{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T11:10:10Z","timestamp":1789125010407,"version":"build-2803163510"},"reference-count":55,"publisher":"Wiley","license":[{"start":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T00:00:00Z","timestamp":1789084800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T00:00:00Z","timestamp":1789084800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/100017399","name":"Bundesamt f\u00fcr Ausr\u00fcstung, Informationstechnik und Nutzung der Bundeswehr","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100017399","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000921","name":"European Cooperation in Science and Technology","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000921","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry A European J"],"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    The tetrasulfonated deep\u2010cavity calix[4]arene\n                    <jats:bold>1<\/jats:bold>\n                    , bearing a second row of benzene rings around its upper rim, self\u2010assembles into a dimeric capsule in water upon encapsulation of small hydrophobic guests.\n                    <jats:sup>1<\/jats:sup>\n                    H NMR spectroscopy shows that the two calixarene subunits interdigitate, creating an elongated hydrophobic cavity that accommodates linear and cyclic alkanes, as well as benzene and hexafluorobenzene. NMR competition experiments establish a guest size\u2010dependent stability sequence: among the linear alkanes, complex stability peaks at\n                    <jats:italic>n<\/jats:italic>\n                    \u2010hexane and decreases for both shorter and longer homologs, whereas the cycloalkane complexes become steadily more stable from cyclopentane to cyclooctane, with the cyclooctane complex outcompeting the\n                    <jats:italic>n<\/jats:italic>\n                    \u2010octane complex. Benzene forms a comparatively stable complex that is displaced by cyclohexane and cycloheptane, while hexafluorobenzene is in turn displaced by benzene. DFT calculations (BP86\u2010D4(COSMO = water)\/def2\u2010SVP) of substitution energies and packing coefficients reproduce these trends qualitatively, particularly for the larger guests, and rationalize the guest size dependence in terms of a shift from single\u2010 to bis\u2010subunit CH\u00b7\u00b7\u00b7\u03c0 contacts, and, for hexafluorobenzene, a central binding position that minimizes F\u00b7\u00b7\u00b7\u03c0 interactions. Together, these results establish deep\u2010cavity calix[4]arene\n                    <jats:bold>1<\/jats:bold>\n                    as a versatile, hydrophobic effect\u2010driven capsule for the recognition of small apolar molecules in water.\n                  <\/jats:p>","DOI":"10.1002\/chem.71682","type":"journal-article","created":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T10:52:24Z","timestamp":1789123944000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Encapsulation of Linear and Cyclic Alkanes in Water Within a Dimeric Deep\u2010Cavity Sulfonatocalix[4]arene Capsule"],"prefix":"10.1002","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-8032-8933","authenticated-orcid":false,"given":"Nico","family":"Schneider","sequence":"first","affiliation":[{"name":"Fachbereich Chemie \u2013 Organische Chemie RPTU University Kaiserslautern\u2010Landau  Kaiserslautern 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Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7840-2139","authenticated-orcid":false,"given":"Antonio","family":"Frontera","sequence":"additional","affiliation":[{"name":"Departament de Qu\u00edmica Universitat De Les Illes Balears  Baleares Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0526-7014","authenticated-orcid":false,"given":"Stefan","family":"Kubik","sequence":"additional","affiliation":[{"name":"Fachbereich Chemie \u2013 Organische Chemie RPTU University Kaiserslautern\u2010Landau  Kaiserslautern 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