Results 211 to 220 of about 452,858 (310)

Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells

open access: yesAdvanced Science, EarlyView.
A generative artificial intelligence (AI) framework combining a discriminative machine learning model (SMILES‐X) and a generative language model (GPT‐2) autonomously discovers new molecular passivators for perovskite solar cells (PSCs). Through an iterative design loop, over 100 000 candidates are generated and screened, and randomly selected molecules
Adroit T. N. Fajar   +7 more
wiley   +1 more source

Astrocytic Phenotypic Switching in Posterior Piriform Cortex Orchestrates Bone Cancer Pain–Depression Comorbidity via Purinergic–Noradrenergic Signaling

open access: yesAdvanced Science, EarlyView.
Bone cancer pain and depression share a common origin: astrocytic A2‐to‐A1 transition in the posterior piriform cortex. This phenotypic shift disrupts the ATP–adenosine–A2AR–norepinephrine axis, simultaneously driving nociceptive and affective dysfunction.
Jiang‐Ping Liu   +14 more
wiley   +1 more source

NQO1‐Mediated Anoikis Resistance and Immune Evasion Define a High‐Risk Multi‐Omic Subtype for Precision Management of T1 High‐Grade Bladder Cancer

open access: yesAdvanced Science, EarlyView.
Multi‐omic profiling of T1 high‐grade bladder cancer identifies a high‐risk subtype (T1HG1) driven by NQO1, which couples anoikis resistance with immune evasion. NQO1 orchestrates macrophage–T cell crosstalk suppression via CXCL9 modulation. Pharmacological NQO1 inhibition with skullcapflavone II enhances cisplatin efficacy, representing a promising ...
Bin Guo   +20 more
wiley   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

open access: yesAdvanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray   +3 more
wiley   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

open access: yesAdvanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu   +8 more
wiley   +1 more source

Home - About - Disclaimer - Privacy