Results 91 to 100 of about 4,136 (214)

Continuous Diffraction of Molecules and Disordered Molecular Crystals [PDF]

, 2017
The diffraction pattern of a single non-periodic compact object, such as a molecule, is continuous and is proportional to the square modulus of the Fourier transform of that object. When arrayed in a crystal, the coherent sum of the continuous diffracted
Ayyer, Kartik, Barty, Anton, Chapman, Henry N., Mariani, Valerio, Morgan, Andrew, Oberthuer, Dominik, Pande, Kanupriya, White, Thomas A., Yefanov, Oleksandr M.   +8 more
core   +3 more sources

Azaporphyrinoid‐Based Photo‐ and Electroactive Architectures for Advanced Functional Materials

Advanced Materials, EarlyView.
A long‐standing collaboration between the Torres and Guldi groups has yielded diverse azaporphyrinoid‐based donor‐acceptor nanohybrids with promising applications in solar energy conversion. This conspectus highlights key molecular platforms and structure‐function relationships that govern light and charge management, supporting the rational design of ...
Jorge Labella, Kobra Azizi, Dirk M. Guldi, Tomás Torres   +3 more
wiley   +1 more source

Guide to serial synchrotron crystallography

Current Research in Structural Biology
Serial crystallography (SX) is an emerging technique that can be used to determine the noncryogenic crystal structure of macromolecules while minimizing radiation damage.
Ki Hyun Nam
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

Collective exchange processes reveal an active site proton cage in bacteriorhodopsin [PDF]

, 2020
Proton translocation across membranes is vital to all kingdoms of life. Mechanistically, it relies on characteristic proton flows and modifications of hydrogen bonding patterns, termed protonation dynamics, which can be directly observed by fast magic ...
Brünig, Florian N., Friedrich, Daniel, Hegemann, Peter, Netz, Roland R., Nieuwkoop, Andrew J., Oschkinat, Hartmut   +5 more
core   +1 more source

Nanoscale mosaicity revealed in peptide microcrystals by scanning electron nanodiffraction. [PDF]

, 2019
Changes in lattice structure across sub-regions of protein crystals are challenging to assess when relying on whole crystal measurements. Because of this difficulty, macromolecular structure determination from protein micro and nanocrystals requires ...
Boyer, David R, Bustillo, Karen C, Ciston, Jim, Gallagher-Jones, Marcus, Glynn, Calina, Mancia, Kevin Canton, Minor, Andrew M, Ophus, Colin, Panova, Ouliana, Rodriguez, Jose A, Zee, Chih-Te   +10 more
core   +3 more sources

Serial femtosecond crystallography approaches to understanding catalysis in iron enzymes

Current Opinion in Structural Biology, 2022
Enzymes with iron-containing active sites play crucial roles in catalysing a myriad of oxidative reactions essential to aerobic life. Defining the three-dimensional structures of iron enzymes in resting, oxy-bound intermediate and substrate-bound states is particularly challenging, not least because of the extreme susceptibility of the Fe(III) and Fe ...
Jonathan A.R. Worrall, Michael A. Hough
openaire   +3 more sources

Recent structural insights into the function of copper nitrite reductases. [PDF]

, 2017
Copper nitrite reductases (CuNiR) carry out the first committed step of the denitrification pathway of the global nitrogen cycle, the reduction of nitrite (NO2(-)) to nitric oxide (NO).
Adman, Adman, Adman, Adman, Antonyuk, Antonyuk, Barrett, Beitlich, Blakeley, Boulanger, Boulanger, Boulanger, Cheung, De Marothy, Demet Kekilli, Dodd, Dodd, Eady, Eady, Ellis, Ellis, Ellis, Ellis, Fujisawa, Fukuda, Fukuda, Fukuda, Fukuda, Fukuda, Fukuda, Garman, Ghosh, Ghosh, Ghosh, Godden, Horrell, Hosseinzadeh, Hough, Hough, Hough, Jacobson, Jacobson, Kekilli, Knowles, Krzemiński, Kukimoto, Kukimoto, Lawton, Leferink, Leferink, Leferink, Li, Lintuluoto, Lintuluoto, McGeehan, Merkle, Merkle, Michael A. Hough, Michalski, Murphy, Murphy, Murphy, Nakano, Nojiri, Nojiri, Nojiri, Owen, Paraskevopoulos, Polsinelli, Richard W. Strange, Sam Horrell, Schlichting, Schlichting, Silaghi-Dumitrescu, Solomon, Solomon, Spence, Strange, Suzuki, Thomson, Tocheva, Tocheva, Tocheva, Usov, Vlasie, von Stetten, Wallace, Wijma, Zumft   +88 more
core   +1 more source

Increasing X‐ray energy improves data quality in serial crystallography

Journal of Synchrotron Radiation, EarlyView.
Advanced serial crystallography utilizing high‐energy X‐rays enhances diffraction efficiency, data quality and structural resolution under room‐temperature conditions.Serial synchrotron crystallography (SSX) enables structure determination from microcrystals under near‐physiological, room‐temperature conditions but is limited in part due to the ...
Do-Heon Gu, Danny Axford, James Beilsten-Edmands, Sofia Jaho, Robin L. Owen   +4 more
wiley   +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