Automated Structural Activity Screening of β-Diketonate Assemblies with High-Throughput Ion Mobility-Mass Spectrometry,Angewandte Chemie International Edition

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Automated Structural Activity Screening of β-Diketonate Assemblies with High-Throughput Ion Mobility-Mass Spectrometry
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2023-11-27 , DOI: 10.1002/anie.202313892
Oscar H Lloyd Williams ₁ , Olivia Rusli ₁ , Lida Ezzedinloo ₁ , Tyren M Dodgen ₂ , Jack K Clegg ₃ , Nicole J Rijs ₁

Affiliation

Robotically prepared combinatorial libraries of β-diketonates were analysed with high-throughput ion mobility-mass spectrometry. The dynamic ensemble of components and assemblies were directly separated by their topology. Rapid automated analysis of the makeup of the complex samples was achieved without individual peak assignment. The dataset was parsed for assembly activity without first attempting to structurally assign individual species.

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