Results 191 to 200 of about 35,565 (288)

The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study

Advanced Science, EarlyView.
Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley   +1 more source

MEOX1 Coordinates Autocrine‐Paracrine Programs via SPHK1/S1P to Promote Lymph Node Metastasis in Ovarian Cancer

Advanced Science, EarlyView.
In ovarian cancer, MEOX1 activates the SPHK1/S1P pathway to promote both tumor progression and tumor–stroma crosstalk. MEOX1‐dependent signaling drives CAF activation, enhances VEGF‐C expression, and stimulates lymphangiogenesis, ultimately facilitating lymph node metastasis.
Jiajia Li, Xiuling Zhi, Qianhan Lin, Yating Sun, Yihua Sun, Zulimire Abudousalamu, Mengyang Xue, Chang Zheng, Xiaotian Li, Liangqing Yao, Mo Chen   +10 more
wiley   +1 more source

Isosteric Substitution Enables Rational Design of Two‐Dimensional Energetic Crystals

Advanced Science, EarlyView.
Isosteric substitution transforms a classical nitro–amine motif into two‐dimensional aminofurazans with performance beyond TATB. ABSTRACT Two‐dimensional (2D) energetic crystals dissipate mechanical insult via interlayer slip, yet their molecular design space remains narrow.
Linyuan Wen, Wentong Tu, Tao Yu, Chao Chen, Zhixiang Zhang, Zhixiang Xie, Yingzhe Liu   +6 more
wiley   +1 more source

Cross‐Modal Denoising and Integration of Spatial Multi‐Omics Data with CANDIES

Advanced Science, EarlyView.
In this paper, we introduce CANDIES, which leverages a conditional diffusion model and contrastive learning to effectively denoise and integrate spatial multi‐omics data. We conduct extensive evaluations on diverse synthetic and real datasets, CANDIES shows superior performance on various downstream tasks, including denoising, spatial domain ...
Ye Liu, Wanpeng Zou, Yuekai Li, Jiayi Wang, Mingxuan Cai, Hongmin Cai   +5 more
wiley   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Multi‐Omics Profiling Reveals Immunomodulatory and Pro‐Regenerative Effects of a Graphene Oxide–Collagen Scaffold in Massive Rotator Cuff Tears

Advanced Science, EarlyView.
A graphene oxide/collagen scaffold is developed for chronic massive rotator cuff tear repair. The scaffold improves compressive stability, supports reparative mesenchymal differentiation, and modulates the immune microenvironment. In chronic MRCT models, it reduces muscle degeneration, enhances tendon–bone regeneration, and improves functional recovery,
Renwen Wan, Yechuan Deng, Zixin Hu, Yanwei He, Xinting Feng, Jun Ma, Yisheng Chen, Zhijie Zhao, Jie Mei, Zhiheng Lin, Wei Luo, Zhengyuan Fang, Zhufeng Hu, Kunlun Feng, Xinrong Li, Dan Wu, Bowen Han, James Hoi po Hui, Xuanyong Liu, Chen Chen, Gang Chen, Shiyi Chen, Nirong Bao, Jiajun Qiu, Zhiwen Luo   +24 more
wiley   +1 more source

ContxE: Attention-based Context Aggregation for Temporal Knowledge Graph Completion

ContxE: Attention-based Context Aggregation for Temporal Knowledge Graph ...
Borui Cai (14042361), Yong Xiang (13101027), Longxiang Gao (13354656), Jiong Jin (13364769), Junfeng Wu (23234), Tom Luan (19534030)   +5 more
core  

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