Results 101 to 110 of about 3,847 (182)

Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

Nature Communications, 2020
The local X-ray-induced dynamics that occur in protein crystals during serial femtosecond crystallography (SFX) measurements at XFELs are not well understood.
Karol Nass, Alexander Gorel, Malik M. Abdullah, Andrew V. Martin, Marco Kloos, Agostino Marinelli, Andrew Aquila, Thomas R. M. Barends, Franz-Josef Decker, R. Bruce Doak, Lutz Foucar, Elisabeth Hartmann, Mario Hilpert, Mark S. Hunter, Zoltan Jurek, Jason E. Koglin, Alexander Kozlov, Alberto A. Lutman, Gabriela Nass Kovacs, Christopher M. Roome, Robert L. Shoeman, Robin Santra, Harry M. Quiney, Beata Ziaja, Sébastien Boutet, Ilme Schlichting   +25 more
doaj   +1 more source

Machine learning for ultrafast X-ray diffraction patterns on large-scale GPU clusters [PDF]

, 2014
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments.
Ekeberg, Tomas, Engblom, Stefan, Liu, Jing   +2 more
core   +1 more source

Demonstration of a diamond anvil cell platform at the Linac Coherent Light Source: capabilities and outlook

Journal of Synchrotron Radiation, Volume 33, Issue 3, Page 552-561, May 2026.
A setup for fielding high‐pressure samples contained in diamond anvil cells (DACs) at the LCLS X‐ray free electron laser is described and example powder X‐ray diffraction data are presented. Future prospects for experimental capabilities in DACs enabled by the LCLS, such as short pulse laser interactions and multiple pulse modes, are discussed.A novel ...
Mungo Frost, Nina Boiadjieva, Minkyung Han, Quynh L. Nguyen, Mengnan Wang, Hannah Bartels, Eric Galtier, Shao Xian Lee, Hemamala I. Karunadasa, Gilliss Dyer, Siegfried H. Glenzer, Wendy L. Mao, Yu Lin, Hae Ja Lee   +13 more
wiley   +1 more source

Rapid sample delivery for megahertz serial crystallography at X-ray FELs

IUCrJ, 2018
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.
Max O. Wiedorn, Salah Awel, Andrew J. Morgan, Kartik Ayyer, Yaroslav Gevorkov, Holger Fleckenstein, Nils Roth, Luigi Adriano, Richard Bean, Kenneth R. Beyerlein, Joe Chen, Jesse Coe, Francisco Cruz-Mazo, Tomas Ekeberg, Rita Graceffa, Michael Heymann, Daniel A. Horke, Juraj Knoška, Valerio Mariani, Reza Nazari, Dominik Oberthür, Amit K. Samanta, Raymond G. Sierra, Claudiu A. Stan, Oleksandr Yefanov, Dimitrios Rompotis, Jonathan Correa, Benjamin Erk, Rolf Treusch, Joachim Schulz, Brenda G. Hogue, Alfonso M. Gañán-Calvo, Petra Fromme, Jochen Küpper, Andrei V. Rode, Saša Bajt, Richard A. Kirian, Henry N. Chapman   +37 more
doaj   +1 more source

Megahertz serial crystallography [PDF]

, 2018
The new European X-ray Free-Electron Laser is the first X-ray free-electron laser capable of delivering X-ray pulses with a megahertz inter-pulse spacing, more than four orders of magnitude higher than previously possible.
Bean, Richard, Cruz-Mazo, Francisco, Gañán-Calvo, Alfonso M., Oberthür, Dominik, Wiedorn, Max O.   +4 more
core  

Magnetic interactions in thiazyl-based magnets: The role of the charge and spin densities [PDF]

, 2008
The crystal structure of the organic radical p-O2NC6F4CNSSN was determined at 20 K through a single-crystal neutron-diffraction experiment. It crystallises in the tetragonal space group P41212, unchanged from a previous single-crystal X-ray ...
Alberola Catalán, Antonio, Campo, Javier, Goeta, Andres E., Luzon, Javier, McIntyre, Garry J., Palacio, Fernando, Rawson, Jeremy M.   +6 more
core   +3 more sources

Generation and modulation of catalytically relevant states of a dye‐decolourizing peroxidase using time‐resolved serial femtosecond crystallography with drop‐on‐chip mixing and X‐ray‐driven reduction

Acta Crystallographica Section D, Volume 82, Issue 5, Page 434-445, May 2026.
We characterize the formation of a ferryl state of a dye‐decolourizing peroxidase by drop‐on‐chip serial femtosecond crystallography and also the modulation of the heme redox state using dose‐resolved serial synchrotron crystallography.Metalloenzymes containing a heme cofactor catalyse a wide range of oxidative reactions critical to life. Understanding
Marina Lučić, Johan Glerup, Pierre Aller, Danny Axford, Nicholas Devenish, Jaehyun Park, Anastasiia Shilova, Arturo Landeros de la Isla, Richard W. Strange, Tiankun Zhou, Robin L. Owen, Jonathan A. R. Worrall, Michael A. Hough   +12 more
wiley   +1 more source

Electrons and X‐rays for diffraction and imaging

Acta Crystallographica Section D, Volume 82, Issue 5, Page 446-456, May 2026.
The use of X‐rays and electrons for diffraction and imaging of soft biological samples is compared.A comparison is provided between the use of electrons and X‐rays for collecting diffraction data from small protein crystals and imaging data from cells and tissues.
Colin Nave, Pedro Nunes, Alistair Siebert   +2 more
wiley   +1 more source

Structural Mechanism of an Efficacy Photoswitch Targeting the β2‐adrenergic Receptor

Angewandte Chemie International Edition, Volume 65, Issue 18, 27 April 2026.
Time‐resolved structures from x‐ray free‐electron laser measurements combined with cellular assays demonstrate how the photoswitchable β‐blocker photoazolol‐1 acts as an efficacy switch of β2‐adrenergic receptor function. Light‐induced ligand repositioning shifts activity from inverse agonism toward neutral antagonism by altering local helical ...
Robin Stipp, Quentin Bertrand, Matilde Trabuco, Anna Duran‐Corbera, Maria Tindara Ignazzitto, Hannah Glover, Fabienne Stierli, Juanlo Catena, Melissa Carrillo, Sina Hartmann, Hans‐Peter Seidel, Matthias Mulder, Thomas Mason, Yasushi Kondo, Maximillian Wranik, Martin Appleby, Christoph Sager, Raymond Sierra, Gregory Gate, Pamela Schleissner, Xinxin Cheng, Tobias Weinert, Robert Cheng, Sandra Mous, John H. Beale, Michal Kepa, Amadeu Llebaria, Michael Hennig, Xavier Rovira, Joerg Standfuss   +29 more
wiley   +1 more source

Monitoring one-electron photo-oxidation of guanine in DNA crystals using ultrafast infrared spectroscopy [PDF]

, 2015
To understand the molecular origins of diseases caused by ultraviolet and visible light, and also to develop photodynamic therapy, it is important to resolve the mechanism of photoinduced DNA damage.
AW Parker, B Elias, C Kupitz, C Shih, CA Puckett, Christine J. Cardin, David J. Cardin, DB Bucher, ED Olmon, ES Park, Fergus E. Poynton, G Winter, GE Walrafen, GJ Ryan, GM Greetham, GM Greetham, GM Sheldrick, GN Murshudov, Graeme Winter, H Khesbak, H Niyazi, H Song, Igor V. Sazanovich, J Tenboer, JA Smith, James P. Hall, John A. Brazier, John M. Kelly, JP Hall, JP Hall, L Marcélis, LD Movsisyan, M Banyay, M Towrie, M Volk, M Volk, Michael Towrie, MR Gill, NA Smith, P Emsley, PM Keane, PM Keane, Páraic M. Keane, S Le Gac, Sarah P. Gurung, SB Zimmerman, SD Fried, SJ Devereux, Susan J. Quinn, Thorfinnur Gunnlaugsson, WJ Schreier   +50 more
core   +2 more sources