Results 121 to 130 of about 7,167,833 (242)

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

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

open access: yesAdvanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su   +5 more
wiley   +1 more source

Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics‐Based Optimization with Limited Activity Data

open access: yesAdvanced Science, EarlyView.
Using a minimal set of experimentally labeled antimicrobial and non‐antimicrobial peptides, we reconstruct the effective lipid composition of a pathogenic membrane ‐demonstrated at the example of bacterial membranes‐ through a physics‐based evolutionary molecular dynamics (Evo‐MD) approach. Optimization based on peptide insertion reveals broad‐spectrum
Maximilian Krebs, Herre Jelger Risselada
wiley   +1 more source

Category Theory and Search for New Mathematical Foundations of Physics

open access: yes, 2010
The article is devoted to the analysis of known attempts to use mathematical category theory as general grounds for mathematics and physics.
openaire   +1 more source

Matrix Stiffness Enhances Odontogenic Differentiation of DPSCs through Membrane Curvature Protein Baiap2‐Modulated Exosome Release

open access: yesAdvanced Science, EarlyView.
Matrix stiffness softening is identified as a previously underappreciated feature in deep caries. Higher stiffness drives exosome release in dental pulp stem cells through a coordinated mechanism involving PI3K–AKT‐regulated Baiap2 and kinesin‐1, thereby promoting odontogenic differentiation.
Bilun Jin   +10 more
wiley   +1 more source

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