Results 31 to 40 of about 262 (196)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

Advanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano, Zihan You, Haoran Chen, Qifan Zhong, Rong‐Zhen Liao, Shaoqi Zhan   +5 more
wiley   +1 more source

Zinc Exposure Causes Disulfidptosis to Induce Miscarriage by Up‐Regulating GATA1/METTL1/SLC7A11 Axis

Advanced Science, EarlyView.
Zn exposure up‐regulates GATA1, promoting GATA1‐mediated METTL1 and SLC7A11 transcription. It also enhances METTL1‐mediated m7G modification on SLC7A11 mRNA, increasing SLC7A11 mRNA stability. Ultimately, Zn exposure up‐regulates SLC7A11 at both transcriptional and post‐transcriptional levels, causing disulfidptosis. Knockdown of murine Slc7a11, Gata1,
Wenxin Huang, Yi Sun, Yanxin Wang, Haijun Yan, Xiaoping Yue, Weidong Wu, Xueyu Chen, Jinfang Zhang, Yanbing Lin, Qiong Lei, Nan Ji, Shuaishuai Xing, Liqin Zeng, Qingzheng Kang, Depeng Zhao, Geng Guo, Huidong Zhang   +16 more
wiley   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

Unifying Composition and Process Design: A Heterogeneous Graph Neural Network for Discovering High‐Performance Cu Alloys

Advanced Science, EarlyView.
By overcoming the fixed‐path limitations of conventional machine learning, a heterogeneous graph neural network fundamentally reconstructs material data representation. Integrating variable processing sequences with intrinsic elemental features, this framework enables exploratory optimization across high‐dimensional spaces.
Jie Yin, Qian Lei, Wei Yan, Yue Li, Tong Xie, Shuang Zhou, Chong Wang, Bram Hoex, Qiang Long, Caoyang Jiang, Min Song, Zhou Li, Zhangwei Wang   +12 more
wiley   +1 more source

Phase Fraction Modulation Enhances Li+/Na+ Diffusion Disparity in Spent LiFePO4 Cathodes for Efficient Lithium Extraction from Brine

Advanced Science, EarlyView.
A direct cascaded utilization strategy for spent LiFePO4 batteries efficiently extracts lithium from brine, embodying the “urban mining” concept. Phase fraction modulation revealed its significant impact on local bond lengths of crystal structure and the Li/Na diffusion energy barrier, identifying the best material (Li0.19FePO4) for lithium extraction.
Ruiqi Yin, Qihan Huang, Jiayu Hao, Guosheng Li, Guoxing Ren, Dongfu Liu, Zhongwei Zhao, Wenhua Xu   +7 more
wiley   +1 more source

Precision Lignocellulosic Biorefinery: Process Regulation From Corn Stover to Products

Advanced Science, EarlyView.
This study presents a precision biorefinery framework that transforms corn stover into high‐value bioproducts through whole‐process regulation. Mechanical fractionation separates feedstock into parenchyma‐rich short fibers and vascular‐bundle‐dominant long fibers.
Xue‐Cheng Lin, Lan Wang, Tai‐Ran Pang, Ming‐Yuan Yin, Hong‐Zhang Chen   +4 more
wiley   +1 more source

Spatially Separated Redox Centers in One‐Dimensional Sp2‐Carbon Covalent Organic Frameworks Enable Synergistic Photocatalytic Palladium Recovery and Bisphenol A Mineralization

Advanced Science, EarlyView.
A one‐dimensional sp2‐carbon covalent organic framework with spatially segregated redox centers integrates a dual photosensitizing system and a cationic interface for synergistic photocatalysis. The material achieves exceptional palladium recovery (1749 mg g−1) and bisphenol A mineralization (0.1710 min−1) without sacrificial agents, demonstrating ...
Yi‐Ru Chen, Jing‐Yi Li, Yao Xiao, Dan Zhong, Lu Zhang, Yu‐Ting Xie, Xiu Wang, Yibao Li, Wei‐Rong Cui, Jian‐Ding Qiu   +9 more
wiley   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

Physics‐Informed Machine Learning for Sustainable Alloy Design: Toward a Recyclable Unified Q&P Steel

Advanced Science, EarlyView.
A physics‐informed property‐bridging framework links high‐throughput hardness screening to tensile performance in quenching and partitioning steels. By transferring metallurgically guided representations across properties, a single alloy composition is designed to achieve multiple strength grades through heat‐treatment tuning alone, offering a ...
Xiaolu Wei, Yong Li, Chenchong Wang, Lingyu Wang, Xiang Song, Keming Mao, Yu Zhang, Wei Xu   +7 more
wiley   +1 more source

Impurity Tolerance in LiFePO4 Cathodes: Contrasting Structural, Electronic, and Electrochemical Roles of Residual Ni and Cr

Advanced Science, EarlyView.
Impurity tolerance in LiFePO4 cathodes varies strongly with impurity type and content. Low Ni levels are accommodated within the lattice with minimal structural disruption, whereas higher Ni contents introduce antisite disorder. In contrast, Cr impurities segregate from the LiFePO4 framework, blocking lithium‐ion pathways and leading to inferior ...
Minjin Kim, Hyerin Jeon, Jinhee Lee, Jinsub Choi   +3 more
wiley   +1 more source