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22 items found (0 items not approved), displaying 1 to 10.[First/Prev] 1, 2, 3 [Next/Last]

Instruments / Technical Area	Publication Details	Published
	The single-particle, clusters and biomolecules and serial femtosecond crystallography instrument of the European X-ray Free-Electron Laser: Interaction region downstream at atmospheric pressure (IRD) Adam Round , Pierre Aller , Richard Bean , Johan Bielecki , Agata Butryn , Nicholas E. Devenish , Raphael De Wijn , Thomas Dietze , Katerina Doerner , Fabio Dall'Antonia , Gabriele Giovanetti , Huijong Han , Vincent Hennicke , Chan Kim , Yoonhee Kim , Marco Kloos , Jayanath C. P. Koliyadu , Gabriel Leen , Romain Letrun , Luis Lopez Morillo , Allen M. Orville , Tim Pakendorf , Marco Ramilli , Nadja Reimers , Patrick Reinke , Juan Sanchez-Weatherby , Tokushi Sato , Robin Schubert , Joachim Schulz , Cedric Signe Takem , Marcin Sikorski , Prasad Thute , Fabian Trost , Oleksii Turkot , Patrik Vagovic , Mohammad Vakili , Raul Villanueva Guerrero , Henry N. Chapman , Alke Meents , Serguei Molodtsov , Sakura Pascarelli , Thomas Tschentschera , Adrian Mancuso , Pontus Fischer , Sebastian Guenther Journal Of Synchrotron Radiation 33 DOI: 10.1107/S1600577525008999 Open Access Show Abstract ▼ Abstract: The Single-Particle, Clusters and Biomolecules and Serial Femtosecond Crystallography (SPB/SFX) scientific instrument at the European X-Ray Free-Electron Laser (EuXFEL) became operational with user experiments in September 2017. The unique properties and capabilities of the EuXFEL, enabling megahertz data collection rates, provide more rapid data collection with improved statistics compared with other XFEL facilities. This improves the feasibility of obtaining multiple data points in time-resolved experiments and hence enables the observation of reactions in greater detail (molecular movies). In collaboration with the SFX User Consortium (SFX UC), the SPB/SFX instrument was designed to further increase user access and research outcomes. Focusing the pulses downstream of the first interaction region [described previously (Mancuso et al., 2019)], a second experiment plane is enabled, which allows for greater optimization and more efficient usage of available beam time. Additionally, the SFX UC provided further instrumentation to provide improved capabilities on SPB/SFX. The aim for additional and extended functionality for the second interaction region was to enable sample-efficient data collection at atmospheric pressure in an environment where the sample temperature and humidity can be controlled. This paper describes the extended capabilities of the downstream interaction region of the SPB/SFX instrument and its major components, in particular its X-ray focusing optics, vacuum to atmospheric pressure out-coupling, available sample delivery methods and 2D detector, and the supporting optical laser systems for pump–probe experiments.	Nov 2025
	Ultrasonic cavitation shock wave exfoliation dynamics of 2D materials revealed in situ by MHz XFEL imaging and multiphysics modeling Kang Xiang , Ling Qin , Shi Huang , Hongyuan Song , Vasilii Bazhenov , Sarlota Birnšteinová , Raphael De Wijn , Jayanath C. P. Koliyadu , Faisal H. M. Koua , Adam Round , Ekaterina Round , Abhisakh Sarma , Tokushi Sato , Marcin Sikorski , Yuhe Zhang , Eleni Myrto Asimakopoulou , Pablo Villanueva-Perez , Kyriakos Porfyrakis , Iakovos Tzanakis , Dmitry G. Eskin , Nicole Grobert , Adrian Mancuso , Richard Bean , Patrik Vagovic , Jiawei Mi , Valerio Bellucci Science Advances 11 DOI: 10.1126/sciadv.ady9558 Open Access Show Abstract ▼ Abstract: Using megahertz x-ray free electron laser imaging with x-ray pulses of ~25 femtoseconds and a machine-learning strategy, we have conducted comprehensive in situ imaging studies on the dynamics of cavitation bubble clouds in ultrasound fields at the SPB/SFX beamline of the European XFEL. The research unambiguously revealed the quasi-simultaneous implosion of multiple bubbles and simultaneous collapse of bubble cloud in nanosecond scale and their dynamic impacts onto two-dimensional (2D) materials for layer exfoliation. We have also performed multiphysics modeling to simulate the shock wave emission, propagation, impact, and stresses produced. We elucidated the critical conditions for producing instant or fatigue exfoliation and the effects of bonding strengths and structural defects on the exfoliation rate. The discoveries have filled the long-standing missing knowledge gaps in the underlying physics of exfoliating 2D materials in ultrasound fields, providing a solid theoretical foundation for optimizing and scaling-up operation to produce 2D materials in a much more cost-effective and sustainable way.	Nov 2025
	Pr and Pfr structures of plant phytochrome A Soshichiro Nagano , David Von Stetten , Kaoling Guan , Peng-Yuan Chen , Chen Song , Thomas Barends , Manfred S. Weiss , Christian G. Feiler , Katerina Dörner , Iñaki De Diego Martinez , Robin Schubert , Johan Bielecki , Lea Brings , Huijong Han , Konstantin Kharitonov , Chan Kim , Marco Kloos , Jayanath C. P. Koliyadu , Faisal H. M. Koua , Ekaterina Round , Abhisakh Sarma , Tokushi Sato , Christina Schmidt , Joana Valerio , Agnieszka Wrona , Joachim Schulz , Raphael De Wijn , Romain Letrun , Richard Bean , Adrian Mancuso , Karsten Heyne , Jon Hughes Nature Communications 16 DOI: 10.1038/s41467-025-60738-w Open Access Show Abstract ▼ Abstract: Phytochromes are biliprotein photoreceptors widespread amongst microorganisms and ubiquitous in plants where they control developmental processes as diverse as germination, stem elongation and floral induction through the photoconversion of inactive Pr to the Pfr signalling state. Here we report crystal structures of the chromophore-binding module of soybean phytochrome A, including ~2.2 Å XFEL structures of Pr and Pfr at ambient temperature and high resolution cryogenic structures of Pr. In the Pfr structure, the chromophore is exposed to the medium, the D-ring remaining α-facial following the likely clockwise photoflip. The chromophore shifts within its pocket, while its propionate side chains, their partners as well as three neighbouring tyrosines shift radically. Helices near the chromophore show substantial shifts that might represent components of the light signal. These changes reflect those in bacteriophytochromes despite their quite different signalling mechanisms, implying that fundamental aspects of phytochrome photoactivation have been repurposed for photoregulation in the eukaryotic plant.	Jun 2025
	Development of MHz X-ray phase contrast imaging at the European XFEL Jayanath C. P. Koliyadu , Daniel Moško , Eleni Myrto Asimakopoulou , Valerio Bellucci , Šarlota Birnšteinová , Richard Bean , Romain Letrun , Chan Kim , Henry Kirkwood , Gabriele Giovanetti , Nerea Jardon , Janusz Szuba , Trey Guest , Andreas Koch , Jan Grünert , Peter Szeles , Pablo Villanueva-Perez , Fabian Reuter , Claus-Dieter Ohl , Mike Andreas Noack , Francisco Garcia-Moreno , Zuzana Kuglerová-Valdová , Libor Juha , Martin Nikl , Wataru Yashiro , Hitoshi Soyama , Daniel Eakins , Alexander M. Korsunsky , Jozef Ulicny , Alke Meents , Henry N. Chapman , Adrian P. Mancuso , Tokushi Sato , Patrik Vagovic Journal Of Synchrotron Radiation 32 DOI: 10.1107/S160057752400986X Show Abstract ▼ Abstract: We report on recent developments that enable megahertz hard X-ray phase contrast imaging (MHz XPCI) experiments at the Single Particles, Clusters, and Biomolecules and Serial Femtosecond Crystallography (SPB/SFX) instrument of the European XFEL facility (EuXFEL). We describe the technical implementation of the key components, including an MHz fast camera and a modular indirect X-ray microscope system based on fast scintillators coupled through a high-resolution optical microscope, which enable full-field X-ray microscopy with phase contrast of fast and irreversible phenomena. The image quality for MHz XPCI data showed significant improvement compared with a pilot demonstration of the technique using parallel beam illumination, which also allows access to up to 24 keV photon energies at the SPB/SFX instrument of the EuXFEL. With these developments, MHz XPCI was implemented as a new method offered for a broad user community (academic and industrial) and is accessible via standard user proposals. Furthermore, intra-train pulse diagnostics with a high few-micrometre spatial resolution and recording up to 128 images of consecutive pulses in a train at up to 1.1 MHz repetition rate is available upstream of the instrument. Together with the diagnostic camera upstream of the instrument and the MHz XPCI setup at the SPB/SFX instrument, simultaneous two-plane measurements for future beam studies and feedback for machine parameter tuning are now possible.	Nov 2024
	Development of crystal optics for X-ray multi-projection imaging for synchrotron and XFEL sources Valerio Bellucci , Sarlota Birnsteinova , Tokushi Sato , Romain Letrun , Jayanath C. P. Koliyadu , Chan Kim , Gabriele Giovanetti , Carsten Deiter , Liubov Samoylova , Ilia Petrov , Luis Lopez Morillo , Rita Graceffa , Luigi Adriano , Helge Huelsen , Heiko Kollmann , Thu Nhi Tran Calliste , Dusan Korytar , Zdenko Zaprazny , Andrea Mazzolari , Marco Romagnoni , Eleni Myrto Asimakopoulou , Zisheng Yao , Yuhe Zhang , Jozef Ulicny , Alke Meents , Henry N. Chapman , Richard Bean , Adrian Mancuso , Pablo Villanueva-Perez , Patrik Vagovic Journal Of Synchrotron Radiation 31 DOI: 10.1107/S1600577524008488 Open Access Show Abstract ▼ Abstract: X-ray multi-projection imaging (XMPI) is an emerging experimental technique for the acquisition of rotation-free, time-resolved, volumetric information on stochastic processes. The technique is developed for high-brilliance light-source facilities, aiming to address known limitations of state-of-the-art imaging methods in the acquisition of 4D sample information, linked to their need for sample rotation. XMPI relies on a beam-splitting scheme, that illuminates a sample from multiple, angularly spaced viewpoints, and employs fast, indirect, X-ray imaging detectors for the collection of the data. This approach enables studies of previously inaccessible phenomena of industrial and societal relevance such as fractures in solids, propagation of shock waves, laser-based 3D printing, or even fast processes in the biological domain. In this work, we discuss in detail the beam-splitting scheme of XMPI. More specifically, we explore the relevant properties of X-ray splitter optics for their use in XMPI schemes, both at synchrotron insertion devices and XFEL facilities. Furthermore, we describe two distinct XMPI schemes, designed to faciliate large samples and complex sample environments. Finally, we present experimental proof of the feasibility of MHz-rate XMPI at the European XFEL. This detailed overview aims to state the challenges and the potential of XMPI and act as a stepping stone for future development of the technique.	Nov 2024
B21-High Throughput SAXS	Microsecond time-resolved X-ray scattering by utilizing MHz repetition rate at second-generation XFELs Patrick E. Konold , Leonardo Monrroy , Alfredo Bellisario , Diogo Filipe , Patrick Adams , Roberto Alvarez , Richard Bean , Johan Bielecki , Szabolcs Bódizs , Gabriel Ducrocq , Helmut Grubmueller , Richard A. Kirian , Marco Kloos , Jayanath C. P. Koliyadu , Faisal H. M. Koua , Taru Larkiala , Romain Letrun , Fredrik Lindsten , Michael Maihöfer , Andrew Martin , Petra Mészáros , Jennifer Mutisya , Amke Nimmrich , Kenta Okamoto , Adam Round , Tokushi Sato , Joana Valerio , Daniel Westphal , August Wollter , Tej Varma Yenupuri , Tong You , Filipe Maia , Sebastian Westenhoff Nature Methods 17 DOI: 10.1038/s41592-024-02344-0 Open Access Show Abstract ▼ Abstract: Detecting microsecond structural perturbations in biomolecules has wide relevance in biology, chemistry and medicine. Here we show how MHz repetition rates at X-ray free-electron lasers can be used to produce microsecond time-series of protein scattering with exceptionally low noise levels of 0.001%. We demonstrate the approach by examining Jɑ helix unfolding of a light-oxygen-voltage photosensory domain. This time-resolved acquisition strategy is easy to implement and widely applicable for direct observation of structural dynamics of many biochemical processes.	Jul 2024
	Computational study of diffraction image formation from XFEL irradiated single ribosome molecule Michal Stransky , Juncheng E , Zoltan Jurek , Robin Santra , Richard Bean , Beata Ziaja , Adrian P. Mancuso Scientific Reports 14 DOI: 10.1038/s41598-024-61314-w Open Access Show Abstract ▼ Abstract: Single particle imaging at atomic resolution is perhaps one of the most desired goals for ultrafast X-ray science with X-ray free-electron lasers. Such a capability would create great opportunity within the biological sciences, as high-resolution structural information of biosamples that may not crystallize is essential for many research areas therein. In this paper, we report on a comprehensive computational study of diffraction image formation during single particle imaging of a macromolecule, containing over one hundred thousand non-hydrogen atoms. For this study, we use a dedicated simulation framework, SIMEX, available at the European XFEL facility. Our results demonstrate the full feasibility of computational single-particle imaging studies for biological samples of realistic size. This finding is important as it shows that the SIMEX platform can be used for simulations to inform relevant single-particle-imaging experiments and help to establish optimal parameters for these experiments. This will enable more focused and more efficient single-particle-imaging experiments at XFEL facilities, making the best use of the resource-intensive XFEL operation.	May 2024
	Resolving nonequilibrium shape variations among millions of gold nanoparticles Zhou Shen , Paul Lourdu Xavier , Richard Bean , Johan Bielecki , Martin Bergemann , Benedikt Daurer , Tomas Ekeberg , Armando D. Estillore , Hans Fangohr , Klaus Giewekemeyer , Mikhail Karnevskiy , Richard A. Kirian , Henry Kirkwood , Yoonhee Kim , Jayanath C. P. Koliyadu , Holger Lange , Romain Letrun , Jannik Lübke , Abhishek Mall , Thomas Michelat , Andrew J. Morgan , Nils Roth , Amit K. Samanta , Tokushi Sato , Marcin Sikorski , Florian Schulz , Patrik Vagovic , Tamme Wollweber , Lena Worbs , Filipe Maia , Daniel A. Horke , Jochen Küpper , Adrian P. Mancuso , Henry Chapman , Kartik Ayyer , N. Duane Loh Acs Nano DOI: 10.1021/acsnano.4c00378 Open Access Show Abstract ▼ Abstract: Nanoparticles, exhibiting functionally relevant structural heterogeneity, are at the forefront of cutting-edge research. Now, high-throughput single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) creates opportunities for recovering the shape distributions of millions of particles that exhibit functionally relevant structural heterogeneity. To realize this potential, three challenges have to be overcome: (1) simultaneous parametrization of structural variability in real and reciprocal spaces; (2) efficiently inferring the latent parameters of each SPI measurement; (3) scaling up comparisons between 105 structural models and 106 XFEL-SPI measurements. Here, we describe how we overcame these three challenges to resolve the nonequilibrium shape distributions within millions of gold nanoparticles imaged at the European XFEL. These shape distributions allowed us to quantify the degree of asymmetry in these particles, discover a relatively stable “shape envelope” among nanoparticles, discern finite-size effects related to shape-controlling surfactants, and extrapolate nanoparticles’ shapes to their idealized thermodynamic limit. Ultimately, these demonstrations show that XFEL SPI can help transform nanoparticle shape characterization from anecdotally interesting to statistically meaningful.	May 2024
	Revealing the origins of vortex cavitation in a Venturi tube by high speed X-ray imaging Hitoshi Soyama , Xiaoyu Liang , Wataru Yashiro , Kentaro Kajiwara , Eleni Myrto Asimakopoulou , Valerio Bellucci , Sarlota Birnsteinova , Gabriele Giovanetti , Chan Kim , Henry J. Kirkwood , Jayanath C. P. Koliyadu , Romain Letrun , Yuhe Zhang , Jozef Ulicny , Richard Bean , Adrian P. Mancuso , Pablo Villanueva-Perez , Tokushi Sato , Patrik Vagovic , Daniel Eakins , Alexander M. Korsunsky Ultrasonics Sonochemistry 101 DOI: 10.1016/j.ultsonch.2023.106715 Open Access Show Abstract ▼ Abstract: Hydrodynamic cavitation is useful in many processing applications, for example, in chemical reactors, water treatment and biochemical engineering. An important type of hydrodynamic cavitation that occurs in a Venturi tube is vortex cavitation known to cause luminescence whose intensity is closely related to the size and number of cavitation events. However, the mechanistic origins of bubbles constituting vortex cavitation remains unclear, although it has been concluded that the pressure fields generated by the cavitation collapse strongly depends on the bubble geometry. The common view is that vortex cavitation consists of numerous small spherical bubbles. In the present paper, aspects of vortex cavitation arising in a Venturi tube were visualized using high-speed X-ray imaging at SPring-8 and European XFEL. It was discovered that vortex cavitation in a Venturi tube consisted of angulated rather than spherical bubbles. The tangential velocity of the surface of vortex cavitation was assessed considering the Rankine vortex model.	Dec 2023
	Online dynamic flat-field correction for MHz microscopy data at European XFEL Sarlota Birnsteinova , Danilo E. Ferreira De Lima , Egor Sobolev , Henry J. Kirkwood , Valerio Bellucci , Richard J. Bean , Chan Kim , Jayanath C. P. Koliyadu , Tokushi Sato , Fabio Dall'Antonia , Eleni Myrto Asimakopoulou , Zisheng Yao , Khachiwan Buakor , Yuhe Zhang , Alke Meents , Henry N. Chapman , Adrian P. Mancuso , Pablo Villanueva-Perez , Patrik Vagovic Journal Of Synchrotron Radiation 30 DOI: 10.1107/S1600577523007336 Open Access Show Abstract ▼ Abstract: The high pulse intensity and repetition rate of the European X-ray Free-Electron Laser (EuXFEL) provide superior temporal resolution compared with other X-ray sources. In combination with MHz X-ray microscopy techniques, it offers a unique opportunity to achieve superior contrast and spatial resolution in applications demanding high temporal resolution. In both live visualization and offline data analysis for microscopy experiments, baseline normalization is essential for further processing steps such as phase retrieval and modal decomposition. In addition, access to normalized projections during data acquisition can play an important role in decision-making and improve the quality of the data. However, the stochastic nature of X-ray free-electron laser sources hinders the use of standard flat-field normalization methods during MHz X-ray microscopy experiments. Here, an online (i.e. near real-time) dynamic flat-field correction method based on principal component analysis of dynamically evolving flat-field images is presented. The method is used for the normalization of individual X-ray projections and has been implemented as a near real-time analysis tool at the Single Particles, Clusters, and Biomolecules and Serial Femtosecond Crystallography (SPB/SFX) instrument of EuXFEL.	Nov 2023

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