Results 131 to 140 of about 269,186 (284)

Spectral Decomposition of Chemical Semantics for Activity Cliffs‐Aware Molecular Property Prediction

Advanced Science, EarlyView.
PrismNet mimics chemical intuition by functioning as a computational prism, refracting molecular graphs into complementary semantic views and spectral frequencies. This dual‐decomposition strategy effectively captures both global topologies and subtle “activity cliff” perturbations.
Chaoyang Xie, Junhu Xu, Guangyi Huang, Shihang Wang, Mutian He, Xinyu Dong, Huiyang Hong, Xiaojun Yao, Qi Wang, Yuquan Li   +9 more
wiley   +1 more source

Atomic‐Scale Mechanisms of Multi‐Resistance States in HfOx‐Based RRAM: Evolution of Atomic Electric Fields and Oxygen Vacancies

Advanced Science, EarlyView.
Atomic‐scale mechanisms governing multilevel resistive switching in HfOx‐based RRAM are reveal through advanced TEM. Thermally driven m‐phase rotation ([101]↔[011]) enables selective oxygen vacancy migration, which reconstructs atomic electric fields and dictates conduction—from Schottky/Poole‐Frenkel emission to Ohmic transport.
Wen Sun, Yuyan Wang, Ruofei Hu, Yuyao Lu, Jun Xu, Xinyi Li, Bin Gao, He Qian, Jianshi Tang, Huaqiang Wu   +9 more
wiley   +1 more source

Origins of Graphite Resistivity: Decoupling Stacking Fault and Rotational Misorientation

Advanced Science, EarlyView.
Interfacial dislocations critically influence interlayer transport in van der Waals (vdW) materials, yet quantifying their individual contributions remains challenging. We measure graphite's c‐axis resistivity and develop a decoupling strategy, revealing a resistivity ratio of ∼4507:74:1 for rotational misorientations, stacking faults, and AB stacking,
Weipeng Chen, Fuwei Yang, Tielin Wu, Yelingyi Wang, Quanshui Zheng, Deli Peng, Zhanghui Wu   +6 more
wiley   +1 more source

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

Advanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang, Wenkai Wang, Zhenling Peng, Jianyi Yang   +3 more
wiley   +1 more source

Microscale Mapping of Fiber Strain and Damage in Composite Wrinkled Laminates Using Computed Tomography Assisted Wide‐Angle X‐Ray Scattering

Advanced Science, EarlyView.
This study combines full‐field tomography with diffraction mapping to quantify radial (ε002$\varepsilon _{002}$) and axial (ε100$\varepsilon _{100}$) lattice strain in wrinkled carbon‐fiber specimens for the first time. Radial microstrain gradients (−14.5 µεMPa$\varepsilon \mathrm{MPa}$−1) are found to signal damage‐prone zones ahead of failure, which ...
Hoang Minh Luong, James Trevarthen, Igor Dolbnya, Wadwan Singhapong, Nicholas Pilato, Richard Butler, Jiraphant Srisuriyachot, Alexander J. G. Lunt   +7 more
wiley   +1 more source

Interlayer Dzyaloshinskii–Moriya Interaction in Synthetic Ferrimagnets for Spiking Neural Networks

Advanced Science, EarlyView.
This work introduces a groundbreaking integration of asymmetric magnetic structures (synthetic ferrimagnets) and antisymmetric magnetic interaction (interlayer Dzyaloshinskii–Moriya interaction) for the first time. It addresses the critical challenge of IL‐DMI detection and shows the discovery of unprecedented analog‐like spin‐orbit torque switching ...
Shen Li, Xing Chen, Mouad Fattouhi, Tianxun Huang, Chen Lv, Mark C. H. de Jong, Pingzhi Li, Daoqian Zhu, Xiaoyang Lin, Felipe Garcia‐Sanchez, Eduardo Martinez, Stéphane Mangin, Bert Koopmans, Weisheng Zhao, Reinoud Lavrijsen   +14 more
wiley   +1 more source

Dilute but Dense – Reversible Crosslinking Enables Water‐Rich (Bio)polymer Condensates

Advanced Science, EarlyView.
Reversible crosslinking between two types of (bio)polymers drives liquid–liquid phase separation even in good solvent. The arrangement of binding motifs controls condensate formation and density, and internal network structure. Simulations and theory reveal a closed‐loop coexistence phase diagram at very low monomer concentrations and re‐entrant ...
Xinxiang Chen, Jude Ann Vishnu, Pol Besenius, Julian König, Friederike Schmid   +4 more
wiley   +1 more source

Neural Fields for Highly Accelerated 2D Cine Phase Contrast MRI

Advanced Science, EarlyView.
ABSTRACT 2D cine phase contrast (CPC) MRI provides quantitative information on blood velocity and flow within the human vasculature. However, data acquisition is time‐consuming, motivating the reconstruction of the velocity field from undersampled measurements to reduce scan times. In this work, neural fields are proposed as a continuous spatiotemporal
Pablo Arratia, Martin J. Graves, Mary McLean, Carolin Pirkl, Carola‐Bibiane Schönlieb, Timo Schirmer, Florian Wiesinger, Matthias J. Ehrhardt   +7 more
wiley   +1 more source

ZBTB21 Is a Dual Suppressor of Pyroptosis and MHC‐I Antigen Presentation That Promotes Tumor Immune Evasion

Advanced Science, EarlyView.
ZBTB21 is a transcription factor that epigenetically suppresses pyroptosis and MHC‐I antigen presentation, enabling tumor immune evasion. Genetic ablation of ZBTB21 activates pyroptotic cell death and enhances antigen presentation, recruiting CD8+ T cells to overcome immune checkpoint blockade resistance.
Lei Zhao, Linlin Sheng, Jianhao Qiu, Junjie Ma, Kai Jin, Binggong Zhao, Tianrun Miao, Jing Chen, Yehong Li, Zhan Zhang, Dongfeng Sun, Yongmeng Li, Hui Tian   +12 more
wiley   +1 more source

Beyond Sabatier: Multiplicate Spillover Phenomena for Manipulating Catalytic Dynamics in Various Electrocatalysis

Advanced Science, EarlyView.
Various spillover‐mediated electrocatalytic reactions, such as hydrogen and oxygen evolution, carbon dioxide and nitrogen reduction, and methanol oxidization reactions, are systematically summarized. Abstract Spillover phenomenon, which is characterized by the dynamic migration of active species across catalyst surfaces, provides a promising avenue to ...
Di Wang, Ziyou Dong, Qianqian Yao, Shixue Dou, Jun Mei, Ziqi Sun   +5 more
wiley   +1 more source