Results 111 to 120 of about 75,494 (258)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

NIR‐II‐Trackable LYTACs Phyto‐Nanotheranostics for Source‐Microenvironment Dual‐Track ROS Regulation in Acute Gouty Arthritis

Advanced Science, EarlyView.
The TPR‐LYTACs nanomaterial offers a dual‐pathway strategy for precise gouty arthritis treatment by targeting and degrading the ROS‐producing enzyme NOX2 inside macrophages while its antioxidant core clears accumulated ROS outside. This “source inhibition and microenvironment scavenging” approach, guided by NIR‐II imaging, effectively controls local ...
Jian Zhang, Yingying Wang, Lujie Yu, Chunmei Jiang, Haoyu Liu, Yaohua Chen, Shutong Wu, Qin Liu, Lingling Wei, Xiaochun Zheng, Huifang Hao, Mengting Gao, Weiwei Kang, Rong Dai, Ziliang Zheng, Ruiping Zhang   +15 more
wiley   +1 more source

BioMedGraphica: an all-in-one platform for joint textual biomedical prior knowledge and numeric graph generation. [PDF]

Bioinformatics
Zhang H, Liang S, Xu T, Li W, Huang D, Dong Y, Li G, Miller P, Goedegebuure P, Sardiello M, Cooper J, Buchser W, Dickson P, Fields RC, Cruchaga C, Chen Y, Province M, Payne P, Li F.   +18 more
europepmc   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

Advanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram, Mohit Chakraborty, Sai Mani Kumar Devathi, B. Pabitramohan Prusty, Rohit Batra   +4 more
wiley   +1 more source

A multi-task information extraction Chinese dataset for APT cyber threat intelligence. [PDF]

Sci Data
Sun L, Xiang G, Tan Z, Guo Z, Qi R, Cao J.   +5 more
europepmc   +1 more source

3D‐Printed Magnetoelectronics for Interactive Appliances and Self‐Aware 4D‐Printed Mechatronics

Advanced Science, EarlyView.
3D‐printed magnetoelectronics integrate high‐performance magnetic field sensing directly into complex structural components. Flexible spring and cross‐shaped sensors exhibit giant magnetoimpedance and 3D Hall sensing for vector field reconstruction. Applications include smart‐home switches, robotic joysticks, volumetric magnetometers, and self‐aware 4D‐
Eduardo Sergio Oliveros‐Mata, Anna Martin Vilardell, Fabian Ganss, Christoph Leyens, Lukas Stepien, Denys Makarov   +5 more
wiley   +1 more source

Structured knowledge representation of the South China Sea: An LLM-based knowledge graph approach. [PDF]

PLoS One
Zhao R, Han Z, Liu H.
europepmc   +1 more source

Photothermal Amplification via Nanorobotic Swarming Dynamics

Advanced Science, EarlyView.
This study explores a novel approach to enhance photothermal therapy using magnetically regulated microswarms. It details the development of magnetic nanoparticles organized into dynamic structures that improve heat retention and conversion efficiency.
Qinglong Wang, Lin Su, Zhengxin Yang, Yihang Jiang, Haojin Yang, Qianqian Wang, Li Zhang, Ben Wang, Jiajia Wang   +8 more
wiley   +1 more source

Decoding enzymatic landscapes: a knowledge graph-enhanced large language model framework for microbial enzyme production and catalysis systems. [PDF]

aBIOTECH
Tong Q, Zhou L, Liu X, Liu X, Wu N, Wang Y, Luo H, Yao B, Tian J, Han D, Yan X, Guan F.   +11 more
europepmc   +1 more source

Causal‐Guided Ultra‐Long‐Term Time Series Forecasting Via Anticipated Covariates

Advanced Science, EarlyView.
Often treated as unknown, information from the future remains underutilized.We demonstrate that in a coupled dynamical system, providing the future state of the effect enables accurate forecasting of the cause for a long timesteps. A time series forecasting paradigm that introduces anticipated covariates to represent such known future states is ...
Jintong Zhao, Yufei Liu, Ruixi Huang, Zhongxue Gan, Siyang Leng   +4 more
wiley   +1 more source