Results 181 to 190 of about 16,021,923 (280)

Predicting the Reactivity of Acyclic Silylenes and Germylenes in Hydrogen Activation Using Machine Learning

open access: yesAdvanced Science, EarlyView.
Statistical models for the prediction of the energy profile of H2 activation by silylenes and germylenes were developed. A simple model based on increments of the elements in α‐position enabled robust energy prediction, extrapolation to new structures, and transferability to new tetrylenes and substrates.
Michelle Kleinhaus   +4 more
wiley   +1 more source

Bio‐Inspired Gradient Heterogeneous Architectures for Ultrasensitive and Robust Strain Sensors via Programmable Crack Engineering

open access: yesAdvanced Science, EarlyView.
Inspired by the insect campaniform sensillum, a heterogeneous bilayer strain sensor is developed based on a unique impedance mismatch and three‐dimensional structural dynamic percolation strategy. The sensor enables real‐time multi‐joint teleoperation of three joints and the gripper using a six‐degree‐of‐freedom robotic‐arm platform.
Qi Wu   +4 more
wiley   +1 more source

qcGEM: A Graph‐Based Molecular Representation With Quantum Chemistry Awareness

open access: yesAdvanced Science, EarlyView.
In this work, we introduce qcGEM, a quantum‐chemistry‐aware graph‐based embedding of molecules that incorporates physical priors into molecular representation learning. Through a specially designed model architecture to adequately process quantum chemistry information as well as three‐dimensional molecular geometry, qcGEM provides a compact, physics ...
Haoyu Wang   +3 more
wiley   +1 more source

Neonatal Sevoflurane Exposure Induces Long‐Term Cognitive Impairment via Epigenetically Mediated MMP9 Activation and Perineuronal Net Disruption in the Hippocampal CA2

open access: yesAdvanced Science, EarlyView.
Hippocampal CA2 perineuronal nets ensheathing excitatory pyramidal neurons are selectively vulnerable to repeated neonatal sevoflurane exposure. Epigenetic upregulation of MMP9 via reduced H3K27me3 disrupts PNN integrity, impairs BDNF–TrkB signaling, and causes synaptic protein loss and dendritic spine deficits, leading to persistent social and spatial
Lirong Liang   +11 more
wiley   +1 more source

Omnidirectional Interaction Networks Modulating Phenotypic Plasticity in the Gut Microbiota Towards Ulcerative Colitis

open access: yesAdvanced Science, EarlyView.
This study employs a spouse‐pair cohort design and an idopNetwork model that integrates evolutionary game theory, predator‐prey dynamics, and developmental modularity theory to reconstruct maximally informative microbial interaction networks. This approach reveals how interspecies interactions drive the phenotypic plasticity of the gut microbiota in ...
Huizhen Li   +15 more
wiley   +1 more source

Optimizing Cancer Vaccinations Using a Physiologically‐Based Pharmacokinetic/Pharmacodynamic (PBPK/PD) Model

open access: yesAdvanced Science, EarlyView.
Where and when should a cancer vaccine be administered? A whole‐body PBPK model demonstrates that systemic immune transport critically determines vaccination efficacy. By simulating how organ‐specific immune interactions influence treatment response, the study provides a quantitative framework for optimizing cancer vaccination strategies.
Mohammad R. Nikmaneshi   +2 more
wiley   +1 more source

An Integrated Artificial Intelligence Framework for Nanomedicine Engineering

open access: yesAdvanced Science, EarlyView.
This review outlines a closed‐loop AI ecosystem for nanomedicine engineering. By synergizing multimodal data harmonization, objective‐driven AI architectures, and automated high‐throughput validation, this “Design‐Make‐Test‐Analyze” (DMTA) workflow transforms traditional heuristic formulation into a predictive, self‐optimizing paradigm, accelerating ...
Meichen Dong   +10 more
wiley   +1 more source

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