Results 141 to 150 of about 11,779 (265)

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Isotopic Evidence Suggests a High Contribution of Hypohalous Acids to Sulfate Formation in the Coastal Marine Boundary Layer. [PDF]

Environ Sci Technol
Chen Q, Moon AR, Alexander B, Schauer A, Xia M, Jiang Y, Zou Z, Wang T.   +7 more
europepmc   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Planar hexacoordinate chlorine. [PDF]

Chem Sci
Cheng YX, Bai LX, Martínez-Villarino F, Guo JC, Merino G.   +4 more
europepmc   +1 more source

CO₂-free Fischer-Tropsch synthesis enabled by halogen modifiers. [PDF]

Natl Sci Rev
Pérez-Ramírez J.
europepmc   +1 more source

Synthese Unkonventioneller α‐Polyhalogenierter Amine Durch Hydroaminoalkylierung

Angewandte Chemie, EarlyView.
Es wird ein redox‐neutrales Verfahren beschrieben, bei dem Alkene und Alkine unter Verwendung stabiler Hemiaminal‐Reagenzien in α‐Polyhalogenmethylamine umgewandelt werden. Dieser Ansatz ermöglicht den Zugang zu α‐CF3‐, α‐CF2H‐, α‐CF2Cl‐, und α‐CFClH‐Aminen und besticht durch ein breites Substratspektrum, eine hohe Toleranz gegenüber funktionellen ...
Angela K. Hofmeister, Giulia Iannelli, Péter Angyal, Augustin Malandain, Daniel Kaiser, Boris Maryasin, Hanspeter Kählig, Matteo Barel, Gaia Novarino, Nuno Maulide   +9 more
wiley   +1 more source

Electrochemical synthesis of 2-oxa-bicyclo[2.1.1]hexanes by anodic oxidation-cyclization relay strategy. [PDF]

Chem Sci
Brunetti A, Monda G, Mazza A, Monari M, López CS, Bertuzzi G, Bandini M.   +6 more
europepmc   +1 more source

Highly Enantio‐ and Diastereoselective Synthesis of Tetrahydrofuran Frameworks via Chiral Lewis Acid‐Catalyzed Formal [3+2] Cycloaddition of Allylsilanes

Angewandte Chemie, EarlyView.
The first catalytic asymmetric formal [3+2] cycloaddition of allylsilanes delivers cis‐2,5‐disubstituted tetrahydrofuran‐3‐ones that serve as versatile intermediates for the synthesis of diverse bioactive scaffolds. ABSTRACT A formal [3+2] cycloaddition via cyclization/1,2‐hydride shift initiated by nucleophilic attack of allylsilanes has been ...
Hosung Lee, Dong Kyu Kim, Pingshan Xin, Jin Won Lee, Terim Seo, Do Hyun Ryu   +5 more
wiley   +1 more source

Planar and Pyramidal Pentacoordinate Selenium Atoms. [PDF]

Chemistry
Diego L, Vásquez-Espinal A, Islas R, Merino G.   +3 more
europepmc   +1 more source

Isolable C‐Phosphonio‐Boratavinyl Anion

Angewandte Chemie, EarlyView.
A persistent C‐phosphonio boratavinyl anion was successfully synthesized. This boron‐containing vinyl lithium, featuring a vinyl carbon with an excessively high negative charge, exhibits remarkable nucleophilic and basic character, which was demonstrated by the result of a rapid reaction with H2 at RT.
Huihui Xu, Aurora Rodríguez‐Álvarez, Md Jabed Hossain, Antoine Baceiredo, Eddy Maerten, Nathalie Saffon‐Merceron, Vicenç Branchadell, Tsuyoshi Kato   +7 more
wiley   +1 more source