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Mass spectroscopy shows the presence of 1:1 adducts of Ln\u2013DOTP and both \u03b2\u2010 or \u03b3\u2010CD<jats:sup>+<\/jats:sup>. The peak intensities increased upon increasing the pH of the samples from 7 to 9.0, suggesting an increase in the strength of the interaction. Lanthanide induced <jats:sup>1<\/jats:sup>H NMR chemical shifts and relaxation ratesmeasured in aqueous solutions confirmed the presence of these adducts. The strength of the interactions appeared to be dependent on the pH, reflecting the strong electrostatic interactions between the oppositely charged host CD<jats:sup>+<\/jats:sup> and guest Ln\u2013DOTP chelate. Evaluation of the lanthanide induced relaxation rates showed that the Ln\u2013DOTP does not enter the cavity of the CDs, but remains above it with a distance of 10\u201311 \u00c5 between the Ln<jats:sup>3+<\/jats:sup> ion and the centre of the CD. Molecular modelling indicated that hydrogen bonds between the functionalized groups participating in the interaction sites contribute to the adduct stabilization. The apparent binding constants at pH 7 and 9 were obtained by using relaxometric measurements at 9 MHz. Fitting the NMRD profiles showed an increase in the number of second\u2010sphere water molecules surrounding the phosphonate pendant arms of the Ln\u2013DOTP chelate upon its interaction with the CDs. A brief description of the PARACEST properties of the supramolecular systems formed by Tm\u2013DOTP and the positively charged CDs is presented. Both CDs display a shift of the saturation transfer peaks of the ammonium functions by the Tm complex, with an accentuated effect observed for the \u03b3\u2010CD derivative.<\/jats:p>","DOI":"10.1002\/ejic.201101201","type":"journal-article","created":{"date-parts":[[2012,2,13]],"date-time":"2012-02-13T08:41:26Z","timestamp":1329122486000},"page":"2087-2098","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Supramolecular Adducts of Negatively Charged Lanthanide(III) DOTP Chelates and Cyclodextrins Functionalized with Ammonium Groups: Mass Spectrometry and Nuclear Magnetic Resonance Studies"],"prefix":"10.1002","volume":"2012","author":[{"given":"Giovannia A.","family":"Pereira","sequence":"first","affiliation":[]},{"given":"Joop A.","family":"Peters","sequence":"additional","affiliation":[]},{"given":"Enzo","family":"Terreno","sequence":"additional","affiliation":[]},{"given":"Daniela","family":"Delli Castelli","sequence":"additional","affiliation":[]},{"given":"Silvio","family":"Aime","sequence":"additional","affiliation":[]},{"given":"Sophie","family":"Laurent","sequence":"additional","affiliation":[]},{"given":"Luce","family":"Vander Elst","sequence":"additional","affiliation":[]},{"given":"Robert N.","family":"Muller","sequence":"additional","affiliation":[]},{"given":"Carlos F. 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