Results 181 to 190 of about 8,526 (258)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

open access: yesAdvanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang   +8 more
wiley   +1 more source

V2CTx MXene as a Sacrificial Promoter for NiFe Catalyst for Anion Exchange Membrane Electrolyzers

open access: yesAdvanced Science, EarlyView.
These findings demonstrate that V2CTx functions beyond passive conductive support as an active electronic participant whose structural legacy sustains durable performance even after vanadium leaching in Anion Exchange Membrane (AEM) Electrolysers. ABSTRACT Nickel‐iron layered double hydroxides (NiFe‐LDH) show excellent activity, their poor conductivity
Bastian Schmiedecke   +12 more
wiley   +1 more source

A Data‐Driven Inverse Design Methodology for Magnetic Soft Millirobots Navigating in Confined Spaces

open access: yesAdvanced Science, EarlyView.
A data‐efficient inverse design framework automates the optimization of magnetic soft millirobots for confined‐space navigation. Integrating a physics‐based Cosserat rod model with Bayesian optimization efficiently identifies high‐performance geometries.
Ziyu Ren   +5 more
wiley   +1 more source

Dual‐Substrate Synergistic Photocatalysis: Exogenous Reagent‐Free Co‐Removal of Phenol and Cr(VI) via Electron‐Donor‐Mediated Redox Coupling over Modified Carbon Nitride

open access: yesAdvanced Science, EarlyView.
An exogenous reagent‐free dual‐substrate strategy harnesses phenol as an intrinsic electron donor to drive synchronous phenol degradation and Cr(VI) reduction over modified carbon nitride. π–π stacking and hydrogen bonding direct electron transfer to the catalyst, enriching photogenerated electrons and accelerating Cr(VI) reduction 6.4‐fold. This waste‐
Xiaoman Zhang   +9 more
wiley   +1 more source

TRIM: Simultaneous Thermometry, Ranging, and Imaging via a Monolithic Metalens

open access: yesAdvanced Science, EarlyView.
ABSTRACT While metasurfaces offer a pathway beyond the discrete architectures of conventional LWIR systems, physically fusing high‐precision thermometry and passive ranging onto a single metalens remains a formidable challenge. Here, we demonstrate a monolithic, dual‐focus metalens capable of simultaneous multidimensional sensing.
Man Yuan   +10 more
wiley   +1 more source

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