Review
Physics, Applied
Uwe Bergmann, Jan Kern, Robert W. Schoenlein, Philippe Wernet, Vittal K. Yachandra, Junko Yano
Summary: X-ray lasers, with their tunable, intense and short pulses, offer unprecedented capabilities in studying molecular catalysts and metalloenzymes. The development of XFELs allows for powerful new probes of electronic structure dynamics, advancing our understanding of metalloenzymes. With more XFEL facilities starting to operate, new capabilities are expected in the future for real-time observation of metalloenzymes and catalysts in solution.
NATURE REVIEWS PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Trey W. Guest, Richard Bean, Raimund Kammering, Grant van Riessen, Adrian P. Mancuso, Brian Abbey
Summary: This article presents a phenomenological model of XFEL radiation that captures the observed shot-to-shot statistics using a simple time-dependent approximation. The model successfully reproduces non-stationary intensity fluctuations observed at the European XFEL while accurately representing the single-shot properties predicted by FEL theory. Compared to previous models, this approach provides a simple, robust, and computationally inexpensive method for generating statistical representations of XFEL radiation.
Article
Optics
Daniel E. Rivas, Svitozar Serkez, Thomas M. Baumann, Rebecca Boll, Marie Kristin Czwalinna, Simon Dold, Alberto de Fanis, Natalia Gerasimova, Patrik Grychtol, Bjoern Lautenschlager, Maximilian Lederer, Tomasz Jezynksi, Daniel Kane, Tommaso Mazza, Joachim Meier, Jost Mueller, Florent Pallas, Dimitrios Rompotis, Philipp Schmidt, Sebastian Schulz, Sergey Usenko, Sandhya Venkatesan, Jinxiong Wang, Michael Meyer
Summary: In this study, we demonstrate ultrafast X-ray spectroscopies for pump/probe experiments with high temporal and spectral resolution, without the need for additional photon arrival-time monitors.
Article
Chemistry, Multidisciplinary
Diandra Doppler, Mohammad T. Rabbani, Romain Letrun, Jorvani Cruz Villarreal, Dai Hyun Kim, Sahir Gandhi, Ana Egatz-Gomez, Mukul Sonker, Joe Chen, Faisal H. M. Koua, Jayhow Yang, Mohamed Youssef, Victoria Mazalova, Sasa Bajt, Megan L. Shelby, Matt A. Coleman, Max O. Wiedorn, Juraj Knoska, Silvan Schon, Tokushi Sato, Mark S. Hunter, Ahmad Hosseinizadeh, Christopher Kuptiz, Reza Nazari, Roberto C. Alvarez, Konstantinos Karpos, Sahba Zaare, Zachary Dobson, Erin Discianno, Shangji Zhang, James D. Zook, Johan Bielecki, Raphael de Wijn, Adam R. Round, Patrik Vagovic, Marco Kloos, Mohammad Vakili, Gihan K. Ketawala, Natasha E. Stander, Tien L. Olson, Katherine Morin, Jyotirmory Mondal, Jonathan Nguyen, Jose Domingo Meza-Aguilar, Gerdenis Kodis, Sara Vaiana, Jose M. Martin-Garcia, Valerio Mariani, Peter Schwander, Marius Schmidt, Marc Messerschmidt, Abbas Ourmazd, Nadia Zatsepin, Uwe Weierstall, Barry D. Bruce, Adrian P. Mancuso, Thomas Grant, Anton Barty, Henry N. Chapman, Matthias Frank, Raimund Fromme, John C. H. Spence, Sabine Botha, Petra Fromme, Richard A. Kirian, Alexandra Ros
Summary: This study proposes a new method to address the issue of crystal introduction in the X-ray beam. By using an inert oil phase to supplement the flow of the sample, stable injection of crystals from two different materials can be achieved, avoiding crystal clogging and potentially increasing the preservation rate of crystal samples, enabling degradation-free light-induced time-resolved SFX.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Optics
Tao Liu, Kaiqing Zhang, Zheng Qi, Si Chen, Chao Feng, Haixiao Deng, Bo Liu, Dong Wang
Summary: This paper presents a simple and feasible method to generate a two-color X-ray FEL pulse based on an LPA beam. Time-dependent mismatch along the bunch is manipulated by the designed lattice system to enable FEL lasing at different wavelengths within two undulator sections, and the time separation between the two pulses can be precisely adjusted. Numerical simulations confirm the validity and feasibility of generating two-color soft X-ray FELs with gigawatt-level peak power and femtosecond duration.
HIGH POWER LASER SCIENCE AND ENGINEERING
(2021)
Article
Instruments & Instrumentation
Guanglei Wang, Jiawei Yan, Nanshun Huang, Duan Gu, Meng Zhang, Haixiao Deng, Bo Liu, Dong Wang, Xueming Yang, Zhentang Zhao
Summary: This paper investigates the operation of a superconducting linear accelerator in continuous-wave mode and proposes the energy recovery Linac (ERL) mode for flexible control of electron beam energy. By optimizing ERL operation, the strict requirements on RF power system can be significantly relaxed, allowing for enhancements in maximum electron beam energy. The study presents advancements in multi-energy electron beam transport and XFEL performance improvements.
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
(2021)
Article
Chemistry, Multidisciplinary
Heemin Lee, Je Young Ahn, Sae Hwan Chun, Do Hyung Cho, Daeho Sung, Chulho Jung, Jaeyong Shin, Junha Hwang, Sung Soo Ha, Hoyoung Jang, Byeong-Gwan Cho, Sunam Kim, Jaeku Park, Daewoong Nam, Intae Eom, Ji Hoon Shim, Do Young Noh, Yungok Ihm, Changyong Song
Summary: Photoinduced nonequilibrium phase transitions have sparked interest in the dynamic interactions between electrons and crystalline ions. Through experiments and simulations, this study reveals the impact of photoexcitation and bonding orbitals on lattice stability.
Article
Mechanics
Malte Vassholz, Hannes P. Hoeppe, Johannes Hagemann, Juan M. Rossello, Markus Osterhoff, Robert Mettin, Johannes Moeller, Markus Scholz, Ulrike Boesenberg, Joerg Hallmann, Chan Kim, Alexey Zozulya, Wei Lu, Roman Shayduk, Anders Madsen, Tim Salditt
Summary: We investigate the evolution of pressure and structural dynamics in a microfluidic water jet after laser-induced dielectric breakdown using a combination of near-field holography with single femtosecond x-ray free-electron laser pulses and x-ray diffraction. During cavitation and jet breakup, shock waves are emitted along the jet, accompanied by pronounced changes in the structure factor of water. This indicates a transition to a high density liquid structure induced by the transient pressure increase.
Article
Physics, Multidisciplinary
Jiaxin Ye, Yixuan Yang, Chen Yang, Gang Jiang
Summary: In this paper, the ionization rate and response of hollow atoms of Kr under XFEL were studied through calculations and simulations. Three specific photon energies were determined, and the experimental validation showed consistency with previous theoretical studies. The results have significant implications for the study of medium- and high-Z element hollow atoms and the scaling of photon energy of free electron lasers.
Article
Optics
Katarzyna Kunio, Shirly Espinoza, Krishna P. Khakurel
Summary: This article reports a numerical study on the design of an optical element to generate uniform X-ray illumination and its application to coherent diffraction imaging (CDI). The benefits of such illumination in imaging large objects and improving the efficiency of the experimental scheme overall are demonstrated.
Article
Chemistry, Multidisciplinary
Patrick E. Konold, Tong You, Johan Bielecki, Joana Valerio, Marco Kloos, Daniel Westphal, Alfredo Bellisario, Tej Varma Yenupuri, August Wollter, Jayanath C. P. Koliyadu, Faisal H. M. Koua, Romain Letrun, Adam Round, Tokushi Sato, Petra Meszaros, Leonardo Monrroy, Jennifer Mutisya, Szabolcs Bodizs, Taru Larkiala, Amke Nimmrich, Roberto Alvarez, Patrick Adams, Richard Bean, Tomas Ekeberg, Richard A. Kirian, Andrew V. Martin, Sebastian Westenhoff, Filipe R. N. C. Maia
Summary: This article introduces the application of gas-accelerated liquid sheet jet sample injection in XFELs. Through a comparison with conventional liquid jets, the study found that gas-accelerated liquid sheet jet injection exhibits superior performance in several key factors. This is particularly attractive for experiments that require small interaction volumes.
Article
Chemistry, Multidisciplinary
Michele Opromolla, Alberto Bacci, Marcello Rossetti Conti, Andrea Renato Rossi, Giorgio Rossi, Luca Serafini, Alberto Tagliaferri, Vittoria Petrillo
Summary: A seeded Free-Electron Laser driven by a linac based on Super Conducting cavities can generate high-quality X-ray sources with high repetition rate at 2-5 keV, meeting the need for fine time-resolved analysis of matter. The proposed scheme is a Free-Electron Laser Oscillator at 3 keV, working with a cavity based on X-ray mirrors, and the whole chain of X-ray generation is described through start-to-end simulations.
APPLIED SCIENCES-BASEL
(2021)
Article
Chemistry, Multidisciplinary
Theodor Secanell Holstad, Trygve Magnus Raeder, Mads Carlsen, Erik Bergback Knudsen, Leora Dresselhaus-Marais, Kristoffer Haldrup, Hugh Simons, Martin Meedom Nielsen, Henning Friis Poulsen
Summary: Dark-field X-ray microscopy (DFXM) provides nondestructive imaging of microstructure and local strain fields in embedded crystalline elements. This study explores the feasibility of using an X-ray free-electron laser source and a pump-probe scheme to achieve picosecond time-scale DFXM. The simulated results clearly show the propagation of a strain wave.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Multidisciplinary Sciences
Sven Reiche, Gregor Knopp, Bill Pedrini, Eduard Prat, Gabriel Aeppli, Simon Gerber
Summary: This study introduces a new FEL mode that achieves subfemtosecond phase-locked X-ray pulses by splitting the electron bunch in the accelerator, enabling time-domain interferometry and opening up new possibilities for X-ray optical experiments.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
Huijeong Hwang, Taehyun Kim, Hyunchae Cynn, Thomas Vogt, Rachel J. Husband, Karen Appel, Carsten Baehtz, Orianna B. Ball, Marzena A. Baron, Richard Briggs, Maxim Bykov, Elena Bykova, Valerio Cerantola, Julien Chantel, Amy L. Coleman, Dana Dattlebaum, Leora E. Dresselhaus-Marais, Jon H. Eggert, Lars Ehm, William J. Evans, Guillaume Fiquet, Mungo Frost, Konstantin Glazyrin, Alexander F. Goncharov, Zsolt Jenei, Jaeyong Kim, Zuzana Konopkova, Jona Mainberger, Mikako Makita, Hauke Marquardt, Emma E. McBride, James D. McHardy, Sebastien Merkel, Guillaume Morard, Earl F. O'Bannon, Christoph Otzen, Edward J. Pace, Alexander Pelka, Charles M. Pepin, Jeffrey S. Pigott, Vitali B. Prakapenka, Clemens Prescher, Ronald Redmer, Sergio Speziale, Georg Spiekermann, Cornelius Strohm, Blake T. Sturtevant, Nenad Velisavljevic, Max Wilke, Choong-Shik Yoo, Ulf Zastrau, Hanns-Peter Liermann, Malcolm McMahon, R. Stewart McWilliams, Yongjae Lee
Summary: The ultrafast synthesis of epsilon-Fe3N1+x from Fe and N-2 under high pressure using XFEL was observed, demonstrating the exploration of time-dependence of reactions under high-pressure conditions by coupling intense X-ray exposures with the source time structure.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Correction
Physics, Multidisciplinary
N. Berrah, A. Sanchez-Gonzalez, Z. Jurek, R. Obaid, H. Xiong, R. J. Squibb, T. Osipov, A. Lutman, L. Fang, T. Barillot, J. D. Bozek, J. Cryan, T. J. A. Wolf, D. Rolles, R. Coffee, K. Schnorr, S. Augustin, H. Fukuzawa, K. Motomura, N. Niebuhr, L. J. Frasinski, R. Feifel, C. P. Schulz, K. Toyota, S-K. Son, K. Ueda, T. Pfeifer, J. P. Marangos, R. Santra
Article
Optics
Thomas J. Lane, Daniel Ratner
Article
Physics, Nuclear
K. Kabra, S. Li, F. Cropp, Thomas J. Lane, P. Musumeci, D. Ratner
PHYSICAL REVIEW ACCELERATORS AND BEAMS
(2020)
Article
Multidisciplinary Sciences
Kyung Hwan Kim, Katrin Amann-Winkel, Nicolas Giovambattista, Alexander Spah, Fivos Perakis, Harshad Pathak, Marjorie Ladd Parada, Cheolhee Yang, Daniel Mariedahl, Tobias Eklund, Thomas J. Lane, Seonju You, Sangmin Jeong, Matthew Weston, Jae Hyuk Lee, Intae Eom, Minseok Kim, Jaeku Park, Sae Hwan Chun, Peter H. Poole, Anders Nilsson
Article
Multidisciplinary Sciences
James Coakley, Andrew Higginbotham, David McGonegle, Jan Ilavsky, Thomas D. Swinburne, Justin S. Wark, Khandaker M. Rahman, Vassili A. Vorontsov, David Dye, Thomas J. Lane, Sebastien Boutet, Jason Koglin, Joseph Robinson, Despina Milathianaki
Article
Multidisciplinary Sciences
Harshad Pathak, Alexander Spah, Niloofar Esmaeildoost, Jonas A. Sellberg, Kyung Hwan Kim, Fivos Perakis, Katrin Amann-Winkel, Marjorie Ladd-Parada, Jayanath Koliyadu, Thomas J. Lane, Cheolhee Yang, Henrik Till Lemke, Alexander Roland Oggenfuss, Philip J. M. Johnson, Yunpei Deng, Serhane Zerdane, Roman Mankowsky, Paul Beaud, Anders Nilsson
Summary: Through ultrafast calorimetry, it was found that the isobaric specific heat of water sharply increased at around 228 K and reached a maximum at 229 K, similar to the maxima of the isothermal compressibility and correlation length.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Multidisciplinary Sciences
Sebastian Guenther, Patrick Y. A. Reinke, Yaiza Fernandez-Garcia, Julia Lieske, Thomas J. Lane, Helen M. Ginn, Faisal H. M. Koua, Christiane Ehrt, Wiebke Ewert, Dominik Oberthuer, Oleksandr Yefanov, Susanne Meier, Kristina Lorenzen, Boris Krichel, Janine-Denise Kopicki, Luca Gelisio, Wolfgang Brehm, Ilona Dunkel, Brandon Seychell, Henry Gieseler, Brenna Norton-Baker, Beatriz Escudero-Perez, Martin Domaracky, Sofiane Saouane, Alexandra Tolstikova, Thomas A. White, Anna Haenle, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, Miriam Barthelmess, Frank Schluenzen, P. Lourdu Xavier, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Vasundara Srinivasan, Bruno Alves Franca, Martin Schwinzer, Hevila Brognaro, Cromarte Rogers, Diogo Melo, Joanna J. Zaitseva-Doyle, Juraj Knoska, Gisel E. Pena-Murillo, Aida Rahmani Mashhour, Vincent Hennicke, Pontus Fischer, Johanna Hakanpaa, Jan Meyer, Philip Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Andrea R. Beccari, Gleb Bourenkov, David von Stetten, Guillaume Pompidor, Isabel Bento, Saravanan Panneerselvam, Ivars Karpics, Thomas R. Schneider, Maria Marta Garcia-Alai, Stephan Niebling, Christian Guenther, Christina Schmidt, Robin Schubert, Huijong Han, Juliane Boger, Diana C. F. Monteiro, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian G. Feiler, Manfred S. Weiss, Eike-Christian Schulz, Pedram Mehrabi, Katarina Karnicar, Aleksandra Usenik, Jure Loboda, Henning Tidow, Ashwin Chari, Rolf Hilgenfeld, Charlotte Uetrecht, Russell Cox, Andrea Zaliani, Tobias Beck, Matthias Rarey, Stephan Guenther, Dusan Turk, Winfried Hinrichs, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents
Summary: The study identified 37 compounds that bind to the SARS-CoV-2 main protease through a high-throughput x-ray crystallographic screen of two repurposing drug libraries. Among these compounds, one peptidomimetic and six nonpeptidic compounds showed antiviral activity in cell-based viral reduction assays at nontoxic concentrations. The identification of two allosteric binding sites presents potential targets for drug development against SARS-CoV-2.
Article
Biology
Vasundara Srinivasan, Hevila Brognaro, Prince R. Prabhu, Edmarcia Elisa de Souza, Sebastian Guenther, Patrick Y. A. Reinke, Thomas J. Lane, Helen Ginn, Huijong Han, Wiebke Ewert, Janina Sprenger, Faisal H. M. Koua, Sven Falke, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Bruno Alves Franca, Mengying Wang, Angelica Luana C. Barra, Markus Perbandt, Martin Schwinzer, Christina Schmidt, Lea Brings, Kristina Lorenzen, Robin Schubert, Rafael Rahal Guaragna Machado, Erika Donizette Candido, Danielle Bruna Leal Oliveira, Edison Luiz Durigon, Stephan Niebling, Angelica Struve Garcia, Oleksandr Yefanov, Julia Lieske, Luca Gelisio, Martin Domaracky, Philipp Middendorf, Michael Groessler, Fabian Trost, Marina Galchenkova, Aida Rahmani Mashhour, Sofiane Saouane, Johanna Hakanpaeae, Markus Wolf, Maria Garcia Alai, Dusan Turk, Arwen R. Pearson, Henry N. Chapman, Winfried Hinrichs, Carsten Wrenger, Alke Meents, Christian Betzel
Summary: Three natural phenolic compounds have been found to bind to an allosteric site in SARS-CoV-2 papain-like protease, displaying antiviral activity in vitro and showing potential as starting scaffolds for drug design. These compounds can prevent essential molecular interactions and reinstate the host's antiviral immune response that is down-regulated in COVID-19 infections.
COMMUNICATIONS BIOLOGY
(2022)
Article
Chemistry, Analytical
Bjorn Hammarstrom, Thomas J. Lane, Hazal Batili, Raymond Sierra, Martin Wiklund, Jonas A. Sellberg
Summary: Researchers developed an acoustic 2D focusing method for real-time online characterization of protein microcrystals, which improves the reliability and efficiency of serial femtosecond crystallography.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Sathya R. Chitturi, Nicolas G. Burdet, Youssef Nashed, Daniel Ratner, Aashwin Mishra, T. J. Lane, Matthew Seaberg, Vincent Esposito, Chun Hong Yoon, Mike Dunne, Joshua J. Turner
Summary: X-ray free electron laser experiments have brought unique capabilities and opened new directions in research. By applying a new methodology, qualitative advances have been made in three separate areas, which may also find application in new fields. Our algorithm achieves significantly faster speed and higher accuracy compared to traditional models, can maintain accuracy in low-contrast conditions, and predict photon distributions in high average-intensity applications.
STRUCTURAL DYNAMICS-US
(2022)
Article
Biochemical Research Methods
Thomas J. Lane
Summary: Advancements in protein structure prediction, such as AlphaFold2, are debated as to whether the problem is solved. However, these methods currently limit predictions to a single structure, lacking a structural distribution. Realizing this is crucial for future structure prediction algorithms.
Article
Multidisciplinary Sciences
Katrin Amann-Winkel, Kyung Hwan Kim, Nicolas Giovambattista, Marjorie Ladd-Parada, Alexander Spaeh, Fivos Perakis, Harshad Pathak, Cheolhee Yang, Tobias Eklund, Thomas J. Lane, Seonju You, Sangmin Jeong, Jae Hyuk Lee, Intae Eom, Minseok Kim, Jaeku Park, Sae Hwan Chun, Peter H. Poole, Anders Nilsson
Summary: Recent experiments have provided evidence for a liquid-liquid phase transition (LLPT) in supercooled water, which can explain the anomalous properties of liquid water and amorphous ice. By subjecting low-density amorphous (LDA) ice to ultrafast heating, researchers observed the coexistence of high-density and low-density liquid phases, and confirmed the LLPT using femtosecond x-ray laser pulses.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Andre Al-Haddad, Solene Oberli, Jesus Gonzalez-Vazquez, Maximilian Bucher, Gilles Doumy, Phay Ho, Jacek Krzywinski, Thomas J. Lane, Alberto Lutman, Agostino Marinelli, Timothy J. Maxwell, Stefan Moeller, Stephen T. Pratt, Dipanwita Ray, Ron Shepard, Stephen H. Southworth, Alvaro Vazquez-Mayagoitia, Peter Walter, Linda Young, Antonio Picon, Christoph Bostedt
Summary: This study demonstrates the ability to track ultrafast electron rearrangement and chemical bond breaking in real time at specific sites using X-ray photoelectron spectroscopy. By observing the chemical shifts of the carbon core-electron binding energy, the authors can investigate charge redistribution and dissociation processes.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Analytical
Bjorn Hammarstrom, Thomas J. Lane, Hazal Batili, Raymond Sierra, Martin Wiklund, Jonas A. Sellberg
Summary: This study developed an acoustic 2D focusing method for real-time online characterization of protein microcrystals in capillaries. By achieving focusing and controlling concentration, the data collection rate was improved, which aids in the development of improved sample delivery systems.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Taran Driver, Siqi Li, Elio G. Champenois, Joseph Duris, Daniel Ratner, Thomas J. Lane, Philipp Rosenberger, Andre Al-Haddad, Vitali Averbukh, Toby Barnard, Nora Berrah, Christoph Bostedt, Philip H. Bucksbaum, Ryan Coffee, Louis F. DiMauro, Li Fang, Douglas Garratt, Averell Gatton, Zhaoheng Guo, Gregor Hartmann, Daniel Haxton, Wolfram Helml, Zhirong Huang, Aaron LaForge, Andrei Kamalov, Matthias F. Kling, Jonas Knurr, Ming-Fu Lin, Alberto A. Lutman, James P. MacArthur, Jon P. Marangos, Megan Nantel, Adi Natan, Razib Obaid, Jordan T. O'Neal, Niranjan H. Shivaram, Aviad Schori, Peter Walter, Anna Li Wang, Thomas J. A. Wolf, Agostino Marinelli, James P. Cryan
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
