Results 61 to 70 of about 833 (179)

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

Advanced 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, Wei Xuan Wilson Loo, Yan Shan Loo, Wen Xin Tan, Hui Xuan Lim, Huitao Liu, Chen Seng Ng   +6 more
wiley   +1 more source

Unveiling a Hidden Conversion Pathway in CoSe2 Anodes via Rationally Designed CNT‐Interwoven Hollow Carbon Microclusters for High‐Performance Potassium‐Ion Batteries

Advanced Science, EarlyView.
A rational architectural design of hierarchical, CNT‐interwoven hollow carbon microclusters unlocks and stabilizes a unique monoclinic Co3Se4‐mediated conversion–insertion pathway for potassium storage. This structural confinement effectively guides the reaction kinetics and accommodates severe mechanical strain.
Ho Rim Kim, Seohyeon Jang, Hong Geun Oh, Jaewoo Lee, Jihun Yeom, Daiha Shin, Jiung Cho, Inho Nam, Seung‐Keun Park   +8 more
wiley   +1 more source

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

Non‐Noble Metal Nanocatalysts for Hydrogen Evolution

Advanced Science, EarlyView.
Recent overviews and latest developments of diverse classes of non‐noble catalysts for application toward high‐performance photocatalysis, thermocatalytic steam reforming, and electrocatalysis. Toward sustainability objectives, several advanced characterization tools in combination with the latest breakthroughs in machine learning for material ...
Lina Jaya Diguna, Gede Herry Arum Wijaya, Md Abdul Kuddus Sheikh, Tobias Haposan, Fidelis Stefanus Hubertson Simanjuntak, Arramel Arramel, Muhammad Danang Birowosuto, Konstantin Sergeevich Novoselov   +7 more
wiley   +1 more source

Hardware‐Attentive Programmable Fourier Ptychography Enables Task‐Adaptive Label‐Free Virtual Staining

Advanced Science, EarlyView.
Task‐adaptive programmable optics enables label‐free virtual staining through optical‐attention‐guided acquisition and reconstruction. By optimizing wavelength, illumination angle, exposure time, and imaging depth, the framework learns task‐relevant optical measurements, generating clinically interpretable virtual stains with improved fidelity, non ...
Tianyue He, Wenyi Jing, Le Zhang, Qican Zhang, Tingdong Kou, Xin He, Yan Qiu, Yang Lu, Jian Cui, Yongfu Wen, Zhenrong Zheng, Hongying Zhang, Dayong Jin, Junfei Shen   +13 more
wiley   +1 more source

Exact Discrete Stochastic Simulation With Deep‐Learning‐Scale Gradient Optimization

Advanced Science, EarlyView.
A 203,796‐parameter gene regulatory network classifies handwritten digits with 98.4% accuracy using exact stochastic dynamics. The framework decouples forward simulation from backward differentiation, making continuous‐time Markov chain models compatible with deep‐learning optimization.
Jose M. G. Vilar, Leonor Saiz
wiley   +1 more source

Machine‐Learning Framework for Designing Stable Interfaces in All‐Solid‐State Lithium‐Ion Batteries

Advanced Science, EarlyView.
A data‐driven strategy is developed to discover coating materials for all‐solid‐state lithium batteries. Using calculations of interfacial reactivity, unsupervised pattern recognition, and machine‐learning prediction, the study identifies low‐reactivity compositional patterns and screens new lithium‐based oxide and polyanion candidates, extending ...
Sehyeok Park, Myeongcho Jang, Hun‐Gi Jung, Kyung Yoon Chung, Seungho Yu   +4 more
wiley   +1 more source

ROS‐Targeted Nanomotor Therapy in OA: Cartilage Protection and Pain Relief

Advanced Science, EarlyView.
ROS‐responsive NM@MET nanomotors utilize elevated ROS in osteoarthritic joints to promote deep penetration into cartilage and synovium and enable sustained metformin release. By scavenging ROS, regulating NRF2/KEAP1 signaling, protecting chondrocytes, suppressing synovial inflammation, and attenuating nociceptive signaling, NM@MET alleviates pain and ...
Meng Zheng, Changyu Liu, Qin Xia, Arndt F. Schilling, Jiawei Jiang, Renpeng Peng, Zixing Shu, Tian Ma, Danni Luo, Yaoyu Zhang, Yibo Fan, Xuyuan Zhang, Song Li, Kai Wang, Wentao Ke, Yuan Xiong, Yuanli Zhu, Fangzhi Mou, Jun Xiao, Hao Zhu   +19 more
wiley   +1 more source

Automating Chemical Reasoning in High‐Throughput Phase Identification With a Probabilistic, LLM‐Guided Framework

Advanced Science, EarlyView.
Autonomous laboratories can now synthesize materials faster than experts can interpret the resulting diffraction data. A probabilistic framework combines refinement‐fit metrics with large language model‐derived chemical reasoning to rank competing phase interpretations and flag those unsuitable for autonomous use.
Olympia Dartsi, Lauren N. Walters, Amalie E. Trewartha, Steven B. Torrisi, Amanda Volk, Liam Joyce, Gerbrand Ceder, Anubhav Jain   +7 more
wiley   +1 more source

Ultrafast Optoacoustics Reveals Intricate 3D Anisotropic Elasticity in Nanocrystalline Membranes

Advanced Science, EarlyView.
Ultrafast optoacoustic spectroscopy combined with a Sagnac interferometer enables non‐contact, simultaneous characterization of thickness and the full three‐dimensional anisotropic elastic constants in freestanding nanocrystalline copper membranes. By capturing gigahertz Lamb waves and zero‐group‐velocity resonances followed by SAFE‐GA inversion, the ...
Shuchang Zhang, Yi He, Guojie Luo, Jie Huang, Pak San Yip, Haoyu Cui, Wanglinhan Zhang, Zijian Wang, Lin Ye, Yang Lu, Zhongqing Su, Yehai Li   +11 more
wiley   +1 more source