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Mostrando ítems 11-19 de 19
Self‐aggregated dinuclear lanthanide(III) complexes as potential bimodal probes for magnetic resonance and optical imaging
(Wiley, 2013-08-26)
[Abstract] Homodinuclear lanthanide complexes (Ln=La, Eu, Gd, Tb, Yb and Lu) derived from a bis‐macrocyclic ligand featuring two 2,2′,2′′‐(1,4,7,10‐tetraazacyclododecane‐1,4,7 triyl)triacetic acid chelating sites linked ...
Density functional dependence of molecular geometries in lanthanide(III) complexes relevant to bioanalytical and biomedical applications
(Elsevier, 2012-11-01)
[Abstract] A set of 15 lanthanide-containing model systems was used to evaluate the performance of 15 commonly available density functionals (SVWN, SPL, BLYP, G96LYP, mPWLYP, B3LYP, BH&HLYP, B3PW91, BB95, mPWB95, TPSS, ...
Understanding stability trends along the lanthanide series
(Wiley, 2014-04-01)
[Abstract] The stability trends across the lanthanide series of complexes with the polyaminocarboxylate ligands TETA4− (H4TETA=2,2′,2′′,2′′′‐(1,4,8,11 tetraazacyclotetradecane‐1,4,8,11‐tetrayl)tetraacetic acid), BCAED4− ...
Water exchange rates and mechanisms in tetrahedral [Be(H2O)4]2+ and [Li(H2O)4]+ complexes using DFT methods and cluster‐continuum models
(Wiley, 2016-10-05)
[Abstract] The water exchange reactions in aquated Li+ and Be2+ ions were investigated with density functional theory calculations performed using the [Li(H2O)4]+·14H2O and [Be(H2O)4]2+·8H2O systems and a cluster‐continuum ...
Definition of an intramolecular Eu‐to‐Eu energy transfer within a discrete [Eu2L] complex in solution
(Wiley, 2012-06-25)
[Abstract] Ligand L, based on two do3a moieties linked by the methylene groups of 6,6′‐dimethyl‐2,2′‐bipyridine, was synthesized and characterized. The addition of Ln salts to an aqueous solution of L (0.01 M Tris‐HCl, pH ...
Unexpected Changes in the Population of Coordination Isomers for the Lanthanide Ion Complexes of DOTMA–Tetraglycinate
(American Chemical Society, 2016-09-19)
[Abstract] Lanthanide complexes with DOTA–tetraglycinate (DOTA-(gly)4) heavily favor the square antiprismatic (SAP) coordination isomer in aqueous solution, a structural feature that has made them useful as water-based ...
Solid state and solution structures of alkaline-earth complexes with lariat ethers containing aniline and benzimidazole pendants
(Elsevier, 2012-01-04)
[Abstract] Herein we report the synthesis and structural characterization of Mg(II), Ca(II), Sr(II) and Ba(II) complexes with bibracchial lariat ethers derived from 1,7-diaza-15-crown-5 and 1,7-diaza-12-crown-4 containing ...
The relationship between NMR chemical shifts of thermally polarized and hyperpolarized 89Y complexes and their solution structures
(Wiley, 2016-11-07)
[Abstract] Recently developed dynamic nuclear polarization (DNP) technology offers the potential of increasing the NMR sensitivity of even rare nuclei for biological imaging applications. Hyperpolarized 89Y is an ideal ...
Highly stable complexes of divalent metal ions (Mg2+, Ca2+, Cu2+, Zn2+, Cd2+, and Pb2+) with a dota‐like ligand containing a picolinate pendant
(Wiley, 2014-12)
[Abstract] The stability constants of complexes of the macrocyclic ligand do3a‐pic4– (H4do3a‐pic = 2,2′,2″‐{10‐[(6‐carboxypyridin‐2‐yl)methyl]‐1,4,7,10‐tetraazacyclododecane 1,4,7‐triyl}triacetic acid) with several divalent ...