Automated Structural Activity Screening of β‐Diketonate Assemblies with High‐Throughput Ion Mobility‐Mass Spectrometry
Abstract: Embracing complexity in design, metallo‐supramolecular self‐assembly presents an opportunity for fabricating materials of economic significance. The array of accessible supramolecules is alluring, along with favourable energy requirements. Implementation is hampered by an inability to efficiently characterise complex mixtures. The stoichiometry, size, shape, guest binding properties and reactivity of individual components and combinations thereof are inherently challenging to resolve. A large combinatorial library of four transition metals (Fe, Cu, Ni and Zn), and six β‐diketonate ligands at different molar ratios and pH was robotically prepared and directly analysed over multiple timepoints with electrospray ionisation travelling wave ion mobility‐mass spectrometry. The dataset was parsed for self‐assembling activity without first attempting to structurally assign individual species. Self‐assembling systems were readily categorised without manual data‐handling, allowing efficient screening of self‐assembly activity. This workflow clarifies solution phase supramolecular assembly processes without manual, bottom‐up processing. The complex behaviour of the self‐assembling systems was reduced to simpler qualities, which could be automatically processed.
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Bibliographic citation
-
Automated Structural Activity Screening of β‐Diketonate Assemblies with High‐Throughput Ion Mobility‐Mass Spectrometry ; day:20 ; month:12 ; year:2023 ; extent:14
Angewandte Chemie / International edition. International edition ; (20.12.2023) (gesamt 14)
- Creator
-
Williams, Oscar H. Lloyd
Rusli, Olivia
Ezzedinloo, Lida
Dodgen, Tyren M.
Clegg, Jack K.
Rijs, Nicole J.
- DOI
-
10.1002/anie.202313892
- URN
-
urn:nbn:de:101:1-2023122014205239873009
- Rights
-
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
15.08.2025, 7:20 AM CEST
Data provider
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Williams, Oscar H. Lloyd
- Rusli, Olivia
- Ezzedinloo, Lida
- Dodgen, Tyren M.
- Clegg, Jack K.
- Rijs, Nicole J.
Other Objects (12)
Automated Structural Activity Screening of β‐Diketonate Assemblies with High‐Throughput Ion Mobility‐Mass Spectrometry
Advances in high‐throughput mass spectrometry in drug discovery
High-throughput transcriptomics
High‐Throughput Optimization of Photochemical Reactions using Segmented‐Flow Nanoelectrospray ‐ Ionization Mass Spectrometry **
High‐Throughput Optimization of Photochemical Reactions using Segmented‐Flow Nanoelectrospray ‐ Ionization Mass Spectrometry **
High-throughput analysis of tissue microarrays using automated desorption electrospray ionization mass spectrometry
Investigation of Biomolecular Assemblies by Ion Mobility-Mass Spectrometry and Gas-Phase Infrared Spectroscopy
Combining High‐Throughput Synthesis and High‐Throughput Protein Crystallography for Accelerated Hit Identification
Combining High‐Throughput Synthesis and High‐Throughput Protein Crystallography for Accelerated Hit Identification
High-Throughput BitPacking Compression
High-throughput HEVC CABAC decoding
High‐Throughput Contact Flow Lithography
Automated Structural Activity Screening of β‐Diketonate Assemblies with High‐Throughput Ion Mobility‐Mass Spectrometry
Advances in high‐throughput mass spectrometry in drug discovery
High-throughput transcriptomics
High‐Throughput Optimization of Photochemical Reactions using Segmented‐Flow Nanoelectrospray ‐ Ionization Mass Spectrometry **
High‐Throughput Optimization of Photochemical Reactions using Segmented‐Flow Nanoelectrospray ‐ Ionization Mass Spectrometry **
High-throughput analysis of tissue microarrays using automated desorption electrospray ionization mass spectrometry
Investigation of Biomolecular Assemblies by Ion Mobility-Mass Spectrometry and Gas-Phase Infrared Spectroscopy
Combining High‐Throughput Synthesis and High‐Throughput Protein Crystallography for Accelerated Hit Identification
Combining High‐Throughput Synthesis and High‐Throughput Protein Crystallography for Accelerated Hit Identification
High-Throughput BitPacking Compression
High-throughput HEVC CABAC decoding
High‐Throughput Contact Flow Lithography
Automated Structural Activity Screening of β‐Diketonate Assemblies with High‐Throughput Ion Mobility‐Mass Spectrometry
Advances in high‐throughput mass spectrometry in drug discovery
High-throughput transcriptomics
High‐Throughput Optimization of Photochemical Reactions using Segmented‐Flow Nanoelectrospray ‐ Ionization Mass Spectrometry **
High‐Throughput Optimization of Photochemical Reactions using Segmented‐Flow Nanoelectrospray ‐ Ionization Mass Spectrometry **
High-throughput analysis of tissue microarrays using automated desorption electrospray ionization mass spectrometry
Investigation of Biomolecular Assemblies by Ion Mobility-Mass Spectrometry and Gas-Phase Infrared Spectroscopy
Combining High‐Throughput Synthesis and High‐Throughput Protein Crystallography for Accelerated Hit Identification
Combining High‐Throughput Synthesis and High‐Throughput Protein Crystallography for Accelerated Hit Identification
High-Throughput BitPacking Compression
High-throughput HEVC CABAC decoding