Results 91 to 100 of about 449,097 (372)

Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography

Science, 2019
Refilling the proton pump Proteins are dynamic. Rearrangements of side chains, secondary structure, and entire domains gate functional transitions on time scales ranging from picoseconds to milliseconds. Weinert et al.
T. Weinert, P. Skopintsev, D. James, F. Dworkowski, E. Panepucci, D. Kekilli, A. Furrer, Steffen Brünle, S. Mous, D. Ozerov, P. Nogly, Meitian Wang, J. Standfuss   +12 more
semanticscholar   +1 more source

Hybrid Framework Materials: Next‐Generation Engineering Materials

Advanced Engineering Materials, EarlyView.
Hybrid organic–inorganic materials merge the unique properties of organic and inorganic compounds, enabling applications in optoelectronics, gas storage, and catalysis. This review explores metal‐organic frameworks, hybrid organic–inorganic perovskites, and the emerging field of hybrid glasses, emphasizing their structures, functionalities, and ...
Jay McCarron, Bethan Turner, Lauren N. McHugh   +2 more
wiley   +1 more source

Rapid and Scalable Halosulfonylation of Strain‐Release Reagents**

Angewandte Chemie, Volume 135, Issue 3, January 16, 2023., 2023
A one‐pot halosulfonylation of strained hydrocarbons is described that proceeds under practical, scalable and mild conditions. Sulfonyl halides featuring aryl, heteroaryl and alkyl substituents are generated in situ from sulfinate salts and convenient halogen atom sources. This chemistry enables the synthesis of an array of halogen/sulfonyl‐substituted
Helena D. Pickford, Vasyl Ripenko, Ryan E. McNamee, Serhii Holovchuk, Amber L. Thompson, Russell C. Smith, Pavel K. Mykhailiuk, Edward A. Anderson   +7 more
wiley   +2 more sources

O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group [PDF]

, 2014
X-ray crystallography and solid-state NMR measurements show that protonation of a series of 1-dimethylaminonaphthalene-8-ketones leads either to O protonation with formation of a long N–C bond (1.637–1.669 Å) between peri groups, or to N protonation and ...
Allen, Andrew Jarmyn, Barbour, Bell, Chen, Claire Wilson, Clark, Coles, Dyker, Fletcher, Frey, Giavani, Gobetto, Gregory J. Rees, Gu, Gu, Hojo, Houk, John D. Wallis, John V. Hanna, Kiefl, Lari, Macrae, Martin, Mateusz B. Pitak, Meot-Ner, Murray-Rust, Nerea Mercadal, O'Leary, Penner, Rees, Schuster, Schweizer, Sheldrick, Simon J. Coles, Steiner, Stephen P. Day, Stoyanov, Taylor, Tkatchenko   +39 more
core   +2 more sources

Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists

Pharmaceutics, 2023
Selective antiadhesion antagonists of Uropathogenic Escherichia coli (UPEC) type-1 Fimbrial adhesin (FimH) are attractive alternatives for antibiotic therapies and prophylaxes against acute or recurrent urinary tract infections (UTIs) caused by UPECs.
Leila Mousavifar, Meysam Sarshar, Clarisse Bridot, Daniela Scribano, Cecilia Ambrosi, Anna Teresa Palamara, Gérard Vergoten, Benoît Roubinet, Ludovic Landemarre, Julie Bouckaert, René Roy   +10 more
doaj   +1 more source

Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

Nature Communications, 2018
Some porous crystalline solids change their structure upon guest inclusion. Unlocking the potential of these solids for a wide variety of applications requires full characterisation of the response to adsorption and the underlying framework–guest ...
C. Hobday, C. H. Woodall, Matthew J. Lennox, M. Frost, K. Kamenev, Tina Düren, C. Morrison, S. Moggach   +7 more
semanticscholar   +1 more source

Chiral Engineered Biomaterials: New Frontiers in Cellular Fate Regulation for Regenerative Medicine

Advanced Functional Materials, EarlyView.
Chiral engineered biomaterials can selectively influence cell behaviors in regenerative medicine. This review covers chiral engineered biomaterials in terms of their fabrication methods, cellular response mechanisms, and applications in directing stem cell differentiation and tissue function.
Yuwen Wang, Xin Zhang, Denghui Xie, Chunying Chen, Zhifeng Huang, Zhong Alan Li   +5 more
wiley   +1 more source

The time revolution in macromolecular crystallography

Structural Dynamics
Macromolecular crystallography has historically provided the atomic structures of proteins fundamental to cellular functions. However, the advent of cryo-electron microscopy for structure determination of large and increasingly smaller and flexible ...
Georgii Khusainov, Joerg Standfuss, Tobias Weinert   +2 more
doaj   +1 more source

Distinguishing Biologically Controlled Calcareous Biomineralization in Fossil Organisms Using Electron Backscatter Diffraction (EBSD)

Frontiers in Earth Science, 2018
Although carbonate-precipitating cyanobacteria are ubiquitous in aquatic ecosystems today, the criteria used to identify them in the geological record are subjective and rarely testable.
Jan-Filip Päßler, Emilia Jarochowska, Michel Bestmann, Axel Munnecke   +3 more
doaj   +1 more source

Quantum Crystallography: Projectors and kernel subspaces preserving N-representability [PDF]

arXiv, 2021
Consider a projector matrix P, representing the first order reduced density matrix in a basis of orthonormal atom-centric basis functions. A mathematical question arises, and that is, how to break P into its natural component kernel projector matrices, while preserving N-representability of P.
arxiv