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}
}
2022
Awel S, Lavin-Varela S, Roth N, Horke D A, Rode A V, Kirian R A, Küpper J, Chapman H N
Optical Funnel to Guide and Focus Virus Particles for X-Ray Diffractive Imaging Journal Article
In: Phys. Rev. Applied, vol. 17, no. 4, pp. 044044, 2022.
Links | BibTeX | Altmetric | Tags: diffractive imaging, nanoparticles
@article{PhysRevApplied.17.044044,
title = {Optical Funnel to Guide and Focus Virus Particles for X-Ray Diffractive Imaging},
author = {Salah Awel and Sebastian Lavin-Varela and Nils Roth and Daniel A. Horke and Andrei V. Rode and Richard A. Kirian and Jochen K\"{u}pper and Henry N. Chapman},
url = {https://link.aps.org/doi/10.1103/PhysRevApplied.17.044044},
doi = {10.1103/PhysRevApplied.17.044044},
year = {2022},
date = {2022-04-01},
journal = {Phys. Rev. Applied},
volume = {17},
number = {4},
pages = {044044},
publisher = {American Physical Society},
keywords = {diffractive imaging, nanoparticles},
pubstate = {published},
tppubtype = {article}
}
Zhuang Y, Awel S, Barty A, Bean R, Bielecki J, Bergemann M, Daurer B J, Ekeberg T, Estillore A D, Fangohr H, Giewekemeyer K, Hunter M S, Karnevskiy M, Kirian R A, Kirkwood H, Kim Y, Koliyadu J, Lange H, Letrun R, Lübke J, Mall A, Michelat T, Morgan A J, Roth N, Samanta A K, Sato T, Shen Z, Sikorski M, Schulz F, Spence J C H, Vagovic P, Wollweber T, Worbs L, Xavier P L, Yefanov O, Maia F R N C, Horke D A, Küpper J, Loh N D, Mancuso A P, Chapman H N, Ayyer K
Unsupervised Learning Approaches to Characterizing Heterogeneous Samples Using X-ray Single-Particle Imaging Journal Article
In: IUCrJ, vol. 9, no. 2, pp. 204–214, 2022, ISSN: 2052-2525.
Abstract | Links | BibTeX | Altmetric | Tags: diffractive imaging, nanoparticles, Single-particle imaging, XFEL
@article{Zhuang:IUCrJ9:204,
title = {Unsupervised Learning Approaches to Characterizing Heterogeneous Samples Using X-ray Single-Particle Imaging},
author = {Yulong Zhuang and Salah Awel and Anton Barty and Richard Bean and Johan Bielecki and Martin Bergemann and Benedikt J. Daurer and Tomas Ekeberg and Armando D. Estillore and Hans Fangohr and Klaus Giewekemeyer and Mark S. Hunter and Mikhail Karnevskiy and Richard A. Kirian and Henry Kirkwood and Yoonhee Kim and Jayanath Koliyadu and Holger Lange and Romain Letrun and Jannik L\"{u}bke and Abhishek Mall and Thomas Michelat and Andrew J. Morgan and Nils Roth and Amit K. Samanta and Tokushi Sato and Zhou Shen and Marcin Sikorski and Florian Schulz and John C. H. Spence and Patrik Vagovic and Tamme Wollweber and Lena Worbs and P. Lourdu Xavier and Oleksandr Yefanov and Filipe R. N. C. Maia and Daniel A. Horke and Jochen K\"{u}pper and N. Duane Loh and Adrian P. Mancuso and Henry N. Chapman and Kartik Ayyer},
url = {https://scripts.iucr.org/cgi-bin/paper?S2052252521012707},
doi = {10.1107/S2052252521012707},
issn = {2052-2525},
year = {2022},
date = {2022-03-01},
urldate = {2022-03-14},
journal = {IUCrJ},
volume = {9},
number = {2},
pages = {204--214},
abstract = {One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand\textendash maximize\textendash compress ( EMC ) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.},
keywords = {diffractive imaging, nanoparticles, Single-particle imaging, XFEL},
pubstate = {published},
tppubtype = {article}
}
2021
Ayyer K, Xavier P L, Bielecki J, Shen Z, Daurer B J, Samanta A K, Awel S, Bean R, Barty A, Bergemann M, Ekeberg T, Estillore A D, Fangohr H, Giewekemeyer K, Hunter M S, Karnevskiy M, Kirian R A, Kirkwood H, Kim Y, Koliyadu J, Lange H, Letrun R, Lübke J, Michelat T, Morgan A J, Roth N, Sato T, Sikorski M, Schulz F, Spence J C H, Vagovic P, Wollweber T, Worbs L, Yefanov O, Zhuang Y, Maia F R N C, Horke D A, Küpper J, Loh N D, Mancuso A P, Chapman H N
3D Diffractive Imaging of Nanoparticle Ensembles Using an X-Ray Laser Journal Article
In: Optica, vol. 8, no. 1, pp. 15, 2021, ISSN: 2334-2536.
Links | BibTeX | Altmetric | Tags: diffractive imaging, nanoparticles, Single-particle imaging, XFEL
@article{Ayyer:Optica8:15,
title = {3D Diffractive Imaging of Nanoparticle Ensembles Using an X-Ray Laser},
author = {Kartik Ayyer and P. Lourdu Xavier and Johan Bielecki and Zhou Shen and Benedikt J. Daurer and Amit K. Samanta and Salah Awel and Richard Bean and Anton Barty and Martin Bergemann and Tomas Ekeberg and Armando D. Estillore and Hans Fangohr and Klaus Giewekemeyer and Mark S. Hunter and Mikhail Karnevskiy and Richard A. Kirian and Henry Kirkwood and Yoonhee Kim and Jayanath Koliyadu and Holger Lange and Romain Letrun and Jannik L\"{u}bke and Thomas Michelat and Andrew J. Morgan and Nils Roth and Tokushi Sato and Marcin Sikorski and Florian Schulz and John C. H. Spence and Patrik Vagovic and Tamme Wollweber and Lena Worbs and Oleksandr Yefanov and Yulong Zhuang and Filipe R. N. C. Maia and Daniel A. Horke and Jochen K\"{u}pper and N. Duane Loh and Adrian P. Mancuso and Henry N. Chapman},
url = {https://www.osapublishing.org/abstract.cfm?URI=optica-8-1-15},
doi = {10.1364/OPTICA.410851},
issn = {2334-2536},
year = {2021},
date = {2021-01-01},
urldate = {2021-06-21},
journal = {Optica},
volume = {8},
number = {1},
pages = {15},
keywords = {diffractive imaging, nanoparticles, Single-particle imaging, XFEL},
pubstate = {published},
tppubtype = {article}
}
2020
Sobolev E, Zolotarev S, Giewekemeyer K, Bielecki J, Okamoto K, Reddy H K N, Andreasson J, Ayyer K, Barak I, Bari S, Barty A, Bean R, Bobkov S, Chapman H N, Chojnowski G, Daurer B J, Dörner K, Ekeberg T, Flückiger L, Galzitskaya O, Gelisio L, Hauf S, Hogue B G, Horke D A, Hosseinizadeh A, Ilyin V, Jung C, Kim C, Kim Y, Kirian R A, Kirkwood H, Kulyk O, Küpper J, Letrun R, Loh N D, Lorenzen K, Messerschmidt M, Mühlig K, Ourmazd A, Raab N, Rode A V, Rose M, Round A, Sato T, Schubert R, Schwander P, Sellberg J A, Sikorski M, Silenzi A, Song C, Spence J C H, Stern S, Sztuk-Dambietz J, Teslyuk A, Timneanu N, Trebbin M, Uetrecht C, Weinhausen B, Williams G J, Xavier P L, Xu C, Vartanyants I A, Lamzin V S, Mancuso A, Maia F R N C
Megahertz Single-Particle Imaging at the European XFEL Journal Article
In: Commun Phys, vol. 3, no. 1, pp. 97, 2020, ISSN: 2399-3650.
Abstract | Links | BibTeX | Altmetric | Tags: diffractive imaging, nanoparticles, Single-particle imaging, XFEL
@article{Sobolev:CommunPhys3:97,
title = {Megahertz Single-Particle Imaging at the European XFEL},
author = {Egor Sobolev and Sergei Zolotarev and Klaus Giewekemeyer and Johan Bielecki and Kenta Okamoto and Hemanth K. N. Reddy and Jakob Andreasson and Kartik Ayyer and Imrich Barak and Sadia Bari and Anton Barty and Richard Bean and Sergey Bobkov and Henry N. Chapman and Grzegorz Chojnowski and Benedikt J. Daurer and Katerina D\"{o}rner and Tomas Ekeberg and Leonie Fl\"{u}ckiger and Oxana Galzitskaya and Luca Gelisio and Steffen Hauf and Brenda G. Hogue and Daniel A. Horke and Ahmad Hosseinizadeh and Vyacheslav Ilyin and Chulho Jung and Chan Kim and Yoonhee Kim and Richard A. Kirian and Henry Kirkwood and Olena Kulyk and Jochen K\"{u}pper and Romain Letrun and N. Duane Loh and Kristina Lorenzen and Marc Messerschmidt and Kerstin M\"{u}hlig and Abbas Ourmazd and Natascha Raab and Andrei V. Rode and Max Rose and Adam Round and Takushi Sato and Robin Schubert and Peter Schwander and Jonas A. Sellberg and Marcin Sikorski and Alessandro Silenzi and Changyong Song and John C. H. Spence and Stephan Stern and Jolanta Sztuk-Dambietz and Anthon Teslyuk and Nicusor Timneanu and Martin Trebbin and Charlotte Uetrecht and Britta Weinhausen and Garth J. Williams and P. Lourdu Xavier and Chen Xu and Ivan A. Vartanyants and Victor S. Lamzin and Adrian Mancuso and Filipe R. N. C. Maia},
url = {http://www.nature.com/articles/s42005-020-0362-y},
doi = {10.1038/s42005-020-0362-y},
issn = {2399-3650},
year = {2020},
date = {2020-12-01},
urldate = {2021-06-21},
journal = {Commun Phys},
volume = {3},
number = {1},
pages = {97},
abstract = {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.},
keywords = {diffractive imaging, nanoparticles, 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}
}
Awel S, Kirian R A, Wiedorn M O, Beyerlein K R, Roth N, Horke D A, Oberthür D, Knoska J, Mariani V, Morgan A, Adriano L, Tolstikova A, Xavier P L, Yefanov O, Aquila A, Barty A, Roy-Chowdhury S, Hunter M S, James D, Robinson J S, Weierstall U, Rode A V, Bajt S, Küpper J, Chapman H N
Femtosecond X-Ray Diffraction from an Aerosolized Beam of Protein Nanocrystals Journal Article
In: J Appl Cryst, vol. 51, no. 1, pp. 133–139, 2018, ISSN: 1600-5767.
Abstract | Links | BibTeX | Altmetric | Tags: diffractive imaging, nanoparticles, Single-particle imaging, XFEL
@article{Awel:JApplCryst51:133,
title = {Femtosecond X-Ray Diffraction from an Aerosolized Beam of Protein Nanocrystals},
author = {S. Awel and R. A. Kirian and M. O. Wiedorn and K. R. Beyerlein and N. Roth and D. A. Horke and D. Oberth\"{u}r and J. Knoska and V. Mariani and A. Morgan and L. Adriano and A. Tolstikova and P. L. Xavier and O. Yefanov and A. Aquila and A. Barty and S. Roy-Chowdhury and M. S. Hunter and D. James and J. S. Robinson and U. Weierstall and A. V. Rode and S. Bajt and J. K\"{u}pper and H. N. Chapman},
url = {http://scripts.iucr.org/cgi-bin/paper?te5021},
doi = {10.1107/S1600576717018131},
issn = {1600-5767},
year = {2018},
date = {2018-02-01},
urldate = {2019-01-24},
journal = {J Appl Cryst},
volume = {51},
number = {1},
pages = {133--139},
abstract = {High-resolution Bragg diffraction from aerosolized single granulovirus nanocrystals using an X-ray free-electron laser is demonstrated. The outer dimensions of the in-vacuum aerosol injector components are identical to conventional liquid-microjet nozzles used in serial diffraction experiments, which allows the injector to be utilized with standard mountings. As compared with liquid-jet injection, the X-ray scattering background is reduced by several orders of magnitude by the use of helium carrier gas rather than liquid. Such reduction is required for diffraction measurements of small macromolecular nanocrystals and single particles. High particle speeds are achieved, making the approach suitable for use at upcoming high-repetition-rate facilities.},
keywords = {diffractive imaging, nanoparticles, 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}
}
2016
Awel S, Kirian R A, Eckerskorn N, Wiedorn M, Horke D A, Rode A V, Küpper J, Chapman H N
Visualizing Aerosol-Particle Injection for Diffractive-Imaging Experiments Journal Article
In: Optics Express, vol. 24, no. 6, pp. 6507–6521, 2016.
Abstract | Links | BibTeX | Altmetric | Tags: diffractive imaging, experimental design, nanoparticles
@article{Awel:OpticsExpress24:6507,
title = {Visualizing Aerosol-Particle Injection for Diffractive-Imaging Experiments},
author = {Salah Awel and Richard A Kirian and Niko Eckerskorn and Max Wiedorn and Daniel A Horke and Andrei V Rode and Jochen K\"{u}pper and Henry N Chapman},
url = {http://www.osapublishing.org/viewmedia.cfm?uri=oe-24-6-6507\&seq=0\&html=true},
doi = {10.1364/OE.24.006507},
year = {2016},
date = {2016-03-01},
journal = {Optics Express},
volume = {24},
number = {6},
pages = {6507--6521},
abstract = {Delivering sub-micrometer particles to an intense x-ray focus is a crucial aspect of single-particle diffractive-imaging experiments at x-ray free-electron lasers. Enabling direct visualization of sub-micrometer aerosol particle streams without interfering with the operation of the particle injector can greatly improve the overall efficiency of single-particle imaging experiments by reducing the amount of time and sample consumed during measurements. We have developed in-situ non-destructive imaging diagnostics to aid real-time particle injector optimization and x-ray/particle-beam alignment, based on laser illumination schemes and fast imaging detectors. Our diagnostics are constructed to provide a non-invasive rapid feedback on injector performance during measurements, and have been demonstrated during diffraction measurements at the FLASH free-electron laser.},
keywords = {diffractive imaging, experimental design, nanoparticles},
pubstate = {published},
tppubtype = {article}
}
2015
Kirian R A, Awel S, Eckerskorn N, Fleckenstein H, Wiedorn M, Adriano L, Bajt S, Barthelmess M, Bean R, Beyerlein K R, Chavas L M G, Domaracky M, Heymann M, Horke D A, Knoska J, Metz M, Morgan A, Oberthuer D, Roth N, Sato T, Xavier P L, Yefanov O, Rode A V, Kupper J, Chapman H N
Simple Convergent-Nozzle Aerosol Injector for Single-Particle Diffractive Imaging with X-Ray Free-Electron Lasers Journal Article
In: Structural Dynamics, vol. 2, no. 4, pp. 041717, 2015.
Links | BibTeX | Altmetric | Tags: diffractive imaging, experimental design, nanoparticles, Single-particle imaging, XFEL
@article{Kirian:StructuralDynamics2:041717,
title = {Simple Convergent-Nozzle Aerosol Injector for Single-Particle Diffractive Imaging with X-Ray Free-Electron Lasers},
author = {R A Kirian and S Awel and N Eckerskorn and H Fleckenstein and M Wiedorn and L Adriano and S Bajt and M Barthelmess and R Bean and K R Beyerlein and L M G Chavas and M Domaracky and M Heymann and D A Horke and J Knoska and M Metz and A Morgan and D Oberthuer and N Roth and T Sato and P L Xavier and O Yefanov and A V Rode and J Kupper and H N Chapman},
url = {http://scitation.aip.org/content/aca/journal/sdy/2/4/10.1063/1.4922648},
doi = {10.1063/1.4922648},
year = {2015},
date = {2015-07-01},
journal = {Structural Dynamics},
volume = {2},
number = {4},
pages = {041717},
keywords = {diffractive imaging, experimental design, nanoparticles, Single-particle imaging, XFEL},
pubstate = {published},
tppubtype = {article}
}