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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F14%3A10286122%21RIV15-MSM-11310___
rdf:type
n7:Vysledek skos:Concept
rdfs:seeAlso
http://dx.doi.org/10.1002/chem.201403856
dcterms:description
We report the synthesis of a cyclen-based ligand (4,10-bis[(1-oxidopyridin-2-yl)methyl]-1,4,7,10-tetraazacyclododecane-1, 7-diacetic acid = L1) containing two acetate and two 2-methylpyridine N-oxide arms anchored on the nitrogen atoms of the cyclen platform, which has been designed for stable complexation of lanthanide(III) ions in aqueous solution. Relaxometric studies suggest that the thermodynamic stability and kinetic inertness of the Gd-III complex may be sufficient for biological applications. A detailed structural study of the complexes by H-1 NMR spectroscopy and DFT calculations indicates that they adopt an anti-Delta(lambda lambda lambda lambda) conformation in aqueous solution, that is, an anti-square antiprismatic (anti-SAP) isomeric form, as demonstrated by analysis of the H-1 NMR paramagnetic shifts induced by Yb-III. The water-exchange rate of the Gd-III complex is k(ex)(298) = 6.7 x 10(6) s(-1), about a quarter of that for the mono-oxidopyridine analogue, but still about 50% higher than the k(ex)(298) of GdDOTA (DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid). The 2-methylpyridine N-oxide chromophores can be used to sensitize a wide range of Ln(III) ions emitting in both the visible (Eu-III and Tb-III) and NIR (Pr-III, Nd-III, Ho-III, Yb-III) spectral regions. The emission quantum yield determined for the Yb-III complex (Q(Yb)(L) = 7.3(1) x 10(-3)) 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. We report the synthesis of a cyclen-based ligand (4,10-bis[(1-oxidopyridin-2-yl)methyl]-1,4,7,10-tetraazacyclododecane-1, 7-diacetic acid = L1) containing two acetate and two 2-methylpyridine N-oxide arms anchored on the nitrogen atoms of the cyclen platform, which has been designed for stable complexation of lanthanide(III) ions in aqueous solution. Relaxometric studies suggest that the thermodynamic stability and kinetic inertness of the Gd-III complex may be sufficient for biological applications. A detailed structural study of the complexes by H-1 NMR spectroscopy and DFT calculations indicates that they adopt an anti-Delta(lambda lambda lambda lambda) conformation in aqueous solution, that is, an anti-square antiprismatic (anti-SAP) isomeric form, as demonstrated by analysis of the H-1 NMR paramagnetic shifts induced by Yb-III. The water-exchange rate of the Gd-III complex is k(ex)(298) = 6.7 x 10(6) s(-1), about a quarter of that for the mono-oxidopyridine analogue, but still about 50% higher than the k(ex)(298) of GdDOTA (DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid). The 2-methylpyridine N-oxide chromophores can be used to sensitize a wide range of Ln(III) ions emitting in both the visible (Eu-III and Tb-III) and NIR (Pr-III, Nd-III, Ho-III, Yb-III) spectral regions. The emission quantum yield determined for the Yb-III complex (Q(Yb)(L) = 7.3(1) x 10(-3)) 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.
dcterms:title
A Bis(pyridine N-oxide) Analogue of DOTA: Relaxometric Properties of the Gd-III Complex and Efficient Sensitization of Visible and NIR-Emitting Lanthanide(III) Cations Including Pr-III and Ho-III A Bis(pyridine N-oxide) Analogue of DOTA: Relaxometric Properties of the Gd-III Complex and Efficient Sensitization of Visible and NIR-Emitting Lanthanide(III) Cations Including Pr-III and Ho-III
skos:prefLabel
A Bis(pyridine N-oxide) Analogue of DOTA: Relaxometric Properties of the Gd-III Complex and Efficient Sensitization of Visible and NIR-Emitting Lanthanide(III) Cations Including Pr-III and Ho-III A Bis(pyridine N-oxide) Analogue of DOTA: Relaxometric Properties of the Gd-III Complex and Efficient Sensitization of Visible and NIR-Emitting Lanthanide(III) Cations Including Pr-III and Ho-III
skos:notation
RIV/00216208:11310/14:10286122!RIV15-MSM-11310___
n3:aktivita
n11:I n11:P
n3:aktivity
I, P(GA13-08336S), P(LD13012)
n3:cisloPeriodika
45
n3:dodaniDat
n16:2015
n3:domaciTvurceVysledku
n15:3978877
n3:druhVysledku
n10:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
543
n3:idVysledku
RIV/00216208:11310/14:10286122
n3:jazykVysledku
n8:eng
n3:klicovaSlova
MRI; luminescence; lanthanides; imaging agents; cyclen ligands
n3:klicoveSlovo
n5:luminescence n5:MRI n5:lanthanides n5:cyclen%20ligands n5:imaging%20agents
n3:kodStatuVydavatele
DE - Spolková republika Německo
n3:kontrolniKodProRIV
[300DED38B27D]
n3:nazevZdroje
Chemistry - A European Journal
n3:obor
n12:CA
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
10
n3:projekt
n14:GA13-08336S n14:LD13012
n3:rokUplatneniVysledku
n16:2014
n3:svazekPeriodika
20
n3:tvurceVysledku
Geraldes, Carlos F. G. C. Hermann, Petr Teixeira, João M. C. Eliseeva, Svetlana V. Paula, Carlos T. B. Carvalho, Henrique F. Petoud, Stephane Platas-Iglesias, Carlos Martins, André F. Tóth, Éva
n3:wos
000344358900038
s:issn
0947-6539
s:numberOfPages
12
n20:doi
10.1002/chem.201403856
n17:organizacniJednotka
11310