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Unveiling the formation 1: 2 supramolecular complexes between cucurbit[7]uril and a cationic calix[4]arene derivative

2019-11Journal article Restricted access
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dc.contributor.authorPessego, Marcia
dc.contributor.authorMendoza, Johan
dc.contributor.authorDa Silva, José Paulo
dc.contributor.authorBasilio, Nuno
dc.contributor.authorGarcia-Rio, Luis
dc.date.accessioned2020-07-24T10:50:53Z
dc.date.available2020-07-24T10:50:53Z
dc.date.issued2019-11
dc.description.abstractThe formation of host-guest complexes between cucurbit[7]uril (CB7) and a tetracationic calix[4]arene derivative in the so-called cone conformation was investigated by H-1 NMR, DOSY NMR, isothermal titration calorimetry and ESI-MS. The results point to the formation of 1: 1, 1: 2 and 2: 1 CB7:calixarene complexes with binding constants of 3 x 10(6) M-1, approximate to 2 x 10(2) M-1, and 9 x 10(4) M-1 respectively. The study demonstrates, on one hand, that despite having four potential recognition sites, the calixarene only binds two CB7 molecules and, on the other, that for sterically crowded binding motifs that prevent CB7 inclusion with optimized hydrophobic and ion-dipole interactions, the formation of 1:2 complexes can be observed most likely due to formation of external binding of the cationic moieties to the CB7 carbonyl portals.
dc.description.sponsorshipFCT (Portugal)Portuguese Foundation for Science and Technology
dc.description.sponsorshipMICINN (Spain)Spanish Government
dc.description.sponsorshipERDFEuropean Union (EU) [UID/QUI/50006/2019, UID/Multi/04326/2019, ALG-01-0145-FEDER-022121 PTDC/QUI-COL/32351/2017, CEECIND/00466/2017, CTQ2017284354-P, GR 2007/085, IN607C 2016/03, ED431G/09]
dc.description.versioninfo:eu-repo/semantics/publishedVersion
dc.identifier.doi10.1039/c9cc07280b
dc.identifier.issn1359-7345
dc.identifier.urihttp://hdl.handle.net/10400.1/14168
dc.language.isoeng
dc.peerreviewedyes
dc.publisherRoyal Society of Chemistry
dc.subjectHigh energy water
dc.subjectCucurbituril
dc.subjectChemistry
dc.subjectMacrocycles
dc.subjectAffinity
dc.subjectRelease
dc.titleUnveiling the formation 1: 2 supramolecular complexes between cucurbit[7]uril and a cationic calix[4]arene derivative
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage13831
oaire.citation.issue92
oaire.citation.startPage13828
oaire.citation.titleChemical Communications
oaire.citation.volume55
person.familyNameSilva
person.givenNameJosé Paulo da
person.identifier.ciencia-id3413-C4F4-73F7
person.identifier.orcid0000-0002-6458-7328
person.identifier.ridA-4606-2008
person.identifier.scopus-author-id7201733236
rcaap.rightsrestrictedAccess
rcaap.typearticle
relation.isAuthorOfPublicatione2004fa2-a47d-44b0-b11c-fc95fe51cbf9
relation.isAuthorOfPublication.latestForDiscoverye2004fa2-a47d-44b0-b11c-fc95fe51cbf9

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