Ion‐Mobility Mass Spectrometry for the Rapid Determination of the Topology of Interlocked and Knotted Molecules |
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Authors: | Anneli Kruve,Kenji Caprice,Roy Lavendomme,Jan M. Wollschl ger,Stefan Schoder,Hendrik V. Schr der,Jonathan R. Nitschke,Fabien B. L. Cougnon,Christoph A. Schalley |
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Affiliation: | Anneli Kruve,Kenji Caprice,Roy Lavendomme,Jan M. Wollschläger,Stefan Schoder,Hendrik V. Schröder,Jonathan R. Nitschke,Fabien B. L. Cougnon,Christoph A. Schalley |
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Abstract: | A rapid screening method based on traveling‐wave ion‐mobility spectrometry (TWIMS) combined with tandem mass spectrometry provides insight into the topology of interlocked and knotted molecules, even when they exist in complex mixtures, such as interconverting dynamic combinatorial libraries. A TWIMS characterization of structure‐indicative fragments generated by collision‐induced dissociation (CID) together with a floppiness parameter defined based on parent‐ and fragment‐ion arrival times provide a straightforward topology identification. To demonstrate its broad applicability, this approach is applied here to six Hopf and two Solomon links, a trefoil knot, and a [3]catenate. |
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Keywords: | Ineinandergreifende Molekü le Ionenmobilitä tsspektrometrie Kleeblattknoten Solomonknoten Tandem-Massenspektrometrie |
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