Results 201 to 210 of about 423,178 (287)
Automatic Determination of Quasicrystalline Patterns from Microscopy Images
Advanced Intelligent Discovery, EarlyView.This work introduces a user‐friendly machine learning tool to automatically extract and visualize quasicrystalline tiling patterns from atomically resolved microscopy images. It uses feature clustering, nearest‐neighbor analysis, and support vector machines. The method is broadly applicable to various quasicrystalline systems and is released as part of
Tano Kim Kender +2 more
wiley +1 more source
Spatial Assembly of Mechanically Planar Chiral Rotaxanes on Rationally Designed Cavitands
Angewandte Chemie, EarlyView.A spatial molecular assembly strategy enables the synthesis of enantioenriched mechanically planar chiral rotaxanes. Inherently chiral cavitands are rationally designed to encode and transmit the stereochemical information. Predictable stereochemical induction is achieved by controlling the spatial arrangement of molecular components through ...
Liwen Xia +3 more
wiley +2 more sources
opXRD: Open Experimental Powder X‐Ray Diffraction Database
Advanced Intelligent Discovery, EarlyView.We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek +23 more
wiley +1 more source
Cooperative Brønsted Acid and Photo‐Promoted Stereoselective Synthesis of Substituted Piperidones
Angewandte Chemie, EarlyView.A Brønsted acid cooperates with a photoexcited carbonyl triplet to promote stereoselective C─C bond formation in disubstituted piperidones through a chromophore‐activator strategy. The Brønsted acid lowers the excitation energy gap, directs selective C─N bond cleavage over C─C fragmentation after H‐atom transfer, and enables enantioselective C─C bond ...
Qiupeng Peng +5 more
wiley +2 more sources
Crystallography of shadows: local disorder in intermetallic compounds [PDF]
, 2012 Yuri Grin, Yurii Prots, Horst Borrmann
openalex +1 more source
Applications of N─F─Based Reagents in the Synthesis of Organochalcogen Compounds
Asian Journal of Organic Chemistry, EarlyView.Herein, we provide a comprehensive review of recent advances in synthetic strategies to access organochalcogen‐decorated compounds using N─F reagents as efficient oxidants for converting chalcogen–chalcogen bonds into electrophilic chalcogen‐based species.
Thiago Anjos +5 more
wiley +1 more source
Angewandte Chemie, EarlyView.Hybrid physics and deep‐learning enabled design methods identified miniprotein binders to Flpp3 (Francisella‐like lipoprotein), a key virulence factor from Francisella tularensis. Multiple candidates with nanomolar to picomolar binding affinities were obtained using yeast surface display screening and further experimental optimization.
Gizem Gokce‐Alpkilic +18 more
wiley +2 more sources
Three-dimensional morphologies, substructures, and crystallography of pearlite in carbon steel
Akinobu Shibata +5 more
openalex +1 more source
DiffPy– an open-source library for powder crystallography [PDF]
, 2011 Pavol Juhás +6 more
openalex +1 more source