanns-Peter

Subjects
ddc:550
Abstract

Journal of synchrotron radiation 30(4), 671 - 685 (2023). doi:10.1107/S1600577523003910, An experimental platform for dynamic diamond anvil cell (dDAC) research hasbeen developed at the High Energy Density (HED) Instrument at the EuropeanX-ray Free Electron Laser (European XFEL). Advantage was taken of the highrepetition rate of the European XFEL (up to 4.5 MHz) to collect pulse-resolvedMHz X-ray diffraction data from samples as they are dynamically compressed atintermediate strain rates ( 10 3 s1), where up to 352 diffraction images can becollected from a single pulse train. The set-up employs piezo-driven dDACscapable of compressing samples in 340 ms, compatible with the maximumlength of the pulse train (550 ms). Results from rapid compression experimentson a wide range of sample systems with different X-ray scattering powers arepresented. A maximum compression rate of 87 TPa s1 was observed duringthe fast compression of Au, while a strain rate of 1100 s1 was achievedduring the rapid compression of N2 at 23 TPa s1., Published by Wiley-Blackwell, [Erscheinungsort nicht ermittelbar]

Published
2023

30. Single and multi-pulse based X-ray Photon Correlation Spectroscopy

Author

Jo, Wonhyuk, Stern, Stephan, Westermeier, Fabian, Rysov, Rustam, Riepp, Matthias, Schmehr, Julian, Lange, Jörn, Becker, Julian, Sprung, Michael, Laurus, Torsten, Graafsma, Heinz, Lokteva, Irina, Gruebel, Gerhard, and Roseker, Wojciech

Subjects
ddc:530, Atomic and Molecular Physics, and Optics
Abstract

Optics express 31(2), 3315 - 3324 (2023). doi:10.1364/OE.477774, The ability of pulsed nature of synchrotron radiation opens up the possibility of studying microsecond dynamics in complex materials via speckle-based techniques. Here, we present the study of measuring the dynamics of a colloidal system by combining single and multiple X-ray pulses of a storage ring. In addition, we apply speckle correlation techniques at various pulse patterns to collect correlation functions from nanoseconds to milliseconds. The obtained sample dynamics from all correlation techniques at different pulse patterns are in very good agreement with the expected dynamics of Brownian motions of silica nanoparticles in water. Our study will pave the way for future pulsed X-ray investigations at various synchrotron X-ray sources using individual X-ray pulse patterns., Published by Optica, Washington, DC

Published
2023
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36. Megahertz serial crystallography

Author

Wiedorn, Max O., Oberthür, Dominik, Bean, Richard, Schubert, Robin, Werner, Nadine, Abbey, Brian, Aepfelbacher, Martin, Adriano, Luigi, Allahgholi, Aschkan, Al-Qudami, Nasser, Andreasson, Jakob, Aplin, Steve, Awel, Salah, Ayyer, Kartik, Bajt, Saša, Barák, Imrich, Bari, Sadia, Bielecki, Johan, Botha, Sabine, Boukhelef, Djelloul, Brehm, Wolfgang, Brockhauser, Sandor, Cheviakov, Igor, Coleman, Matthew A., Cruz-Mazo, Francisco, Danilevski, Cyril, Darmanin, Connie, Doak, R. Bruce, Domaracky, Martin, Dörner, Katerina, Du, Yang, Fangohr, Hans, Fleckenstein, Holger, Frank, Matthias, Fromme, Petra, Gañán-Calvo, Alfonso M., Gevorkov, Yaroslav, Giewekemeyer, Klaus, Ginn, Helen Mary, Graafsma, Heinz, Graceffa, Rita, Greiffenberg, Dominic, Gumprecht, Lars, Göttlicher, Peter, Hajdu, Janos, Hauf, Steffen, Heymann, Michael, Holmes, Susannah, Horke, Daniel A., Hunter, Mark S., Imlau, Siegfried, Kaukher, Alexander, Kim, Yoonhee, Klyuev, Alexander, Knoška, Juraj, Kobe, Bostjan, Kuhn, Manuela, Kupitz, Christopher, Küpper, Jochen, Lahey-Rudolph, Janine Mia, Laurus, Torsten, Le Cong, Karoline, Letrun, Romain, Xavier, P. Lourdu, Maia, Luis, Maia, Filipe R. N. C., Mariani, Valerio, Messerschmidt, Marc, Metz, Markus, Mezza, Davide, Michelat, Thomas, Mills, Grant, Monteiro, Diana C. F., Morgan, Andrew, Mühlig, Kerstin, Munke, Anna, Münnich, Astrid, Nette, Julia, Nugent, Keith A., Nuguid, Theresa, Orville, Allen M., Pandey, Suraj, Pena, Gisel, Villanueva-Perez, Pablo, Poehlsen, Jennifer, Previtali, Gianpietro, Redecke, Lars, Riekehr, Winnie Maria, Rohde, Holger, Round, Adam, Safenreiter, Tatiana, Sarrou, Iosifina, Sato, Tokushi, Schmidt, Marius, Schmitt, Bernd, Schönherr, Robert, Schulz, Joachim, Sellberg, Jonas A., Seibert, M. Marvin, Seuring, Carolin, Shelby, Megan L., Shoeman, Robert L., Sikorski, Marcin, Silenzi, Alessandro, Stan, Claudiu A., Shi, Xintian, Stern, Stephan, Sztuk-Dambietz, Jola, Szuba, Janusz, Tolstikova, Aleksandra, Trebbin, Martin, Trunk, Ulrich, Vagovic, Patrik, Ve, Thomas, Weinhausen, Britta, White, Thomas A., Wrona, Krzysztof, Xu, Chen, Yefanov, Oleksandr, Zatsepin, Nadia, Zhang, Jiaguo, Perbandt, Markus, Mancuso, Adrian P., Betzel, Christian, Chapman, Henry, and Barty, Anton

Published
2018
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38. Target-Specific Nanoparticle Down-Regulates Mutant Kras to Prevent Pancreatic Carcinogenesis and Tumor Progression

Author

Smith, Jill P., Wenqiang Chen, Shivapurkar, Narayan, Gerber, Monica, Tucker, Robin D., Kallakur, Bhaskar, Dasa, Siva Sai Krishna, Ruvanthi N. Kularatne, and Stern, Stephan T.

Abstract

Supplementary materials; Figure S1. Confirmation of AsPC-1 tumor metastases by histology; Figure S2. Mouse intestine; Figure S3. Mouse stomach; Figure S4. Mouse liver; Figure S5. Mouse kidney; Figure S6. Mouse spleen; Table S1: Sequences of the siRNAs loaded to nanoparticles; and Table S2: Primers used for qRT-PCR.

Published
2022
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40. Plasma Stability and Plasma Metabolite Concentration–Time Profiles of Oligo(Lactic Acid)8-Paclitaxel Prodrug Loaded Polymeric Micelles.

Author

Repp, Lauren, Skoczen, Sarah L., Rasoulianboroujeni, Morteza, Stern, Stephan T., and Kwon, Glen S.

Abstract

Paclitaxel (PTX) is a frequently prescribed chemotherapy drug used to treat a wide variety of solid tumors. Oligo(lactic acid)8-PTX prodrug (o(LA)8-PTX) loaded poly(ethylene glycol)-b-poly(lactic acid) (PEG-b-PLA) micelles have higher loading, slower release and higher antitumor efficacy in murine tumor models over PTX-loaded PEG-b-PLA micelles. The goal of this work is to study plasma stability of o(LA)8-PTX-loaded PEG-b-PLA micelles and its pharmacokinetics after IV injection in rats. In rat plasma, o(LA)8-PTX prodrug is metabolized into o(LA)1-PTX and PTX. In human plasma, o(LA)8-PTX is metabolized more slowly into o(LA)2-PTX, o(LA)1-PTX, and PTX. After IV injection of 10 mg/kg PTX-equiv of o(LA)8-PTX prodrug loaded PEG-b-PLA micelles in Sprague–Dawley rats, metabolite abundance in plasma follows the order: o(LA)1-PTX > o(LA)2-PTX > o(LA)4-PTX > o(LA)6-PTX. Bile metabolite profiles of the o(LA)8-PTX prodrug is similar to plasma metabolite profiles. In comparison to equivalent doses of Abraxane®, plasma PTX exposure is two orders of magnitude higher for Abraxane® than PTX from o(LA)8-PTX prodrug loaded PEG-b-PLA micelles, and plasma o(LA)1-PTX exposure is fivefold higher than PTX from Abraxane®, demonstrating heightened plasma metabolite exposure for enhanced antitumor efficacy. [ABSTRACT FROM AUTHOR]

Published
2023
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48. Bioequivalence Assessment of High-Capacity Polymeric Micelle Nanoformulation of Paclitaxel and Abraxane® in Rodent and Non-Human Primate Models Using a Stable Isotope Tracer Assay

Author

Hwang, Duhyeong, primary, Vinod, Natasha, additional, Skoczen, Sarah L., additional, Ramsey, Jacob D., additional, Snapp, Kelsie S., additional, Montgomery, Stephanie A., additional, Wang, Mengzhe, additional, Lim, Chaemin, additional, Frank, Jonathan E., additional, Sokolsky-Papkov, Marina, additional, Li, Zibo, additional, Yuan, Hong, additional, Stern, Stephan T., additional, and Kabanov, Alexander V., additional

Published
2021
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