Results 141 to 150 of about 5,738 (188)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

open access: yesAdvanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu   +5 more
wiley   +1 more source

Molecular Editing Reveals a Bilobalide Chemotype that Attenuates Prolyl Endopeptidase (PREP)‐Linked Neuroinflammation

open access: yesAdvanced Science, EarlyView.
Molecular editing of bilobalide uncovers BB56, a PREP‐engaging chemotype with enhanced anti‐inflammatory activity in microglia. Integrated CETSA‐MS, SAR, and pathway analyses link BB56 to attenuation of p38 MAPK/NF‐κB and NLRP3‐associated inflammatory signaling, highlighting bilobalide editing as a strategy for developing neuroinflammation‐modulating ...
Chanin Sillapachaiyaporn   +20 more
wiley   +1 more source

In Situ Stress‐Dispersing Hydrogel Millispheres via Load Redistribution to Restore Nucleus Pulposus Metabolic Homeostasis

open access: yesAdvanced Science, EarlyView.
Local stress concentration disrupts metabolic homeostasis and induces inflammation in the nucleus pulposus (NP), thereby accelerating intervertebral disc degeneration (IDD). A biomimetic HA/ChS hydrogel millimeter sphere (ChS@HM) is developed to enable synergistic stress dispersion and sustained hydration lubrication.
Ang Li   +4 more
wiley   +1 more source

Photonic‐Enabled Energy‐Efficient Transparent Neuromorphic Computing Devices: A Review

open access: yesAdvanced Science, EarlyView.
Transparent photonic neuromorphic computing devices merge optics and brain‐inspired computing to overcome von Neumann bottlenecks with ultrafast, low‐energy processing. By exploiting transparent oxides, 2D materials, phase‐change materials, and hybrid heterostructures, these platforms enable photonic synapses, memory, and logic for see‐through edge ...
Shuvaraj Ghosh   +8 more
wiley   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

open access: yesAdvanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne   +12 more
wiley   +1 more source

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