Search Results - "Yerly, Fabrice"

Molecular Dynamics Simulations of the Internal Mobility of Gd3+-Based MRI Contrast Agents: Consequences for Water Proton Relaxivity by Alain Borel, Fabrice Yerly, Lothar Helm, André E. Merbach

“…The increasing use of contrast agents in magnetic resonance imaging (MRI) for medical diagnosis is due to the ability, called relaxivity, of these paramagnetic…”
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Molecular Dynamics Simulation of [Gd(egta)(H2O)]− in Aqueous Solution: Internal Motions of the Poly(amino carboxylate) and Water Ligands, and Rotational Correlation Times by Yerly, Fabrice, Hardcastle, Kenneth I., Helm, Lothar, Aime, Silvio, Botta, Mauro, Merbach, André E.

“…Molecular dynamics simulations of [Gd(egta)(H2O)]− (egta4−=3,12‐bis(carboxymethyl)‐6,9‐dioxa‐3,12‐diazatetradecanedioate(4−)) have been performed without any…”
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MD Simulations of Acyclic and Macrocyclic Gd3+-Based MRI Contrast Agents: Influence of the Internal Mobility on Water Proton Relaxivity by Yerly, Fabrice, Borel, Alain, Helm, Lothar, Merbach, André E.

“…Classical molecular dynamics simulations with a force field adapted to the family of Gd3+ polyaminocarboxylate complexes have been successfully applied on two…”
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MD Simulations of Acyclic and Macrocyclic Gd 3+ ‐Based MRI Contrast Agents: Influence of the Internal Mobility on Water Proton Relaxivity by Yerly, Fabrice, Borel, Alain, Helm, Lothar, Merbach, André E.

“…Abstract Classical molecular dynamics simulations with a force field adapted to the family of Gd 3+ polyaminocarboxylate complexes have been successfully…”
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Multiexponential Electronic Spin Relaxation and Redfield's Limit in Gd(III) Complexes in Solution:  Consequences for 17 O/ 1 H NMR and EPR Simultaneous Analysis by Borel, Alain, Yerly, Fabrice, Helm, Lothar, Merbach, André E.

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Towards Binuclear Polyaminocarboxylate MRI Contrast Agents? Spectroscopic and MD Study of the Peculiar Aqueous Behavior of the Ln III Chelates of OHEC (Ln=Eu, Gd, and Tb): Implications for Relaxivity by Nicolle, Gaëlle M., Yerly, Fabrice, Imbert, Daniel, Böttger, Ulrike, Bünzli, Jean‐Claude, Merbach, André E.

“…Abstract We report the study of binuclear Ln III chelates of OHEC (OHEC=octaazacyclohexacosane‐1,4,7,10,14,17,20,23‐octaacetate). The interconversion between…”
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Multiexponential Electronic Spin Relaxation and Redfield's Limit in Gd(III) Complexes in Solution:  Consequences for 17O/1H NMR and EPR Simultaneous Analysis by Borel, Alain, Yerly, Fabrice, Helm, Lothar, Merbach, André E

“…Multiple experiments (17O NMR, 1H NMR, and EPR) have been performed in the past to understand the microscopic parameters that control the magnetic relaxation…”
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Cover Picture by Yerly, Fabrice, Hardcastle, Kenneth I., Helm, Lothar, Aime, Silvio, Botta, Mauro, Merbach, André E.

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Cover Picture by Yerly, Fabrice, Hardcastle, Kenneth I., Helm, Lothar, Aime, Silvio, Botta, Mauro, Merbach, André E.

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Towards Binuclear Polyaminocarboxylate MRI Contrast Agents? Spectroscopic and MD Study of the Peculiar Aqueous Behavior of the LnIII Chelates of OHEC (Ln=Eu, Gd, and Tb): Implications for Relaxivity by Nicolle, Gaëlle M., Yerly, Fabrice, Imbert, Daniel, Böttger, Ulrike, Bünzli, Jean-Claude, Merbach, André E.

“…We report the study of binuclear LnIII chelates of OHEC (OHEC=octaazacyclohexacosane‐1,4,7,10,14,17,20,23‐octaacetate). The interconversion between two…”
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Spectroscopic Study of the Hydration Equilibria and Water Exchange Dynamics of Lanthanide(III) Complexes of 1,7-Bis(carboxymethyl)-1,4,7,10-tetraazacyclododecane (DO2A) by Yerly, Fabrice, Dunand, Frank A., Tóth, E´´va, Figueirinha, Artur, Kovács, Zoltán, Sherry, A. Dean, Geraldes, Carlos F. G. C., Merbach, André E.

“…The hydration state of a series of [Ln(DO2A)(H2O)n]+ complexes in aqueous solution at pH = 6.4–7.0 was studied by measuring the lanthanide‐induced 17O shifts…”
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Spectroscopic Study of the Hydration Equilibria and Water Exchange Dynamics of Lanthanide(III) Complexes of 1,7-bis(carboxymethyl)-1,4,710-tetraazacyclododecane (DO2A) by Yerly, Fabrice, Dunand, Franck A., Tóth, Éva, Figueirinha, Arthur, Kovacs, Zoltan, Sherry, A. Dean, Geraldes, Carlos F. G. C., E. Merbach, André

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