Results 71 to 80 of about 1,424 (160)

SPIND: a reference-based auto-indexing algorithm for sparse serial crystallography data

IUCrJ, 2019
SPIND (sparse-pattern indexing) is an auto-indexing algorithm for sparse snapshot diffraction patterns (`stills') that requires the positions of only five Bragg peaks in a single pattern, when provided with unit-cell parameters.
Chufeng Li, Xuanxuan Li, Richard Kirian, John C. H. Spence, Haiguang Liu, Nadia A. Zatsepin   +5 more
doaj   +1 more source

Pump-Probe Time-Resolved Serial Femtosecond Crystallography at X-Ray Free Electron Lasers

Crystals, 2020
With time-resolved crystallography (TRX), it is possible to follow the reaction dynamics in biological macromolecules by investigating the structure of transient states along the reaction coordinate.
Suraj Pandey, Ishwor Poudyal, Tek Narsingh Malla   +2 more
doaj   +1 more source

Origin of Enhanced Efficiency and Reduced Roll‐Off in Organic Light‐Emitting Diodes Based on Pt(II) Complexes

Advanced Science, EarlyView.
Controlled Pt–Pt fine structure in square‐planar Pt(II) complexes governs metal–metal‐to‐ligand charge‐transfer (MMLCT) state formation, exciton dynamics, and organic light‐emitting diode performance. Short Pt–Pt contacts in Pt(fppz)2 enable coherent metal–metal coupling, sub‐microsecond emission and an external quantum efficiency of 29%, whereas ...
Atul Shukla, Sarah K. M. McGregor, Julian A. Steele, Innes K. Gale, Kiyoshi Miyata, Monirul Hassan, Christian McDonald, Romain J. Lepage, Eduardo Solano, Pilankatta K. Ramya, Cherumuttathu H. Suresh, Takumi Ehara, Chihaya Adachi, Ken Onda, Shih‐Chun Lo, Ebinazar B. Namdas   +15 more
wiley   +1 more source

Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography [PDF]

Nature Communications, 2013
AbstractSerial femtosecond crystallography is an X-ray free-electron-laser-based method with considerable potential to have an impact on challenging problems in structural biology. Here we present X-ray diffraction data recorded from microcrystals of the Blastochloris viridis photosynthetic reaction centre to 2.8 Å resolution and determine its serial ...
Johansson L. C., Arnlund D., Katona G., White T. A., Barty A., Deponte D. P., Shoeman R. L., Wickstrand C., Sharma A., Williams G. J., Aquila A., Bogan M. J., Caleman C., Davidsson J., Doak R. B., Frank M., Fromme R., Galli L., Grotjohann I., Hunter M. S., Kassemeyer S., Kirian R. A., Kupitz C., Liang M., Lomb L., Malmerberg E., Martin A. V., Messerschmidt M., Nass K., Redecke L., Seibert M. M., Sjohamn J., Steinbrener J., Stellato F., Wang D., Wahlgren W. Y., Weierstall U., Westenhoff S., Zatsepin N. A., Boutet S., Spence J. C. H., Schlichting I., Chapman H. N., Fromme P., Neutze R.   +44 more
openaire   +7 more sources

Molecular filming: A director's grammar for visualizing chemistry in motion

Bulletin of the Korean Chemical Society, EarlyView.
Molecular filming names the practice, not just the product, of ultrafast structural science. In deliberate analogy to molecular editing, which rewrites connectivity in space, molecular filming records geometry in time, assembling time‐ordered structural frames into a movie of atomic motion and recasting the field as a grammar of directorial choices ...
Hyotcherl Ihee
wiley   +1 more source

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

A Review of Grain Boundaries: Formation Mechanism, Synthesis Strategy, and Application in Electrocatalysis

EcoEnergy, EarlyView.
An overview of grain boundary engineering in the field of electrocatalysis. ABSTRACT Key electrocatalytic reactions such as HER, OER, ORR, CO2RR, and NRR offer promising routes for storing renewable energy as chemical fuels. However, their widespread application is constrained due to the lack of highly active and stable catalysts. Grain boundaries (GBs)
Jingyu Gao, Fengming Zhou, Xinying Li, Ying Deng, Zexing Wu, Siyuan Feng, Yujing Zhu, Dan Zhang, Zhenyu Xiao   +8 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

A Personal Perspective on Metalloprotein Structure and the Future of Macromolecular X‐Ray Crystallography

Journal of the Chinese Chemical Society, EarlyView.
While X‐ray crystallography has been the primary method for determining the structures of metalloproteins, cryoEM has taken over this role, illustrated by [4Fe4S]‐cluster containing proteins deposited in the Protein Data Bank. What will be the role for X‐ray crystallography as cryoEM and machine learning methods dominate the initial structural analysis?
Douglas C. Rees
wiley   +1 more source

Experiencing 50 Years of Synergistic Development in Structural Biology and Enzymology

Journal of the Chinese Chemical Society, EarlyView.
Picture of Sunney Chan with Academia Sinica (AS) President James C. Liao and three Vice Presidents: Shin‐Kun Peng (left one), Tang K. Tang (right one), and Mei‐Yin Chou (right 2), taken at the annual Chinese New Year's Banquet of AS, February 7, 2025. This was likely Sunney's last appearance in formal activities of AS.
Ming‐Daw Tsai
wiley   +1 more source