Results 41 to 50 of about 119,691 (156)

Solid solution quantification from full powder X‐ray diffraction profile: novel application of multivariate calibration

Journal of Applied Crystallography, Volume 58, Issue 5, Page 1700-1711, October 2025.
A new application of quantitative chemometric models (principal component regression and partial least‐squares regression) to powder X‐ray diffraction data is tested. The approach allows evaluation of the relative composition of solid solutions via the characteristic profile shift.
Laura Macchietti, Nicholas Kassouf, Giovanni Valenti, Dora Melucci, Fabrizia Grepioni   +4 more
wiley   +1 more source

Photocatalytic Hydrogen Production Enhanced by Copper(I) Pyridinium–Selenolate Complexes Supported on Mesoporous Titania

European Journal of Inorganic Chemistry, Volume 28, Issue 25, September 11, 2025.
Non‐noble metal complexes are employed as co‐catalysts of m‐TiO2 to improve the photocatalytic production of green hydrogen from water photolysis. Six new copper(I) pyridinium–selenolate complexes have been fully characterized and utilized for the development of photocatalysts intended for heterogeneous photocatalysis.
Leonardo Carneiro Lanes, Rodrigo Cervo, Robert Alan Burrow, Bernardo Almeida Iglesias, Natália de Freitas Daudt, Ernesto Schulz Lang, Bárbara Tirloni, Roberta Cargnelutti   +7 more
wiley   +1 more source

A high‐resolution data set of fatty acid‐binding protein structures. II. Crystallographic overview, ligand classes and binding pose

Acta Crystallographica Section D, Volume 81, Issue 8, Page 436-450, August 2025.
A high‐quality set of 229 crystal structures of various isoforms of human and mouse fatty acid‐binding proteins in apo and ligand‐bound forms is presented. Many ligands have associated affinity data, which may help in the development of affinity‐ and pose‐predicting algorithms.Fatty acid‐binding protein isoforms 4 and 5 are potential diabetes and ...
Andreas Ehler, Joerg Benz, Markus G. Rudolph   +2 more
wiley   +1 more source

Structural and Spectroscopic Trends in Alkali Tris(Acetato)Actinyl(VI) Complexes

European Journal of Inorganic Chemistry, Volume 28, Issue 19, July 12, 2025.
Alkali tris(acetato) actinyl(VI) complexes of different actinyls and identical alkali metals are mostly isostructural, showing a redshift in the symmetric actinyl stretch across the actinide series. With increasing alkali ionic radii, a progression to lower symmetry is observed that correlates with subtle changes in the electronic and vibrational ...
Julia Neumann, Emily R. Mikeska, Richard E. Wilson   +2 more
wiley   +1 more source

Apo‐state structure of the metabotropic glutamate receptor 5 transmembrane domain obtained using a photoswitchable ligand

Protein Science, Volume 34, Issue 7, July 2025.
Abstract Metabotropic glutamate receptor 5 (mGlu5) is implicated in various neurodegenerative disorders, making it an attractive drug target. Although several ligand‐bound crystal structures of mGlu5 exist, their apo‐state crystal structure remains unknown.
Yasushi Kondo, Caitlin Hatton, Robert Cheng, Matilde Trabuco, Hannah Glover, Quentin Bertrand, Fabienne Stierli, Hans‐Peter Seidel, Thomas Mason, Sivathmika Sarma, Friedjof Tellkamp, Michal Kepa, Florian Dworkowski, Pedram Mehrabi, Michael Hennig, Joerg Standfuss   +15 more
wiley   +1 more source

Analysis of β‐C‐terminal salt bridges in T‐state hemoglobin by trapping tertiary conformations in silica gels

Protein Science, Volume 34, Issue 7, July 2025.
Abstract Encapsulation of a protein in wet silica gels greatly slows its large‐scale motions, allowing the characterization of defined protein conformations during functional and spectroscopic measurements. This technique has revealed the coexistence of two or more functionally distinct tertiary conformations in T‐state human hemoglobin, but their ...
Naoya Shibayama
wiley   +1 more source

Identification, validation, and characterization of approved and investigational drugs interfering with the SARS‐CoV‐2 endoribonuclease Nsp15

Protein Science, Volume 34, Issue 6, June 2025.
Abstract Since the emergence of SARS‐CoV‐2 at the end of 2019, the virus has caused significant global health and economic disruptions. Despite the rapid development of antiviral vaccines and some approved treatments such as remdesivir and paxlovid, effective antiviral pharmacological treatments for COVID‐19 patients remain limited. This study explores
Spyros D. Chatziefthymiou, Maria Kuzikov, Sara Afandi, Greta Kovacs, Sukrit Srivastava, Andrea Zaliani, Andrey Gruzinov, Guillaume Pompidor, Michele Lunelli, Golam Rizvee Ahmed, Jörg Labahn, Johanna Hakanpää, Björn Windshügel, Michael Kolbe   +13 more
wiley   +1 more source

Project automation in CCP4 Cloud: Enabling customization and high‐throughput efficiency

Protein Science, Volume 34, Issue 6, June 2025.
Abstract The rapid advancement of automatic structure solution methods, driven by the availability of high‐quality predicted structures from AlphaFold and the growing adoption of multi‐crystal and serial experiments, has created a pressing need for streamlining routine operations, automating structure solution projects, and efficiently handling large ...
Eugene Krissinel, Maria Fando, Oleg Kovalevskiy, Ronan Keegan, Jools Wills, Andrey Lebedev, Ville Uski, Charles Ballard   +7 more
wiley   +1 more source

The varying temperature‐ and pressure‐induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7

Acta Crystallographica Section B, Volume 81, Issue 3, Page 318-324, June 2025.
The phase transitions in Sr3Sn2O7 are studied crystallographically, illustrating both the hybrid improper ferroelectric mechanism that acts in this material and the varying response of the symmetry‐breaking degrees of freedom with pressure and temperature.A variable‐temperature and pressure single‐crystal diffraction study of hybrid improper ...
Evie Ladbrook, Jeremiah P. Tidey, Fei-Ting Huang, Sang-Wook Cheong, Dominik Daisenberger, Mark R. Warren, Mark S. Senn   +6 more
wiley   +1 more source

Cohomology for Anyone

, 2003
Crystallography has proven a rich source of ideas over several centuries. Among the many ways of looking at space groups, N. David Mermin has pioneered the Fourier-space approach.
Fisher, Benji N., Huesman, John F., Rabson, David A.   +2 more
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