Results 121 to 130 of about 2,407 (170)

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

Protein Structuromics Reveals a Loop‐Controlled Half‐Open Active Pocket Conformation Throughout Fe(II)/α‐ketoglutarate‐Dependent Dioxygenase Catalytic Cycle

open access: yesAdvanced Science, EarlyView.
This study reveals a conserved half‐open active pocket in Fe(II)/α‐ketoglutarate‐dependent dioxygenases through protein structuromics, distinguished by structural features comprising highly flexible loop elements. Enhanced sampling simulations‐guided mutagenesis experiments elucidated how this flexible loop regulates pocket open/closed conformations ...
Lunjie Wu   +10 more
wiley   +1 more source

An Edible Biohybrid Platform Accomplishes In Situ Fenton‐Mediated Enteral Nanoplastics Aging and Excretion

open access: yesAdvanced Science, EarlyView.
An edible biohybrid platform triggers nanoplastics (NPs) aging and agglomeration by in situ generating hydroxyl radicals within the intestine. The enlarged NPs are unable to penetrate the intestine and are subsequently excreted. Simultaneously, probiotic biofilms reinforce the intestinal barrier.
Su Zhou   +4 more
wiley   +1 more source

Assembly theory and its relationship with computational complexity. [PDF]

open access: yesNpj Complex
Kempes CP   +6 more
europepmc   +1 more source

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

open access: yesAdvanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou   +8 more
wiley   +1 more source

Colossal Photovoltaic Current in Ferroelectric Oxide by Constructing Defect Band

open access: yesAdvanced Science, EarlyView.
Colossal photovoltaic current density of 34.36 mA/cm2 under 375 nm illumination has been achieved in the Pb‐deficient PbTiO3 film. The ultraviolet photoresponsivity surpasses that of all reported ferroelectric materials. This enhancement is attributed to the junction effect between the Pb‐deficient and non‐defective layers.
Yiran Sun   +16 more
wiley   +1 more source

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