Results 131 to 140 of about 208 (204)

Learning Work Function via Implicit Reasoning on Electrostatic Potential Landscapes

Advanced Science, EarlyView.
StructPot‐CLR establishes a cross‐modal contrastive learning framework that aligns the crystal structures of 2D materials with plane‐averaged electrostatic potential landscapes for physically informed work‐function prediction. The model achieves an MAE of 0.265 eV and an R2 of 0.902 on the held‐out test set while accurately preserving key morphological
Haoyu Wan, Yue Wu, Tianhao Su, Deng Pan
wiley   +1 more source

A Bioinspired, Multimodal Soft Tactile Skin with Task‐Adaptive Perception for Intelligent Robotic Manipulation

Advanced Science, EarlyView.
Perception in robotic manipulation improves through the cooperative and complementary operation of biologically inspired multimodal tactile sensors. Receptor‐specific contribution analysis identifies which sensing modalities are required for specific tactile tasks.
Yu‐Jin Lee, Hyeonung Kang, Ju Yeon Woo, Daekyum Kim, Chang‐Soo Han   +4 more
wiley   +1 more source

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

Advanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo, Qianqian Zhang, Chenhao Wang, Zhiheng Yi, Alex Jinpeng Wang, Jing Tang, Min Li   +6 more
wiley   +1 more source

Entropy‐Driven Physical Amplification in Multivalent Biosensing

Advanced Science, EarlyView.
Detecting scarce molecules usually demands enzymatic amplification such as PCR. A statistical‐mechanical theory now reveals a purely physical alternative: distributing a fixed binding strength over more linker arms exponentially lowers the concentration at which multivalent sensors switch on.
Yuhan Peng, Xiuyang Xia, Ran Ni
wiley   +1 more source

Revealing the Underlying Mechanisms in Performance Enhancement of Shellular Lattice Electrodes During Anion Exchange Membrane Water Electrolysis Process

Advanced Science, EarlyView.
Micro laser powder bed fusion enables architected nickel shellular lattice gas diffusion layers for anion exchange membrane water electrolysis. Among regular open cell geometries, the Gyroid lattice promotes bubble release, convective reactant replenishment and continuous electron transport, delivering low overpotentials, enhanced charge transfer and ...
Tianxiao Niu, Rui Li, Xiao Chen, Deyong Sun, Tianyu Gao, Junhao Ding, Shuo Qu, Xu Song   +7 more
wiley   +1 more source

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

Advanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu, Xiang Zhang, Haixia Feng, Yuquan Li, Xiaoqing Gong, Yong Liang, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source

Electrocatalytic C─C Bond Formation Via Cyanide Interception of CO2 Reduction Intermediates

Advanced Science, EarlyView.
ABSTRACT Electrochemical CO2 reduction offers a sustainable route to convert greenhouse gas into high‐value‐added chemicals, yet product distributions remain largely limited to simple C1‐C3 molecules. Here, we report a new reaction in which CO2 reduction intermediates undergo direct C‐C coupling with an external carbon nucleophile under electrochemical
Gongbo Liu, Liuru Fang, Dayu Zhu, Aimin Li, Haoming Yu, Chunlu Ding, Yuen‐Leong Chow, Mengjie Liu, Jianqi Geng, San H. Thang, Jie Zhang   +10 more
wiley   +1 more source

Dual pKa Lipid Nanoparticles for Lung‐tropic mRNA Delivery and pH‐Programmed Endosomal Escape

Advanced Science, EarlyView.
Lipid nanoparticles’ bottleneck lies in low endosomal escape efficiency and liver‐dominant delivery after intravenous administration. To overcome these limitations, we present a stepwise pH‐programmed lipid nanoparticle system enabled by our newly synthesized ionizable lipid.
Seong Gi Lim, Minju Lee, Yiming Wang, Eunjin Choi, Ji Sun Park, Kyungmin Park, Hayoung Jeon, Donghyun Kim, Donghyun Lee, Yeeun Lee, Kee‐Pyo Kim, Eunha Kim, Heebeom Koo   +12 more
wiley   +1 more source

Photoactivation‐Enabled Tunable Room‐Temperature Phosphorescence and Thermally Activated Delayed Fluorescence in Crystalline Materials

Advanced Science, EarlyView.
This work is the first to demonstrate the regulation of photoactivated room‐temperature phosphorescence (RTP) and thermally activated delayed fluorescence (TADF) in crystalline materials without any pretreatment. Furthermore, we reveal the underlying mechanisms by uncovering the role of host‐guest energy level alignment, exciton lifetime, crystallinity,
Lisha Zhang, Yongping Wu, Ihor Sahalianov, Lei Zhou, Glib Baryshnikov, Xiang Ma   +5 more
wiley   +1 more source

DyProL: Dynamic Ensemble Representation Learning for Protein–Nucleic Acid Binding Site Prediction

Advanced Science, EarlyView.
Protein function is represented as a dynamic conformational ensemble rather than a single static structure. A multi‐conformation geometric attention framework aligns, clusters, and learns representative states to capture residue‐ and ensemble‐level signals. Integrating structural dynamics improves interpretable protein‐NA binding prediction and reveals
Pengpai Li, Yiman Liu, Liya Liang, Rongming Liu   +3 more
wiley   +1 more source