Results 191 to 200 of about 42,506 (260)

Interpretable Machine Learning Framework for Nb─Si Based Alloy Design with Enhanced Fracture Toughness

open access: yesAdvanced Science, EarlyView.
An interpretable machine learning framework integrating SHAP and PDP analysis identifies critical design descriptors from 139 physicochemical features for Nb─Si alloys. The framework achieves <7% prediction error and guides the discovery of Nb38.5Ti38.5Si3Zr18V2 alloy with 22.791 MPa·m1/2 fracture toughness, breaking the 20 MPa·m1/2 barrier.
Dezhi Chen   +7 more
wiley   +1 more source

High Free‐Volume Imidazole‐Based Ionomers for High‐Temperature Proton Exchange Membrane Fuel Cells

open access: yesAdvanced Science, EarlyView.
High free‐volume imidazole‐based ionomers (PF4IM‐72) enable enhanced phosphoric acid uptake and efficient proton transport, delivering peak power densities of 0.645 W cm−2 at 160 °C and 0.838 W cm−2 at 200 °C in HT‐PEMFCs. This work highlights a promising platform for next‐generation ionomers with improved high‐temperature performance and stability ...
Ge Chao   +7 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

Machine Learning Accelerated Non‐Adiabatic Molecular Dynamics Elucidates Local Polarization Effects on Non‐radiative Recombination in Halide Perovskites

open access: yesAdvanced Science, EarlyView.
This work proposes and constructs the Hefei‐NAMD‐S framework based on machine learning stacked models to investigate the relationship between local polarization and non‐radiative recombination. The results indicate that, compared with A‐site local polarization, B‐site local polarization shows a more evident association with the non‐radiative ...
Bing Yang   +13 more
wiley   +1 more source

Intramolecular Interactions between Folded and Disordered Regions Shape Ubiquilin Structure and Function

open access: yesAdvanced Science, EarlyView.
Ubiquilin (UBQLN), like many other human proteins, contains both well‐folded and disordered regions. Here, we show that intramolecular interactions between disordered regions and folded domains modulate between open and closed topologies of UBQLN proteins, altering their structure and function.
Jessica K. Niblo   +4 more
wiley   +1 more source

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