Designs of Gd(III)-based magnetic resonance imaging contrast agents: Static and transient zero-field splitting contributions to the electronic relaxation and their impact on relaxitivity
Article Abstract:
A multiple-frequency (9.4-325 GHz) and variable-temperature (276-320 K) electron paramagnetic resonance (EPR) study on low molecular weight gadolinium(III) complexes for potential use as magnetic resonance imaging (MRI) contrast agents is performed. The EPR results conclude that electronic relaxation would have no effect on the efficiency of Gd(III)-based MRI contrast agents designed for studies at very high magnetic fields.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
Theoretical investigation of the binding of small molecules and the intramolecular agostic interaction at Tungsten centers with carbonyl and phosphine ligands
Article Abstract:
An investigation of the parameters governing both the binding of small molecules to different tungsten complexes and agostic bonding in the W[(CO).sub.3][(P[Cy.sub.3]).sub.2] complex applying ab initio MP2 calculations with and without basis set superposition error (BSSE) correction is described. It is suggested that BSSE correction are a must for quantitative predictions for bimolecular reactions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Cracking of hydrocarbons on zeolite catalysts: density functional and Hartree-Fock calculations on the mechanisms of the Beta-scission reaction
- Abstracts: Competition between intramolecular hydrogen bonds and solvation in phosphorylated peptides: Simulations with explicit and implicit solvent
- Abstracts: Effect of sample and substrate electric properties on the electric field enhancement at the Apex of SPM nanotips
- Abstracts: The reactivity of all-metal aromatic complexes: A theoretical investigation on the methane activation reaction
- Abstracts: An analysis of electrical conductances of aqueous solutions of polybasic organic acids. Benzenehexacarboxylic (mellitic) acid and its neutral and acidic salts