Results 191 to 200 of about 93,513 (258)

Multiscale and Multi‐Timestep Switching of Multiple Machine Learning Force Fields for Artificial Intelligence‐Driven Materials Simulations

open access: yesAdvanced Intelligent Discovery, EarlyView.
Deep Potential model switching accelerates molecular dynamics by using a faster 4 Å model for most timesteps and periodically applying a high‐accuracy 6 Å model. Validation on solid TiO2 and liquid PEG shows preserved RDF correlations and stable NPT behavior, while NVE energy‐drift analyses identify cases requiring additional validation.
Ryuya Kanda   +6 more
wiley   +1 more source

Water‐Dispersible Ruthenium Nanocatalyst for Carbonyl Reduction With D2 or T2 in Aqueous Media

open access: yesAngewandte Chemie, EarlyView.
We report the synthesis and characterization of water‐dispersible ruthenium nanoparticles that catalyze the reductive deuteration and tritiation of carbonyl compounds in aqueous media, enabling efficient access to a broad range of isotopically labeled polar molecules, including cyclic peptides, antibody‐drug conjugate linkers, pegylated derivatives ...
Elisa Martinelli   +6 more
wiley   +2 more sources

Liposomal Delivery of L‐2‐Hydroxyglutarate for Targeting Epigenetic Dysregulation in Osteoarthritis

open access: yesAdvanced NanoBiomed Research, EarlyView.
Osteoarthritis involves cartilage degeneration, inflammation, and epigenetic dysregulation. A liposomal formulation of the TET1 inhibitor L‐2‐hydroxyglutarate to overcome rapid joint clearance was developed. The formulation showed good physicochemical properties, reduced inflammatory and catabolic gene expression in chondrocytes, and alleviated ...
Denise Murgia   +10 more
wiley   +1 more source

Functional and Network PHAs via Stereoselective Polymerization and Tailored Post‐Transformation

open access: yesAngewandte Chemie, EarlyView.
Catalyst‐controlled stereoselective (co)polymerization of functionalized lactones produces vinyl‐, allyl‐, and propargyl‐functionalized PHAs with high syndiotacticity and a broad applicable temperature window, which can be further transformed into crosslinked PHA thermosets, elastic supramolecular networks, and functional grafts. ABSTRACT Incorporation
Ruirui Li   +6 more
wiley   +2 more sources

Modified Titanium Dental Implants: The Current Progress of Soft‐Tissue Integration Methods

open access: yesAdvanced NanoBiomed Research, EarlyView.
Dental implants are an established solution for tooth loss, yet achieving soft tissue integration (STI) around the transmucosal region remains a challenge. The natural tooth–gingiva interface is poorly replicated on titanium implants. This review explores surface modification strategies, ranging from surface chemistry and topography to biological ...
Daniel De Maria   +5 more
wiley   +1 more source

A Fixed‐Charge Interphase Synchronizes Ion Transport to Suppress Space‐Charge‐Driven Inefficiency Under Nanoliter Confinement

open access: yesAngewandte Chemie International Edition, EarlyView.
Electrochemical energy storage breaks down under extreme miniaturization, where interfaces and space‐charge dominate device behavior. This work introduces a fixed‐charge selective interphase (FCSI) integrated into a twin‐tube micro‐Swiss‐roll architecture.
Yaping Yan   +12 more
wiley   +1 more source

Ionic Liquid Electrolytes for Extreme Temperature Conditions: Challenges and Perspective

open access: yesAngewandte Chemie International Edition, EarlyView.
Ionic liquids (ILs) have gained great attention as safe electrolyte components in recent years. This review elucidates the temperature effects on IL‐based electrolytes from molecular configurations, physicochemical properties, and interfacial chemistry, raises the challenges and design strategies operating at low‐ and HT, providing valuable guidance ...
En Xie   +11 more
wiley   +1 more source

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