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Exceptionally inert lanthanide(III) PARACEST MRI contrast agents based on an 18-membered macrocyclic platform
(Wiley, 2015-12-14)
[Abstract] We report a macrocyclic ligand based on a 3,6,10,13-tetraaza-1,8(2,6)-dipyridinacyclotetradecaphane platform containing four hydroxyethyl pendant arms (L1) that forms extraordinary inert complexes with Ln3+ ions. ...
Approaching the kinetic inertness of macrocyclic gadolinium(III)-based MRI contrast agents with highly rigid open-chain derivatives
(Wiley, 2016-01-08)
[Abstract] A highly rigid open-chain octadentate ligand (H4cddadpa) containing a diaminocylohexane unit to replace the ethylenediamine bridge of 6,6′-[(ethane-1,2 diylbis{(carboxymethyl)azanediyl})bis(methylene)] dipicolinic ...
High relaxivity Mn2+-based MRI contrast agents
(Wiley, 2014-12-16)
[Abstract] Stable Mn2+ mono- and binuclear complexes containing pentadentate 6,6′-((methylazanediyl)bis(methylene)) dipicolinic acid coordinating units give remarkably high relaxivities due to the presence of two inner-sphere ...
Magnetic anisotropies in rhombic lanthanide(III) complexes do not conform to Bleaney’s theory
(American Chemical Society, 2016-04-04)
[Abstract] We report a complete set of magnetic susceptibilities of lanthanide complexes with a macrocyclic ligand based on a 3,6,10,13-tetraaza-1,8(2,6)-dipyridinacyclotetradecaphane platform containing four hydroxyethyl ...
Definition of the labile capping bond effect in lanthanide complexes
(Wiley, 2017-01-23)
[Abstract] Two macrocyclic ligands containing a cyclen unit, a methyl group, a picolinate arm, and two acetate pendant arms attached to two nitrogen atoms of the macrocycle either in trans (1,7-H3Medo2 ampa = 2,2′-(7-((6 ...
Developing the family of picolinate ligands for Mn2+ complexation
(Royal Society of Chemistry, 2016-12-22)
[Abstract] We have reported here a series of ligands containing pentadentate 6,6′-(azanediylbis(methylene))dipicolinic acid units that differ in the substituent present at the amine nitrogen atom (acetate: H3DPAAA; phenyl: ...
A merged experimental and theoretical conformational study on alkaline-earth complexes with lariat ethers derived from 4,13-diaza-18-crown-6
(Elsevier, 2011-02-05)
[Abstract] Herein, we report the synthesis and structural characterization of alkaline-earth complexes with the bibracchial lariat ethers N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6 (L2) and N,N′-bis(benzimidazol-2ylme ...
Applications of density functional theory (DFT) to investigate the structural, spectroscopic and magnetic properties of lanthanide(III) complexes
(Bentham Science, 2011)
[Abstract] Density functional theory (DFT) has become a general tool to investigate the structure and properties of complicated inorganic molecules, such as lanthanide(III) coordination compounds, due to the high accuracy ...
Gd3+-based magnetic resonance imaging contrast agent responsive to Zn2+
(American Chemical Society, 2015-10-15)
[Abstract] We report the heteroditopic ligand H5L, which contains a DO3A unit for Gd3+ complexation connected to an NO2A moiety through a N-propylacetamide linker. The synthesis of the ligand followed a convergent route ...
Transient versus static electron spin relaxation in Mn2+ complexes relevant as MRI contrast agents
(American Chemical Society, 2016-08-18)
[Abstract] The zero-field splitting (ZFS) parameters of the [Mn(EDTA)(H2O)]2–·2H2O and [Mn(MeNO2A)(H2O)]·2H2O systems were estimated by using DFT and ab initio CASSCF/NEVPT2 calculations (EDTA = 2,2′,2″,2‴-(ethane-1,2-di ...