Results 231 to 240 of about 36,227 (305)

Accurate prediction of activity cliff compounds based on bioactivity profiles depends on assay nearest neighbor relationships. [PDF]

J Cheminform
Abe R, Miyao T, Bajorath J.
europepmc   +1 more source

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

QSAR analysis of drugs using graph based degree based topological indices and regression models. [PDF]

Sci Rep
Mufti ZS, Kabeer A, Almehizia AA, Ganati GA.   +3 more
europepmc   +1 more source

High‐Performance, Paper‐Based Microelectronics via a Micromodular Fabrication Process

Advanced Materials Interfaces, EarlyView.
This study demonstrates high‐performance silicon micromodular transistors on cellulose nanomaterial‐coated paper, with interconnects formed via e‐jet printing. Transistors exhibit excellent electrical properties and maintain performance under applied strain.
Rebecca K. Banner, Hubert N. Elly, Kaifan Yue, Cyra Moobed, Siddharth Kurup, Daniel Aziz, Kira L. Barton, Victor Breedveld, Eric M. Vogel, Michael A. Filler   +9 more
wiley   +1 more source

Social user geolocation based on K-medoids and Gaussian Kernel graph attention network. [PDF]

Sci Rep
Jiao A, Qiao Y, Li P, Ma J, Zhu S, Wei Q, Dong Q.   +6 more
europepmc   +1 more source

Energy Band Alignment and Electro‐Optical Behavior of Nearly Unstrained Monolayer MoS2 Heterostructures With GaN

Advanced Materials Interfaces, EarlyView.
Large size (∼100 µm) monolayer MoS2 grown by LPI‐CVD on n‐GaN exhibit a high n‐type doping, very low strain, and a type‐I band alignment at MoS2/GaN interface. Photocurrent measurements under illumination with photon energies from ∼2 to ∼5 eV show superior electro‐optical performances of these MoS2/n‐GaN heterojunctions as compared to Ni/n‐GaN devices ...
Salvatore Ethan Panasci, Emanuela Schilirò, Giuseppe Greco, Patrick Fiorenza, Fabrizio Roccaforte, Fiorenza Esposito, Igor Píš, Federica Bondino, Antonino Madonia, Marco Cannas, Simonpietro Agnello, Luca Seravalli, Filippo Giannazzo   +12 more
wiley   +1 more source

Scalable multi-objective genetic algorithm for quantum circuit optimization. [PDF]

Sci Rep
Ghlib R, Bouhadouza R, Hnaien F.
europepmc   +1 more source

Two‐Way Shape Memory Polymer Composite Gripper for Adaptive Robotic Applications

Advanced Materials Technologies, EarlyView.
A two‐way shape memory polymer (SMP) composite is developed with intrinsic shape‐changing capability driven solely by temperature, eliminating external actuation loads. Embedding the SMP in a low‐stiffness elastomeric matrix enabled reversible transformations during heating and cooling cycles.
Aamna Hameed, Kamran Ahmed Khan
wiley   +1 more source

Gold Nanorods in Cardiac Millitissues: Assessing Mechanical and Contractile Dynamics in a Living Engineering Myocardium Model

Advanced Materials Technologies, EarlyView.
This study presents a novel platform for assessing the active mechanical behavior of living cardiac microbundles through localized nanoindentation, integrated with temperature regulation and dual‐camera imaging systems. The developed system enables quantitative evaluation of dynamic micromechanics in engineered cardiac tissues in vitro, offering ...
Lihua Lou, Lia Paolino, Alberto Sesena Rubfiaro, Jin He, Arvind Agarwal   +4 more
wiley   +1 more source

Transducers Across Scales and Frequencies: A System‐Level Framework for Multiphysics Integration and Co‐Design

Advanced Materials Technologies, EarlyView.
Transducers convert physical signals into electrical and optical representations, yet each mechanism is bounded by intrinsic trade‐offs across bandwidth, sensitivity, speed, and energy. This review maps transduction mechanisms across physical scale and frequency, showing how heterogeneous integration and multiphysics co‐design transform isolated ...
Aolei Xu, Mengyao Xiao, Zhouli Sui, Yinpeng Wang, Daoye Zheng, Yuxin Liu, Luwei Wang, Huajun Liu, Chengkuo Lee   +8 more
wiley   +1 more source