Results 31 to 40 of about 119,691 (156)

A state of a dynamic computational structure distributed in an environment: a model and its corollaries [PDF]

, 2010
Currently there is great interest in computational models consisting of underlying regular computational environments, and built on them distributed computational structures.
Kurgansky, Oleksiy
core   +1 more source

Potent Antisickling Furaldehyde Analogs for Acute Sickle Cell Therapy: Enhanced Efficacy and Intravenous Formulation Potential

ChemMedChem, EarlyView.
This study reports novel 5‐HMF analogs with potent antisickling activities. Lead compound MMA509 enhances hemoglobin oxygen affinity and prevents erythrocyte sickling. Crystal structure of hemoglobin‐MMA509 complex explains MMA509 mechanism of action. An IV formulation is successfully developed, positioning MMA509 as a promising fast‐acting treatment ...
Abdelsattar M. Omar, Moustafa E. El‐Araby, Tarek A. Ahmed, Akua K. Donkor, Albert Opare, Mohini S. Ghatge, Anfal S. Aljahdali, Rana T. Alhashimi, Trevohn N. Robinson, Benita Balogun, Mariana Macias, Salma Roland, Yan Zhang, Faik N. Musayev, Osheiza Abdulmalik, Martin K. Safo   +15 more
wiley   +1 more source

Is Captain Kirk a natural blonde? Do X-ray crystallographers dream of electron clouds? Comparing model-based inferences in science with fiction [PDF]

, 2018
Scientific models share one central characteristic with fiction: their relation to the physical world is ambiguous. It is often unclear whether an element in a model represents something in the world or presents an artifact of model building.
Barwich, Ann-Sophie
core  

Icosahedral multi-component model sets [PDF]

, 2003
A quasiperiodic packing Q of interpenetrating copies of C, most of them only partially occupied, can be defined in terms of the strip projection method for any icosahedral cluster C.
Audier M, Baake M Moody R V M de Boissieu, Cotfas N, Cotfas N, Cotfas N, Duneau M, Gratias D, Gummelt P C Janot, Katz A, Moody R V, Nicolae Cotfas, Yamamoto A, Yamamoto A   +12 more
core   +2 more sources

Differentiating between F and OH Ligands in Homologous Gold(III) Complexes beyond X‐Ray Crystallography

European Journal of Inorganic Chemistry, EarlyView.
A subtle hydrogen‐bonding lock enables the unequivocal structural differentiation between fluoride and hydroxide in the unusual couple of homologous organogold(III) complexes [PPh4][(CF3)3AuF] and [PPh4][(CF3)3Au(OH)] (see adjacent figure). The homologous fluoride and hydroxide complexes of gold(III) [PPh4][(CF3)3AuX] [X = F (1), OH (2)] have been ...
Alberto Pérez‐Bitrián, Daniel Joven‐Sancho, Miguel Baya, Antonio Martín, Jesús Orduna, Babil Menjón   +5 more
wiley   +1 more source

Series of Microporous Redox‐Active Pillared Metal–Organic Frameworks Based On Alloxazine Ligands

ChemistryOpen, EarlyView.
Two series of robust pillared metal–organic frameworks using a redoactive ligand based on alloxazine and transition metals have been evidenced by XRD. The compounds have high decomposition temperatures, and their sorption properties are measured, revealing relatively low surface areas and a moderate uptake of CO2 and C2H4 at high pressures.
Jaison Casas, Alexios I. Vicatos, Leonard J. Barbour, Nathalie Kyritsakas, Abdelaziz Jouaiti, Sylvie Ferlay   +5 more
wiley   +1 more source

Triple Calcium Binding Stoichiometry in the Monoclinic Crystal Form of Protracted Insulin

Small Structures, EarlyView.
Crystallographic analyses reveal insulin hexamers coordinated by three Ca2+ ions within the GluB13 cavity, visualized in monoclinic crystals at cryogenic and ambient conditions. This unique binding stabilizes the R6 state through inter‐subunit coordination while preserving canonical Zn2+–HisB10 interactions.
Esra Ayan, Sylvain Engilberge, Shun Yokoi, Julien Orlans, Daniele de Sanctis, Shibom Basu, Eric Rive‐Mathieu, Abdullah Kepceoglu, Ayori Mitsutake, Hasan Demirci   +9 more
wiley   +1 more source

Computing the bridge length: the key ingredient in a continuous isometry classification of periodic point sets

Acta Crystallographica Section A, EarlyView.
We describe an efficient algorithm to compute the bridge length estimating the size of a complete isoset invariant, which classifies all periodic point sets under Euclidean motion.The fundamental model of any periodic crystal is a periodic set of points at all atomic centres.
Jonathan McManus, Vitaliy Kurlin
wiley   +1 more source

Artificial intelligence streamlines scientific discovery of drug–target interactions

British Journal of Pharmacology, EarlyView.
Abstract Drug discovery is a complicated process through which new therapeutics are identified to prevent and treat specific diseases. Identification of drug–target interactions (DTIs) stands as a pivotal aspect within the realm of drug discovery and development. The traditional process of drug discovery, especially identification of DTIs, is marked by
Yuxin Yang, Feixiong Cheng
wiley   +1 more source

Menshutkin Complexes: Influence of Pnictogen, Halide, and Arene on Pn···πarene Interactions in [(PnX3)2{(2‐R‐C6H4)C2H4(2‐R‐C6H4)}]

Zeitschrift für anorganische und allgemeine Chemie, Volume 651, Issue 15, October 21, 2025.
A series of complexes consisting of pnictogen(III)‐halides and diphenylethane derivatives have been studied to investigate the influence of the pnictogen atom, the halide, and the substituent R on the organic ligand in terms of Pn···πarene distances and complex type formation, respectively. More than 100 years ago, B. N.
Sebastian Scholz, Ana‐Maria Fritzsche, Tobias Rüffer, Harald Krautscheid, Marcus Korb, Heinrich Lang, Michael Mehring   +6 more
wiley   +1 more source