Results 61 to 70 of about 17,542 (216)
Plastin‐2 (PLS2) is identified as a dual‐function receptor on DCs that mediates both nanoparticle uptake and immunomodulation. A nanobody‐LNP platform is engineered to integrate antigen delivery with relicensing DCs. The therapeutic strategy elicits potent anti‐tumor T cell responses and leads to significant inhibition of established tumors in vivo ...
Shugang Qin +9 more
wiley +1 more source
Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells
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
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
ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals
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
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
An integrated computational screening strategy identified ursolic acid (UA) and 18β‐glycyrrhetinic acid (18βGA) as a self‐assembling food‐derived molecular pair. The resulting carrier‐free nanoparticles (UA‐18βGA) showed synergistic antiparasitic activity, reduced combined toxicity, and host‐protective anti‐inflammatory effects in zebrafish and murine ...
Shenye Qu +8 more
wiley +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
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
We used a zinc oxide–carbon composite interlayer (ZnO@C) via the electron‐beam (e‐beam) irradiation method to fabricate a cost‐effective, high‐energy‐density, anode‐free solid‐state battery. Chemical anchoring between the ZnO and carbon enabled uniform nanoscale morphology, mitigating the high surface energy of the ZnO NPs.
Joonhyeok Park +16 more
wiley +1 more source
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin +11 more
wiley +1 more source
This article is a concise review of covariant string field theory prepared for the Encyclopedia of Mathematical Physics, Elsevier (2006). Referencing follows the publisher's guidelines.
openaire +2 more sources

