Here you will find all scientific publications from the group leader, Daniel Horke. Articles and materials written for a more general audience can be found on the Outreach pages. Recent posters from the group are in the gallery!
Filter Publications:
2024
Roth N, Horke D A, Lübke J, Samanta A K, Estillore A D, Worbs L, Pohlman N, Ayyer K, Morgan A, Fleckenstein H, Domaracky M, Erk B, Passow C, Correa J, Yefanov O, Barty A, Bajt S, Kirian R A, Chapman H N, Küpper J
New aerodynamic lens injector for single particle diffractive imaging Journal Article
In: Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, vol. 1058, pp. 168820, 2024, ISSN: 0168-9002.
Abstract | Links | BibTeX | Altmetric | Tags: crystallography, diffractive imaging, experimental design, nanoparticles, Simulation, Single-particle imaging, XFEL
@article{ROTH2024168820,
title = {New aerodynamic lens injector for single particle diffractive imaging},
author = {Nils Roth and Daniel A. Horke and Jannik L\"{u}bke and Amit K. Samanta and Armando D. Estillore and Lena Worbs and Nicolai Pohlman and Kartik Ayyer and Andrew Morgan and Holger Fleckenstein and Martin Domaracky and Benjamin Erk and Christopher Passow and Jonathan Correa and Oleksandr Yefanov and Anton Barty and Sa\v{s}a Bajt and Richard A. Kirian and Henry N. Chapman and Jochen K\"{u}pper},
url = {https://www.sciencedirect.com/science/article/pii/S0168900223008112},
doi = {https://doi.org/10.1016/j.nima.2023.168820},
issn = {0168-9002},
year = {2024},
date = {2024-01-01},
urldate = {2024-01-01},
journal = {Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment},
volume = {1058},
pages = {168820},
abstract = {An aerodynamic lens injector was developed specifically for the needs of single-particle diffractive imaging experiments at free-electron lasers. Its design allows for quick changes of injector geometries and focusing properties in order to optimize injection for specific individual samples. Here, we present results of its first use at the FLASH free-electron-laser facility. Recorded diffraction patterns of polystyrene spheres are modeled using Mie scattering, which allowed for the characterization of the particle beam under diffractive-imaging conditions and yielded good agreement with particle-trajectory simulations. The complex refractive index of polystyrene at λ=4.5nm was determined as m=0.976−0.001i.},
keywords = {crystallography, diffractive imaging, experimental design, nanoparticles, Simulation, Single-particle imaging, XFEL},
pubstate = {published},
tppubtype = {article}
}
2018
Wiedorn M O, Oberthür D, Bean R, Schubert R, Werner N, Abbey B, Aepfelbacher M, Adriano L, Allahgholi A, Al-Qudami N, Andreasson J, Aplin S, Awel S, Ayyer K, sa Bajt S, Barák I, Bari S, Bielecki J, Botha S, Boukhelef D, Brehm W, Brockhauser S, Cheviakov I, Coleman M A, Cruz-Mazo F, Danilevski C, Darmanin C, Doak R B, Domaracky M, Dörner K, Du Y, Fangohr H, Fleckenstein H, Frank M, Fromme P, nán-Calvo A M G, Gevorkov Y, Giewekemeyer K, Ginn H M, Graafsma H, Graceffa R, Greiffenberg D, Gumprecht L, Göttlicher P, Hajdu J, Hauf S, Heymann M, Holmes S, Horke D A, Hunter M S, Imlau S, Kaukher A, Kim Y, Klyuev A, ska J K, Kobe B, Kuhn M, Kupitz C, Küpper J, Lahey-Rudolph J M, Laurus T, Cong K L, Letrun R, Xavier P L, Maia L, Maia F R N C, Mariani V, Messerschmidt M, Metz M, Mezza D, Michelat T, Mills G, Monteiro D C F, Morgan A, Mühlig K, Munke A, Münnich A, Nette J, Nugent K A, Nuguid T, Orville A M, Pandey S, Pena G, Villanueva-Perez P, Poehlsen J, Previtali G, Redecke L, Riekehr W M, Rohde H, Round A, Safenreiter T, Sarrou I, Sato T, Schmidt M, Schmitt B, Schönherr R, Schulz J, Sellberg J A, Seibert M M, Seuring C, Shelby M L, Shoeman R L, Sikorski M, Silenzi A, Stan C A, Shi X, Stern S, Sztuk-Dambietz J, Szuba J, Tolstikova A, Trebbin M, Trunk U, Vagovic P, Ve T, Weinhausen B, White T A, Wrona K, Xu C, Yefanov O, Zatsepin N, Zhang J, Perbandt M, Mancuso A P, Betzel C, Chapman H, Barty A
Megahertz Serial Crystallography Journal Article
In: Nature Comm., vol. 9, no. 1, pp. 4025, 2018, ISSN: 2041-1723.
Abstract | Links | BibTeX | Altmetric | Tags: crystallography, diffractive imaging, XFEL
@article{Wiedorn:NatureComm.9:4025,
title = {Megahertz Serial Crystallography},
author = {Max O. Wiedorn and Dominik Oberth\"{u}r and Richard Bean and Robin Schubert and Nadine Werner and Brian Abbey and Martin Aepfelbacher and Luigi Adriano and Aschkan Allahgholi and Nasser Al-Qudami and Jakob Andreasson and Steve Aplin and Salah Awel and Kartik Ayyer and Sav sa Bajt and Imrich Bar\'{a}k and Sadia Bari and Johan Bielecki and Sabine Botha and Djelloul Boukhelef and Wolfgang Brehm and Sandor Brockhauser and Igor Cheviakov and Matthew A. Coleman and Francisco Cruz-Mazo and Cyril Danilevski and Connie Darmanin and R. Bruce Doak and Martin Domaracky and Katerina D\"{o}rner and Yang Du and Hans Fangohr and Holger Fleckenstein and Matthias Frank and Petra Fromme and Alfonso M. Ga n\'{a}n-Calvo and Yaroslav Gevorkov and Klaus Giewekemeyer and Helen Mary Ginn and Heinz Graafsma and Rita Graceffa and Dominic Greiffenberg and Lars Gumprecht and Peter G\"{o}ttlicher and Janos Hajdu and Steffen Hauf and Michael Heymann and Susannah Holmes and Daniel A. Horke and Mark S. Hunter and Siegfried Imlau and Alexander Kaukher and Yoonhee Kim and Alexander Klyuev and Juraj Knov ska and Bostjan Kobe and Manuela Kuhn and Christopher Kupitz and Jochen K\"{u}pper and Janine Mia Lahey-Rudolph and Torsten Laurus and Karoline Le Cong and Romain Letrun and P. Lourdu Xavier and Luis Maia and Filipe R. N. C. Maia and Valerio Mariani and Marc Messerschmidt and Markus Metz and Davide Mezza and Thomas Michelat and Grant Mills and Diana C. F. Monteiro and Andrew Morgan and Kerstin M\"{u}hlig and Anna Munke and Astrid M\"{u}nnich and Julia Nette and Keith A. Nugent and Theresa Nuguid and Allen M. Orville and Suraj Pandey and Gisel Pena and Pablo Villanueva-Perez and Jennifer Poehlsen and Gianpietro Previtali and Lars Redecke and Winnie Maria Riekehr and Holger Rohde and Adam Round and Tatiana Safenreiter and Iosifina Sarrou and Tokushi Sato and Marius Schmidt and Bernd Schmitt and Robert Sch\"{o}nherr and Joachim Schulz and Jonas A. Sellberg and M. Marvin Seibert and Carolin Seuring and Megan L. Shelby and Robert L. Shoeman and Marcin Sikorski and Alessandro Silenzi and Claudiu A. Stan and Xintian Shi and Stephan Stern and Jola Sztuk-Dambietz and Janusz Szuba and Aleksandra Tolstikova and Martin Trebbin and Ulrich Trunk and Patrik Vagovic and Thomas Ve and Britta Weinhausen and Thomas A. White and Krzysztof Wrona and Chen Xu and Oleksandr Yefanov and Nadia Zatsepin and Jiaguo Zhang and Markus Perbandt and Adrian P. Mancuso and Christian Betzel and Henry Chapman and Anton Barty},
url = {https://www.nature.com/articles/s41467-018-06156-7},
doi = {10.1038/s41467-018-06156-7},
issn = {2041-1723},
year = {2018},
date = {2018-10-01},
urldate = {2019-01-24},
journal = {Nature Comm.},
volume = {9},
number = {1},
pages = {4025},
abstract = {The new European X-Ray Free-Electron Laser (EuXFEL) is the first XFEL that generates X-ray pulses with a megahertz inter-pulse spacing. Here the authors demonstrate that high-quality and damage-free protein structures can be obtained with the currently available 1.1 MHz repetition rate pulses using lysozyme as a test case and furthermore present a $beta$-lactamase structure.},
keywords = {crystallography, diffractive imaging, XFEL},
pubstate = {published},
tppubtype = {article}
}
Wiedorn M O, Awel S, Morgan A J, Ayyer K, Gevorkov Y, Fleckenstein H, Roth N, Adriano L, Bean R, Beyerlein K R, Chen J, Coe J, Cruz-Mazo F, Ekeberg T, Graceffa R, Heymann M, Horke D A, ska J K, Mariani V, Nazari R, Oberthür D, Samanta A K, Sierra R G, Stan C A, Yefanov O, Rompotis D, Correa J, Erk B, Treusch R, Schulz J, Hogue B G, nán-Calvo A M G, Fromme P, Küpper J, Rode A V, Bajt S, Kirian R A, Chapman H N
Rapid Sample Delivery for Megahertz Serial Crystallography at X-Ray FELs Journal Article
In: IUCrJ, vol. 5, no. 5, pp. 574–584, 2018, ISSN: 2052-2525.
Abstract | Links | BibTeX | Altmetric | Tags: crystallography, diffractive imaging, experimental design, Single-particle imaging, XFEL
@article{Wiedorn:IUCrJ5:574,
title = {Rapid Sample Delivery for Megahertz Serial Crystallography at X-Ray FELs},
author = {M. O. Wiedorn and S. Awel and A. J. Morgan and K. Ayyer and Y. Gevorkov and H. Fleckenstein and N. Roth and L. Adriano and R. Bean and K. R. Beyerlein and J. Chen and J. Coe and F. Cruz-Mazo and T. Ekeberg and R. Graceffa and M. Heymann and D. A. Horke and J. Knov ska and V. Mariani and R. Nazari and D. Oberth\"{u}r and A. K. Samanta and R. G. Sierra and C. A. Stan and O. Yefanov and D. Rompotis and J. Correa and B. Erk and R. Treusch and J. Schulz and B. G. Hogue and A. M. Ga n\'{a}n-Calvo and P. Fromme and J. K\"{u}pper and A. V. Rode and S. Bajt and R. A. Kirian and H. N. Chapman},
url = {http://scripts.iucr.org/cgi-bin/paper?it5016},
doi = {10.1107/S2052252518008369},
issn = {2052-2525},
year = {2018},
date = {2018-09-01},
urldate = {2019-01-24},
journal = {IUCrJ},
volume = {5},
number = {5},
pages = {574--584},
abstract = {Liquid microjets are a common means of delivering protein crystals to the focus of X-ray free-electron lasers (FELs) for serial femtosecond crystallography measurements. The high X-ray intensity in the focus initiates an explosion of the microjet and sample. With the advent of X-ray FELs with megahertz rates, the typical velocities of these jets must be increased significantly in order to replenish the damaged material in time for the subsequent measurement with the next X-ray pulse. This work reports the results of a megahertz serial diffraction experiment at the FLASH FEL facility using 4.3hspace0.25emnm radiation. The operation of gas-dynamic nozzles that produce liquid microjets with velocities greater than 80hspace0.25emmhspace0.25ems-1 was demonstrated. Furthermore, this article provides optical images of X-ray-induced explosions together with Bragg diffraction from protein microcrystals exposed to trains of X-ray pulses repeating at rates of up to 4.5hspace0.25emMHz. The results indicate the feasibility for megahertz serial crystallography measurements with hard X-rays and give guidance for the design of such experiments.},
keywords = {crystallography, diffractive imaging, experimental design, Single-particle imaging, XFEL},
pubstate = {published},
tppubtype = {article}
}
2017
Beyerlein K R, Dierksmeyer D, Mariani V, Kuhn M, Sarrou I, Ottaviano A, Awel S, Knoska J, Fuglerud S, Jönsson O, Stern S, Wiedorn M O, Yefanov O, Adriano L, Bean R, Burkhardt A, Fischer P, Heymann M, Horke D A, Jungnickel K E J, Kovaleva E, Lorbeer O, Metz M, Meyer J, Morgan A, Pande K, Panneerselvam S, Seuring C, Tolstikova A, Lieske J, Aplin S, Roessle M, White T A, Chapman H N, Meents A, Oberthuer D
Mix-and-Diffuse Serial Synchrotron Crystallography Journal Article
In: IUCrJ, vol. 4, no. 6, pp. 769–777, 2017, ISSN: 2052-2525.
Abstract | Links | BibTeX | Altmetric | Tags: crystallography, diffractive imaging, nanoparticles
@article{Beyerlein:IUCrJ4:769,
title = {Mix-and-Diffuse Serial Synchrotron Crystallography},
author = {K. R. Beyerlein and D. Dierksmeyer and V. Mariani and M. Kuhn and I. Sarrou and A. Ottaviano and S. Awel and J. Knoska and S. Fuglerud and O. J\"{o}nsson and S. Stern and M. O. Wiedorn and O. Yefanov and L. Adriano and R. Bean and A. Burkhardt and P. Fischer and M. Heymann and D. A. Horke and K. E. J. Jungnickel and E. Kovaleva and O. Lorbeer and M. Metz and J. Meyer and A. Morgan and K. Pande and S. Panneerselvam and C. Seuring and A. Tolstikova and J. Lieske and S. Aplin and M. Roessle and T. A. White and H. N. Chapman and A. Meents and D. Oberthuer},
url = {//scripts.iucr.org/cgi-bin/paper?ec5004},
doi = {10.1107/S2052252517013124},
issn = {2052-2525},
year = {2017},
date = {2017-11-01},
urldate = {2019-01-24},
journal = {IUCrJ},
volume = {4},
number = {6},
pages = {769--777},
abstract = {Unravelling the interaction of biological macromolecules with ligands and substrates at high spatial and temporal resolution remains a major challenge in structural biology. The development of serial crystallography methods at X-ray free-electron lasers and subsequently at synchrotron light sources allows new approaches to tackle this challenge. Here, a new polyimide tape drive designed for mix-and-diffuse serial crystallography experiments is reported. The structure of lysozyme bound by the competitive inhibitor chitotriose was determined using this device in combination with microfluidic mixers. The electron densities obtained from mixing times of 2 and 50hspace0.25ems show clear binding of chitotriose to the enzyme at a high level of detail. The success of this approach shows the potential for high-throughput drug screening and even structural enzymology on short timescales at bright synchrotron light sources.},
keywords = {crystallography, diffractive imaging, nanoparticles},
pubstate = {published},
tppubtype = {article}
}