Results 151 to 160 of about 27,242,528 (312)
Angewandte Chemie, EarlyView.Molecular Scissors: Oxide insertion slices the layers of MQ2 transition metal dichalcogenides (TMDs) into one‐dimensional [M3Q6] nanoribbons, giving a new family of A2Hf3Q6O (A = K, Rb, Cs; Q = S, Se) oxychalcogenides. The heteroanion‐driven dimensional reduction yields direct‐gap semiconductors with optical absorption that is tunable across the ...
Ayat Tassanov +6 more
wiley +2 more sources
Learning regime‐dependent governing equations: A symbolic decision tree approach
AIChE Journal, EarlyView.Abstract Many chemical engineering systems are governed by mechanisms that switch across operating regimes, making the data‐driven discovery of regime‐dependent governing equations essential for predictive modeling, optimization, and control. We propose symbolic decision trees for the data‐driven discovery of regime‐dependent governing equations.
Ilias Mitrai +2 more
wiley +1 more source
Design of Giant Negative Thermal Expansion Based on a Fluorite Structure
Angewandte Chemie, EarlyView.Ba[B(CN)4]2 with a fluorite structure possessing a large average atomic volume was successfully synthesized for the first time. In situ powder X‐ray diffraction measurements revealed that Ba[B(CN)4]2 exhibits giant negative thermal expansion (NTE) behavior through non‐rigid unit modes with strongly negative Grüneisen parameters.
Ayano Umakoshi +5 more
wiley +2 more sources
Cell Segmentation Beyond 2D—A Review of the State‐of‐the‐Art
Advanced Intelligent Discovery, EarlyView.Cell segmentation underpins many biological image analysis tasks, yet most deep learning methods remain limited to 2D despite the inherently 3D nature of cellular processes. This review surveys segmentation approaches beyond 2D, comparing 2.5D and fully 3D methods, analyzing 31 models and 32 volumetric datasets, and introducing a unified reference ...
Fabian Schmeisser +6 more
wiley +1 more source
On a generalization of polyhedral coherent risk measure
, 2004 A notion of the polyhedral measure, which generalizes the notion of the polyhedral coherent risk measure, is introduced. It allows within the framework of the uniform approach to study properties of wider class, which contains a number known risk ...
Кирилюк, В.С.
core +1 more source
Structure and Function of a Multi‐Megadalton Virus‐Like Proteolytic Dodecahedron
Angewandte Chemie, EarlyView.Zuzalysin, a virulence metallopeptidase of the periodontal pathogen Porphyromonas gingivalis, is secreted as a latent, flexible ≈95‐kDa monomer. Calcium triggers cysteine‐switch activation and hierarchical assembly into pentamers, bipentamers, tripentamers, and a ≈5.6‐MDa, ≈355‐Å dodecahedron. Structures at 1.8–3.6 Å reveal a virus‐sized catalytic cage
Mariusz Madej +20 more
wiley +2 more sources
The Jones Polynomial for Polyhedral Links
, 2011 National Natural Science Foundation of China [10831001]In this paper, a general approach is presented to compute the Jones polynomial of polyhedral links introduced in [18].
金贤安 +3 more
core
Harnessing Machine Learning to Understand and Design Disordered Solids
Advanced Intelligent Discovery, EarlyView.This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley +1 more source
Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs
Advanced Intelligent Discovery, EarlyView.Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal +3 more
wiley +1 more source
Angewandte Chemie, EarlyView.Linker installation in PCN‐700 provides a unique platform for precisely modulating coordination environments within a crystalline framework. By enabling controlled incorporation of diverse linkers while maintaining structural integrity, PCN‐700 offers new opportunities to unravel the fundamental principles governing coordination chemistry, including ...
Zongsu Han, Jiatong Huo, Hong‐Cai Zhou
wiley +2 more sources