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Relaxometric studies suggest that the thermodynamic stability and kinetic inertness of the Gd<jats:sup>III<\/jats:sup> complex may be sufficient for biological applications. A detailed structural study of the complexes by <jats:sup>1<\/jats:sup>H\u2005NMR spectroscopy and DFT calculations indicates that they adopt an <jats:italic>anti<\/jats:italic>\u2010\u0394(\u03bb\u03bb\u03bb\u03bb) conformation in aqueous solution, that is, an <jats:italic>anti<\/jats:italic>\u2010square antiprismatic (<jats:italic>anti<\/jats:italic>\u2010SAP) isomeric form, as demonstrated by analysis of the <jats:sup>1<\/jats:sup>H\u2005NMR paramagnetic shifts induced by Yb<jats:sup>III<\/jats:sup>. The water\u2010exchange rate of the Gd<jats:sup>III<\/jats:sup> complex is <jats:styled-content>${k{{298\\hfill \\atop {\\rm ex}\\hfill}}}$<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-ueqn-1.gif\" xlink:title=\"equation image\"\/><\/jats:styled-content>=6.7\u00d710<jats:sup>6<\/jats:sup>\u2005s<jats:sup>\u22121<\/jats:sup>, about a quarter of that for the mono\u2010oxidopyridine analogue, but still about 50\u2009% higher than the <jats:styled-content>${k{{298\\hfill \\atop {\\rm ex}\\hfill}}}$<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-ueqn-2.gif\" xlink:title=\"equation image\"\/><\/jats:styled-content> of GdDOTA (DOTA=1,4,7,10\u2010tetraazacyclododecane\u20101,4,7,10\u2010tetraacetic acid). The 2\u2010methylpyridine <jats:italic>N<\/jats:italic>\u2010oxide chromophores can be used to sensitize a wide range of Ln<jats:sup>III<\/jats:sup> ions emitting in both the visible (Eu<jats:sup>III<\/jats:sup> and Tb<jats:sup>III<\/jats:sup>) and NIR (Pr<jats:sup>III<\/jats:sup>, Nd<jats:sup>III<\/jats:sup>, Ho<jats:sup>III<\/jats:sup>, Yb<jats:sup>III<\/jats:sup>) spectral regions. The emission quantum yield determined for the Yb<jats:sup>III<\/jats:sup> complex (<jats:styled-content>${Q{{{\\rm L}\\hfill \\atop {\\rm Yb}\\hfill}}}$<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-ueqn-3.gif\" xlink:title=\"equation image\"\/><\/jats:styled-content>=7.3(1)\u00d710<jats:sup>\u22123<\/jats:sup>) is among the highest ever reported for complexes of this metal ion in aqueous solution. The sensitization ability of the ligand, together with the spectroscopic and relaxometric properties of its complexes, constitute a useful step forward on the way to efficient dual probes for optical imaging (OI) and MRI.<\/jats:p>","DOI":"10.1002\/chem.201403856","type":"journal-article","created":{"date-parts":[[2014,9,18]],"date-time":"2014-09-18T16:01:19Z","timestamp":1411056079000},"page":"14834-14845","source":"Crossref","is-referenced-by-count":32,"title":["A Bis(pyridine <i>N<\/i>\u2010oxide) Analogue of DOTA: Relaxometric Properties of the Gd<sup>III<\/sup> Complex and Efficient Sensitization of Visible and NIR\u2010Emitting Lanthanide(III) Cations Including Pr<sup>III<\/sup> and Ho<sup>III<\/sup>"],"prefix":"10.1002","volume":"20","author":[{"given":"Andr\u00e9 F.","family":"Martins","sequence":"first","affiliation":[]},{"given":"Svetlana V.","family":"Eliseeva","sequence":"additional","affiliation":[]},{"given":"Henrique F.","family":"Carvalho","sequence":"additional","affiliation":[]},{"given":"Jo\u00e3o M. C.","family":"Teixeira","sequence":"additional","affiliation":[]},{"given":"Carlos T. B.","family":"Paula","sequence":"additional","affiliation":[]},{"given":"Petr","family":"Hermann","sequence":"additional","affiliation":[]},{"given":"Carlos","family":"Platas\u2010Iglesias","sequence":"additional","affiliation":[]},{"given":"Stephane","family":"Petoud","sequence":"additional","affiliation":[]},{"given":"\u00c9va","family":"T\u00f3th","sequence":"additional","affiliation":[]},{"given":"Carlos F. G. 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