Results 41 to 50 of about 1,868 (174)

Confinement‐Driven CO Spillover in CuAg@MSN Tandem Catalysts Boosts C2 Selectivity Toward Electrocatalytic CO2 Reduction

Advanced Science, EarlyView.
The CuAg@MSN catalyst developed in this study promotes C─C coupling by regulating the coverage of *CO intermediates through spatial confinement effects, significantly enhancing the selectivity of CO2 electroreduction for C2 product formation. ABSTRACT Tandem catalysts represent a promising paradigm for synergistic electrochemical CO2 reduction (CO2RR ...
Jiaying Zhang, Junjie Huang, Siying Zhang, Yanjia Cui, Chao Kong, Zijian Peng, Huihui Jiang, Sirui Deng, Zhuoyao Chen, Caili Yang, Ketong He, Zhen Li, Yibing Song, Gongwei Wang, Lin Zhuang   +14 more
wiley   +1 more source

Geomag Mimetic Dynamically Reconfigurable POSS Framework Enables Antifatigue Solid Electrolyte Interphases for Lithium Metal Anodes

Advanced Science, EarlyView.
A Geomag‐inspired dynamically reconfigurable POSS framework is constructed to form an antifatigue solid electrolyte interphase (SEI) for lithium metal anodes. The rigid POSS nanocages and reversible hydrogen‐bonded junctions enable adaptive stress dissipation and stable Li+ transport during repeated plating/stripping, thereby suppressing dendrite ...
Tianyi Wang, Wei Gu, Yu Liu, Di He, Zairan Xiao, Zixia Lin, Tao Huang, Jiabao Li, Hui Chong, Yaojie Lei, Xiaobo Zheng, Bing Sun, Guoxiu Wang, Chengyin Wang   +13 more
wiley   +1 more source

Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami

Advanced Science, EarlyView.
This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning, Lu Lu, Sophie Leanza, Ruike Renee Zhao   +3 more
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Wearable‐Derived Diurnal Alignment Between Physical Activity and Device Temperature Predicts Future Disease and Mortality Risk

Advanced Science, EarlyView.
Wearable‐derived diurnal alignment between physical activity and device temperature, decomposed into 24 h coupling strength (M24), phase deviation (D24), and 12 h harmonic magnitude (M12), is examined in approximately 90,000 UK Biobank participants.
Han Chen, Jiahe Wei, Jonathan Cedernaes, Christian Benedict, Athanasios Tsanas, Zhi Cao, Xiao Tan   +6 more
wiley   +1 more source

Computation‐Guided Tunnel Engineering Enhances O2 Transport and H2O2 Resistance of Fe(II)/α‐Ketoglutarate‐Dependent Dioxygenases

Advanced Science, EarlyView.
This study presents a computational tunnel engineering strategy in Fe(II)/α‐ketoglutarate‐dependent dioxygenases (αKGDs) to enhance oxygen (O2) transport, an essential molecule for αKGDs, and limit hydrogen peroxide (H2O2) entry, an inhibitor from the αKG supply system.
Huan Liu, Lunjie Wu, Liying Mao, Songyin Zhao, Hu Liu, Shiyi Xin, Donglin Zhao, Jie Gu, Yan Xu, Xinye Wang, Yao Nie   +10 more
wiley   +1 more source

Halide Perovskite: A Rich Source of Thermal Insulator

Advanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye, Bangzhi Ge, Yuan Yu, Chongjian Zhou   +3 more
wiley   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

Advanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne, Delphine Dessaux, Samuel Buchet, Lucie Barthe, Liza Ammar‐Khodja, Bessam Azizi, Valentin Durante, Gianluca Cioci, Simon de Givry, Alain Roussel, Luis F. Garcia‐Alles, Thomas Schiex, Sophie Barbe   +12 more
wiley   +1 more source

Targeted Degradation of Picornaviral 3C Protease via PROTACs Confers High Barrier to Viral Resistance and Broad‐Spectrum Antiviral Activity

Advanced Science, EarlyView.
This study reports D34 as the first PROTAC degrader that targets the 3C protease of picornaviruses. D34 effectively degrades EV71 3C protease via the ubiquitin‐proteasome pathway. More importantly, D34 exhibits a high resistance barrier and shows broad‐spectrum antiviral activity against multiple picornaviruses, highlighting its potential as a novel ...
Weilong Deng, Junyu Chen, Yingyue Pang, Yuanyuan Zhang, Siqian Chen, Guoliang You, Xiaoman Tian, Zhongxin Xu, Jing Wang, Luqing Shang   +9 more
wiley   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source