Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar +3 more
wiley +1 more source
A Bichromophoric Triazatruxene Tetrad as a Highly Tunable Multicolor Emitter and Its Application in OLEDs. [PDF]
Vogelsang L +11 more
europepmc +1 more source
Computational Modeling of Reticular Materials: The Past, the Present, and the Future
Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman +3 more
wiley +1 more source
Covalent Organic Frameworks for Photocatalysis
This review provides an overview of recent advances in covalent organic frameworks (COFs) for photocatalysis, focusing on sustainable energy applications like water splitting, hydrogen peroxide generation, and CO2 and N2 reduction. It discusses design principles, structure‐function relationships, challenges in COF photocatalysis, and strategies to ...
Bikash Mishra +6 more
wiley +1 more source
Efficacy and Safety of Bimekizumab in Japanese Patients with Generalised Pustular Psoriasis and Erythrodermic Psoriasis: 3-Year Results from BE BRIGHT, a Multicentre, Open-Label, Phase 3 Study. [PDF]
Okubo Y +9 more
europepmc +1 more source
This review explores how in situ and operando spectroscopic techniques reveal the real‐time behavior of reticular materials, including MOFs and COFs. These methods track material formation and functionalization, structural changes, defect formation, dynamic responses to external triggers, and catalytic processes.
Bettina Baumgartner +4 more
wiley +1 more source
Kinetically controlled self-assembly of Zn-porphyrin nanostructures <i>via</i> surfactant-assisted micelle formation. [PDF]
Park YM +5 more
europepmc +1 more source
A Janus‐engineered nanoplatform (J‐pHLIP‐PD1), featuring separate tumor‐ and immune‐targeting faces, bridges melanoma cells and cytotoxic T lymphocytes using toposelective pHLIP and anti‐PD‐1 presentation. This strategy elicits robust antitumor responses, promotes immunogenic tumor cell death, suppresses lung metastasis in vivo, and provides a modular,
Alba Ortuño‐Bernal +9 more
wiley +1 more source
Organo-catalyzed photoelectrochemical ring-contraction of arylidenecyclobutanols <i>via</i> radical cation-triggered semipinacol rearrangement. [PDF]
Zheng Y +5 more
europepmc +1 more source

