Results 141 to 150 of about 559 (211)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

V2CTx MXene as a Sacrificial Promoter for NiFe Catalyst for Anion Exchange Membrane Electrolyzers

Advanced Science, EarlyView.
These findings demonstrate that V2CTx functions beyond passive conductive support as an active electronic participant whose structural legacy sustains durable performance even after vanadium leaching in Anion Exchange Membrane (AEM) Electrolysers. ABSTRACT Nickel‐iron layered double hydroxides (NiFe‐LDH) show excellent activity, their poor conductivity
Bastian Schmiedecke, Can Kaplan, Karuppasamy Dharmaraj, Axel Zuber, Merve Buldu‐Aktürk, Ningjun Chen, Mailis Lounasvuori, Xuyun Guo, Valeria Nicolosi, Thorsten Schultz, Norbert Koch, Johanna Rosen, Michelle P. Browne   +12 more
wiley   +1 more source

A Data‐Driven Inverse Design Methodology for Magnetic Soft Millirobots Navigating in Confined Spaces

Advanced Science, EarlyView.
A data‐efficient inverse design framework automates the optimization of magnetic soft millirobots for confined‐space navigation. Integrating a physics‐based Cosserat rod model with Bayesian optimization efficiently identifies high‐performance geometries.
Ziyu Ren, Hong Wang, Chak Wang Tse, Yi Zheng, Xi Chen, Wenqi Hu   +5 more
wiley   +1 more source

Unidirectional Evaporation‐Induced Tunable and Continuous Gradient Composite Structure for Absorption‐Dominant Electromagnetic Interference Shielding

Advanced Science, EarlyView.
A continuous conductivity gradient is formed in a porous MXene/melamine foam via directional evaporation, thereby improving impedance matching and enhancing electromagnetic attenuation. The resulting monolithic composite delivers absorption‐dominant EMI shielding with ultralow reflection, offering a simple route toward lightweight EMI shielding ...
Dawei Zhang, Yan Zhang, Baosong Li, Abdallah Kamal, Haider Butt, Kin Liao, Lianxi Zheng   +6 more
wiley   +1 more source

ABHD17C‐Mediated S‐Depalmitoylation of BCL6B Enhances CD24 Transcription to Resist Macrophage Phagocytosis in Pancreatic Cancer

Advanced Science, EarlyView.
ABHD17C‐mediated depalmitoylation of BCL6B at Cys442 blocks its nuclear import and triggers ubiquitin‐dependent degradation, attenuating transcriptional repression of the anti‐phagocytic signal CD24. This mechanism enables pancreatic cancer cells to evade macrophage phagocytosis and fosters an immunosuppressive microenvironment.
Yalu Zhang, Di Cui, Fanzheng Meng, Xu Zhu, Liang Zhu, Liang Wu, Haifeng Hu, Jizhou Wang, Hanhui Yao, Lianxin Liu   +9 more
wiley   +1 more source

NFYB Integrates Hormonal Signals into Tissue Allometry by Promoting Protein Biosynthesis

Advanced Science, EarlyView.
In the American cockroach, NFYB acts as a spatiotemporin that translates distinct hormonal cues into tissue‐specific allometry. Juvenile hormone activates NFYB in the early fat body, while 20‐hydroxyecdysone induces it in late wing pads. NFYB then promotes protein biosynthesis via core translational machinery, driving differential growth across the ...
Fangfang Liu, Shiming Zhu, Sishi Xia, Xiaoshuai Zhang, Qin Li, Zhanquan Zeng, Yuqing Liu, Wanyin Liang, Guanyu Zhou, Erxia Du, Suning Liu, Sheng Li   +11 more
wiley   +1 more source

PlantGFM: A Genomic Foundation Model for Discovery and Creation of Plant Genes

Advanced Science, EarlyView.
A plant genomic foundation model pre‐trained on 12 species enables both accurate gene prediction and de novo gene design. Through AI‐human knowledge screening, seven designed sequences showed transcriptional activity in plants, with two expressing stable proteins—demonstrating the first DNA‐RNA‐protein expression of LLM‐generated genes in plants and ...
Changhao Li, Qizhe Zhang, Hanchen Chen, Kepeng Lin, Chengfang Luo, Mengying Yang, Wei Xu, Fan Yao, Jianbing Yan, Qing‐Yong Yang, Xuehai Hu   +10 more
wiley   +1 more source

Beyond Percolation: Graphene‐Enabled Network Reinforcement Enhances Thermal Transport in Paraffin Phase‐Change Composites

Advanced Science, EarlyView.
Expanded‐graphite/graphene‐nanoplatelet hybrids deliver a near‐order‐of‐magnitude thermal‐conductivity enhancement in paraffin phase‐change materials. A microCT‐informed 3D modeling framework resolves the percolating EG backbone and captures sub‐voxel GNP enrichment, quantitatively linking microstructure to heat flow and revealing a graphene‐enabled ...
Thomas Hoke, Jackson Hoke, Shucheng Guo, Brittany Chan, Xi Chen   +4 more
wiley   +1 more source

Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction

Advanced Science, EarlyView.
We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen, Guancen Lin, Chuan‐Shen Hu, Yong Wang   +3 more
wiley   +1 more source

How Advanced Artificial Intelligence Technologies Shape Drug–Drug and Drug–Target Interaction Modeling

Advanced Science, EarlyView.
This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley   +1 more source