{
  "abstract": "Cryptophanes can selectively encapsulate small molecules and cations. Tuning host-guest selectivity requires insight into molecular recognition, which is analytically accessible with ion mobility mass spectrometry (IM-MS) via the conformational dynamics of complexation. Using activated IM-MS to differentiate between encapsulated and externally associated species, anti -cryptophanes complexes of the cation H + , Li + , Na + , K + , Rb + , Cs + , Mg 2+ , and Ag + were investigated. The m/z of fragments are characteristic of the binding mode of the host and guest pair. Using the combination of characteristic m/z and changes in ion mobility, IM-MS was sensitive to the host’s binding mode and provided further support to whether encapsulation had taken place. These findings demonstrate that activated IM-MS can sensitively probe cryptophane binding modes and provide new insight into the selectivity of cation encapsulation.",
  "abstract_shown": true,
  "affiliations": [
    "School of Chemistry",
    "UNSW Sydney",
    "Michael Barber Centre for Collaborative Mass Spectrometry, Manchester Institute of Biotechnology, Department of Chemistry, The University of Manchester, 131 Princess Street, Manchester, UK, M1 7DN",
    "School of Chemistry and Physics",
    "Queensland University of Technology",
    "Central Analytical Research Facility",
    "Centre for Materials Science",
    "Laboratoire de Chimie",
    "CNRS UMR"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 12,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Oscar H. Lloyd Williams",
      "orcid": "0009-0002-5638-7569"
    },
    {
      "affs": [
        2
      ],
      "name": "Niklas Geue",
      "orcid": "0000-0002-5216-8353"
    },
    {
      "affs": [
        2
      ],
      "name": "Thomas D. Hoare",
      "orcid": "0000-0003-4588-2994"
    },
    {
      "affs": [
        2
      ],
      "name": "Hari R. Newnham",
      "orcid": "0000-0002-5707-8103"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Holly S. Hollomon",
      "orcid": "0009-0000-7835-9070"
    },
    {
      "affs": [
        3,
        4
      ],
      "name": "Lachlan J, Jekimovs"
    },
    {
      "affs": [
        5,
        4
      ],
      "name": "David L. Marshall",
      "orcid": "0000-0002-1711-2338"
    },
    {
      "affs": [
        3,
        4,
        6
      ],
      "name": "Michael C. Pfrunder",
      "orcid": "0000-0002-2270-7141"
    },
    {
      "affs": [
        3,
        4
      ],
      "name": "Berwyck L. J. Poad",
      "orcid": "0000-0002-0420-6116"
    },
    {
      "affs": [
        2
      ],
      "name": "Perdita E. Barran",
      "orcid": "0000-0002-7720-586X"
    },
    {
      "affs": [
        7,
        8
      ],
      "name": "Thierry Brotin",
      "orcid": "0000-0001-9746-4706"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Nicole J. Rijs",
      "orcid": "0000-0001-8550-6219"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/6n47gcb801a3x.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010979/v1",
  "fulltext_url": null,
  "id": "6n47gcb801a3x",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010979/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1607|Mass Spectrometry Techniques and Applications"
    ]
  ],
  "openalex": "W7223354536",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010979/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-23",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/6n47gcb801a3x.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:26Z",
      "native_id": "10.26434/chemrxiv.15010979",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010979/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1607|Mass Spectrometry Techniques and Applications",
      "subfield": "physical"
    }
  ],
  "title": "Conformational Dynamics of Cation-Cryptophane Complexes by Ion Mobility Mass Spectrometry",
  "title_text": "Conformational Dynamics of Cation-Cryptophane Complexes by Ion Mobility Mass Spectrometry",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:26Z",
  "url": "https://research.draconitic.com/paper/6n47gcb801a3x",
  "venue": "ChemRxiv",
  "versions": []
}