Water exchange studies of lanthanide complexes and aqua ions
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Herein we present a theoretical investigation of the hyperfine coupling constants (HFCCs) on the inner-sphere water molecules of Gd(H2O)(8) and different Gd-III-based magnetic resonance imaging contrast agents such as Gd(DOTA)(H2O), [Gd(DTPA)(H2 ...
Three 6-phosphoryl picolinic acid (6PPA) derivatives were synthesized and used as europium and terbium sensitizers. Two of the three ligands (6-diethoxyphosphoryl picolinic acid (Hdeppa) and 6-monoethoxyphosphoryl picofinic acid (H(2)meppa)) are water-solu ...
The rotation of the carboxylate groups in DOTA (DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) complexes of several lanthanide ions and Sc3+ was investigated with density functional theory (DFT) calculations and with variable temperature O-17 ...
Medium sized molecules endowed with multiple Gd3+ complexes are efficient high magnetic field MRI contrast agents. The novel ligand Mes(DO3A)3, presenting three DO3A (1,4,7,10-tetraazacyclododecane-N,N′,N′′-triacetatic acid) units grafted on the methyl pos ...
The current interest in functionalized calixarenes with phosphorylated pendant arms resides in their coordination ability towards f elements and capability towards actinide/rare earth separation. Uranyl cation forms 1: 1 and 1: 2 (M : L) complexes with a t ...
A series of novel triazole derivative pyridine-based polyaminopolycarboxylate ligands has been synthesized for lanthanide complexation. This versatile platform of chelating agents combines advantageous properties for both magnetic resonance (MR) and optica ...
Multielectron redox chemistry, which is essential in metal catalysed chemical transformations, is not easily accessible in lanthanide complexes. Here we explored the reductive chemistry of lanthanide complexes with tetradentate Schiff bases acting as redox ...
Phosphinoylated calixarenes feature high coordination ability toward f elements and a great potentiality toward actinide/rare earth separation. Here, we report three characteristic properties of a tetra-phosphinoylated p-tert-butylcalix[4]arene, B(4)bL(4) ...
Two tridentate pyridine-tetrazolate ligands (H 2pytz and H 2pytzc), analogues of the well-known dipicolinate (H 2dpa) ligand, have been synthesized in a straightforward manner and used for lanthanide(iii) coordination. The structures of the resulting tris- ...
The objective of this work was the synthesis of serum albumin targeted, GdIII-based magnetic resonance imaging (MRI) contrast agents exhibiting a strong pH-dependent relaxivity. Two new complexes (Gd-glu and Gd-bbu) were synthesized based on the DO3A macro ...
