Search Results - "Alain Borel"

ChemCalc: A Building Block for Tomorrow’s Chemical Infrastructure by Patiny, Luc, Borel, Alain

“…Web services, as an aspect of cloud computing, are becoming an important part of the general IT infrastructure, and scientific computing is no exception to…”
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High Relaxivity Confined to a Small Molecular Space: A Metallostar-Based, Potential MRI Contrast Agent by Livramento, João Bruno, Tóth, Éva, Sour, Angélique, Borel, Alain, Merbach, André E., Ruloff, Robert

“…Good things come in small packages: For its moderate molecular weight, the metallostar complex [Fe{Gd2L(H2O)4}3]4− (see picture; L is a…”
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A Starburst-Shaped Heterometallic Compound Incorporating Six Densely Packed Gd3+ Ions by Livramento, João Bruno, Sour, Angélique, Borel, Alain, Merbach, André E., Tóth, Éva

“…The heterotritopic ligand [bpy(DTTA)2]8− has two diethylenediamine‐tetraacetate units for selective lanthanide(III) coordination and one bipyridine function…”
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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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A starburst-shaped heterometallic compound incorporating six densely packed gd(3+) ions by Livramento, João Bruno, Sour, Angélique, Borel, Alain, Merbach, André E, Tóth, Eva

“…The heterotritopic ligand [bpy(DTTA)2]8- has two diethylenediamine-tetraacetate units for selective lanthanide(III) coordination and one bipyridine function…”
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Water-Soluble Gadofullerenes:  Toward High-Relaxivity, pH-Responsive MRI Contrast Agents by Tóth, Éva, Bolskar, Robert D, Borel, Alain, González, Gabriel, Helm, Lothar, Merbach, André E, Sitharaman, Balaji, Wilson, Lon J

“…The water-soluble endohedral gadofullerene derivatives, Gd@C60(OH) x and Gd@C60[C(COOH)2]10, have been characterized with regard to their MRI contrast agent…”
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A ruthenium-based metallostar: synthesis, sensitized luminescence and (1)H relaxivity by Moriggi, Loïck, Aebischer, Annina, Cannizzo, Caroline, Sour, Angélique, Borel, Alain, Bünzli, Jean-Claude G, Helm, Lothar

“…Ru-based metallostars Na(4){Ru[Ln(2)bpy-DTTA(2)(H(2)O)(4)](3)} (Ln = Y, Gd, and Eu) have been self-assembled in aqueous solution and their relaxivity and…”
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A high-frequency EPR study of frozen solutions of Gd(III) complexes: straightforward determination of the zero-field splitting parameters and simulation of the NMRD profiles by Benmelouka, Meriem, Van Tol, Johan, Borel, Alain, Port, Marc, Helm, Lothar, Brunel, Louis Claude, Merbach, André E

“…Gd(III) (S = 7/2) polyaminocarboxylates, used as contrast agents for Magnetic Resonance Imaging (MRI), were studied in frozen solutions by…”
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A High-Frequency EPR Study of Frozen Solutions of Gd III Complexes:  Straightforward Determination of the Zero-Field Splitting Parameters and Simulation of the NMRD Profiles by Benmelouka, Meriem, Van Tol, Johan, Borel, Alain, Port, Marc, Helm, Lothar, Brunel, Louis Claude, Merbach, André E.

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A Theoretical Characterization of Covalency in Rare Earth Complexes through Their Absorption Electronic Properties:  f−f Transitions by Petit, Laurence, Borel, Alain, Daul, Claude, Maldivi, Pascale, Adamo, Carlo

“…Experimental uncertainties concerning the coordination mode of trivalent plutonium in concentrated LiCl have led us to theoretically evaluate the f−f…”
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A Multinuclear NMR Study on the Structure and Dynamics of Lanthanide(III) Complexes of the Poly(amino carboxylate) EGTA4- in Aqueous Solution by Aime, Silvio, Barge, Alessandro, Borel, Alain, Botta, Mauro, Chemerisov, Sergei, Merbach, André E, Müller, Ute, Pubanz, Dirk

“…The structures and intramolecular dynamics of [Ln(EGTA)(H2O)]- (Ln = La3+, Ce3+, Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Tb3+, Dy3+, Ho3+, Er3+, Tm3+, Yb3+, Lu3+ and…”
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Design of Gd(III)-Based Magnetic Resonance Imaging Contrast Agents:  Static and Transient Zero-Field Splitting Contributions to the Electronic Relaxation and Their Impact on Relaxivity by Benmelouka, Meriem, Borel, Alain, Moriggi, Loick, Helm, Lothar, Merbach, André E

“…A multiple-frequency (9.4−325 GHz) and variable-temperature (276−320 K) electron paramagnetic resonance (EPR) study on low molecular weight gadolinium(III)…”
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Towards the Rational Design of MRI Contrast Agents: Electron Spin Relaxation Is Largely Unaffected by the Coordination Geometry of Gadolinium(III)-DOTA-Type Complexes by Borel, Alain, Bean, Jonathan F., Clarkson, Robert B., Helm, Lothar, Moriggi, Loïck, Sherry, A. Dean, Woods, Mark

“…Electron‐spin relaxation is one of the determining factors in the efficacy of MRI contrast agents. Of all the parameters involved in determining relaxivity it…”
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Multiple-Frequency EPR Spectra of Two Aqueous Gd3+ Polyamino Polypyridine Carboxylate Complexes:  A Study of High Field Effects by Borel, Alain, Laus, Sabrina, Ozarowski, Andrzej, Gateau, Christelle, Nonat, Aline, Mazzanti, Marinella, Helm, Lothar

“…In the search for highly efficient magnetic resonance imaging contrast agents, polyamino polypyridine carboxylate complexes of Gd3+ have shown unusual…”
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Hybrid ligand-field theory/quantum chemical calculation of the fine structure and ZFS in lanthanide(III) complexes by Borel, Alain, Helm, Lothar, Daul, Claude A.E.

“…Ligand field effects in lanthanide ions compounds have consequences for optical and magnetic spectroscopy. In the analysis of electron paramagnetic resonance…”
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The effect of pyridinecarboxylate chelating groups on the stability and electronic relaxation of gadolinium complexes by Chatterton, Nicholas, Gateau, Christelle, Mazzanti, Marinella, Pécaut, Jacques, Borel, Alain, Helm, Lothar, Merbach, André

“…The ligand N,N'-bis[(6-carboxy-2-pyridylmethyl]ethylenediamine-N,N'-diacetic acid (H(4)bpeda) was synthesised using an improved procedure which requires a…”
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Variable Temperature and EPR Frequency Study of Two Aqueous Gd(III) Complexes with Unprecedented Sharp Lines by Borel, Alain, Kang, Hoon, Gateau, Christelle, Mazzanti, Marinella, Clarkson, R. B, Belford, R. Linn

“…We present an EPR study of two Gd(III) complexes in aqueous solution at multiple temperatures and EPR frequencies. These two complexes, [Gd(TPATCN)] and…”
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How does internal motion influence the relaxation of the water protons in Ln(III)DOTA-like complexes? by Dunand, Frank A, Borel, Alain, Merbach, André E

“…Taking advantage of the Curie contribution to the relaxation of the protons in the Tb(III) complex, and the quadrupolar relaxation of the 17O and 2H nuclei on…”
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Stochastic Liouville equation treatment of the electron paramagnetic resonance line shape of an S-state ion in solution by Borel, Alain, Clarkson, R B, Belford, R Linn

“…The current approaches used for the analysis of electron paramagnetic resonance spectra of Gd3+ complexes suffer from a number of drawbacks. Even the elaborate…”
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EPR Spectroscopy of MRI-Related Gd(III) Complexes:  Simultaneous Analysis of Multiple Frequency and Temperature Spectra, Including Static and Transient Crystal Field Effects by Rast, Sebastian, Borel, Alain, Helm, Lothar, Belorizky, Elie, Fries, Pascal H, Merbach, André E

“…For the first time, a very general theoretical method is proposed to interpret the full electron paramagnetic resonance (EPR) spectra at multiple temperatures…”
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