Results 171 to 180 of about 252,293 (291)

Beyond d‐Band Catalysis: A Critical Review and Descriptor Framework for Rare‐Earth Engineering in Lithium–Sulfur Batteries

open access: yesAdvanced Science, EarlyView.
Rare‐earth catalysts regulate lithium–sulfur battery chemistry through f‐orbital–mediated interactions, enabling simultaneous polysulfide adsorption and catalytic conversion on conductive carbon hosts. This synergistic control suppresses the shuttle effect, accelerates redox kinetics, and guides stable Li2S nucleation, providing a mechanistic framework
Fan Wang   +5 more
wiley   +1 more source

AI‐Designed Cyclic Peptides Enable Controllable Modulation of the CD28 Immune Checkpoint

open access: yesAdvanced Science, EarlyView.
AI‐designed cyclic peptides enable controllable modulation of the CD28 immune checkpoint through reversible disruption of CD28‐CD80/CD86 interactions. The lead peptide, CIP‐3, suppresses T‐cell activation without intrinsic agonist activity, demonstrates dose‐dependent efficacy in a murine colitis model, and attenuates inflammatory cytokine production ...
Katarzyna Kuncewicz   +4 more
wiley   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

open access: yesAdvanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram   +4 more
wiley   +1 more source

Discriminator‐Guided Inverse Folding for Multi‐Property Protein Design

open access: yesAdvanced Science, EarlyView.
Discriminator‐Guided Inverse Folding (DGIF) integrates multiple property predictors trained from single‐property datasets to guide protein sequence generation from a backbone structure. DGIF enables simultaneous improvement of thermostability and solubility without requiring multi‐property annotated datasets and generates designs that move toward the ...
Yuchuan Zheng   +7 more
wiley   +1 more source

Beyond Molecular Determinism: State‐Convergent Polymerization as a Functional Design Principle Under Chemical Complexity

open access: yesAdvanced Science, EarlyView.
This work introduces state‐convergent polymerization (SCP), a polymerization framework in which chemically diverse reaction pathways converge toward a reproducible functional polymeric state rather than a defined molecular structure. Using melanin and polydopamine as exemplars, SCP explains how robust polymer functions emerge under chemical and ...
Seonki Hong
wiley   +1 more source

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