Results 131 to 140 of about 2,760 (265)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
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

"A Tangible Gift of Intangible Value": The Process of Legacy Creation Among Older Adults. [PDF]

open access: yesJ Appl Gerontol
Neller SA   +5 more
europepmc   +1 more source

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

open access: yesAdvanced Science, EarlyView.
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi   +4 more
wiley   +1 more source

Surfaceome Reprogramming of Stemsomes Promotes Lung Cancer Targeting via Potentiated Receptor–Ligand Interactions

open access: yesAdvanced Science, EarlyView.
This study presents a surfaceome‐reprogramming strategy for mutation‐independent lung cancer therapy by repurposing dexamethasone to prime mesenchymal stem cell‐derived nanovesicles. The engineered vesicles leverage multi‐valent interactions mediated by upregulated adhesion proteins, EPHA2, and NOTCH3.
Geunhye Kim   +8 more
wiley   +1 more source

Learning Moisture‐Induced Damage From Vision: Diffusion Models for Real‐Time Monitoring of Additive Manufacturing Processes

open access: yesAdvanced Science, EarlyView.
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung   +4 more
wiley   +1 more source

How Proton Incorporation Reshapes Lattice Dynamics In BaSnO3‐Type Proton Conductors

open access: yesAdvanced Science, EarlyView.
Yttrium‐doped BaSnO3 exhibits isotope‐dependent changes in its low‐energy vibrational density of states upon hydration. Comparison of dry, H2O‐, and D2O‐treated samples re‐veals mass‐dependent phonon renormalization linked to proton dynamics near oxygen va‐cancies, providing experimental insight into hydrogen‐coupled lattice excitations in proton ...
Artur Braun   +9 more
wiley   +1 more source

A Phase‐Resolved Geometric Deep Learning Framework Maps Structural Determinants of Disease‐Associated Protein Aggregation and Guides Suppressor Design

open access: yesAdvanced Science, EarlyView.
SKALE 2.0 maps disease‐associated protein aggregation as a phase‐resolved structural process, linking mutation‐induced geometric perturbations to nucleation, elongation, and suppressor design. Across neurodegenerative proteins, the framework reveals cryptic aggregation vulnerabilities, separates phase‐concordant and phase‐switching mutations, and ...
Jia Shen Sio   +6 more
wiley   +1 more source

Home - About - Disclaimer - Privacy