Results 131 to 140 of about 106,055 (260)

An Interpretable PK-Informed Hybrid Model for Voriconazole Exposure Prediction: Roles of CYP2C19 Genotype and Inflammation. [PDF]

open access: yesDrug Des Devel Ther
Zhou Y   +13 more
europepmc   +1 more source

Human‐Guided Bayesian Optimization Enables High‐Throughput Laser Annealing of Mesoporous SiOx Anodes for Lithium‐Ion Batteries

open access: yesAdvanced Science, EarlyView.
An empirical‐aided active learning framework is developed to optimize high‐throughput laser‐induced photothermal annealing of silicon suboxide anodes. By integrating probabilistic machine learning with empirical domain knowledge, this approach achieves optimal electrochemical performance using limited experiments.
Chaeyoung Park   +3 more
wiley   +1 more source

Machine Learning–Guided Surface Strain Engineering in Connected Platinum–Nickel Nanoparticle Catalysts for Advanced Oxygen Reduction Performance

open access: yesAdvanced Science, EarlyView.
Machine learning‐guided strain engineering enables highly active, durable, support‐free Pt–Ni nanonetwork catalysts for the oxygen reduction reaction. Analysis of a Pt‐based catalyst dataset identifies surface compressive strain as an effective descriptor associated with enhanced activity and provided practical design guidelines.
Aparna Chitra Sudheer   +4 more
wiley   +1 more source

In Situ Profiling of Nanoscale Strains Uncovers Mechano‐Architectural Predictors of Aging and Osteoarthritis Emergence

open access: yesAdvanced Science, EarlyView.
In situ mechanical loading of osteoarthritis‐prone murine knee joints reveals that spatial alterations in subchondral plate microarchitecture precede cartilage loss and promote a shift from coordinated epiphyseal strain dissipation in healthy joints to focal subchondral strain concentration in osteoarthritis‐prone joints.
Aikta Sharma   +10 more
wiley   +1 more source

Unveiling Mechanisms of SEI Formation and Sodium Loss in Sodium Batteries via Interface Reactor Sampling

open access: yesAdvanced Science, EarlyView.
An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu   +6 more
wiley   +1 more source

Latent Diffusion Process With Mechanistic Guidance For Designing Functionally Graded Metamaterials With Perfect Connectivity

open access: yesAdvanced Science, EarlyView.
A latent diffusion‐based framework is proposed for designing functionally graded metamaterials with perfect connectivity. By integrating vector‐quantized latent representations with mechanistic guidance, the framework enables accurate inverse design toward target elastic properties.
Jongbin Yu, Dosung Lee, Namjung Kim
wiley   +1 more source

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