Alain Borel
EPFL R SISB
RLC D1 220 (Rolex Learning Center)
Station 20
CH-1015 Lausanne
Unité: EDCH-ENS
Mission
- Développment des collections de chimie, matériaux et sciences criminelles à la Bibliothèque de l'EPFL (y compris Infoscience)
- Service de référence pour la chimie et les sciences criminelles
- Développement de systèmes d'information à la Bibliothèque de l'EPFL
- Enseignement: bases de données bibliographiques pour chimistes
Compétences
- Services d'information bibliothécaire
- Administration système (Unix, Mac OSX et MS Windows)
- Modélisation moléculaire, en particulier simulations de dynamique moléculaire classique et théorie de la fonctionnelle de densité appliquées aux complexes de métaux de transition
- Résonance paramagnétique électronique
- Programmation (C, Fortran, shell Unix, Python, Matlab)
- Administration système (Unix, Mac OSX et MS Windows)
- Modélisation moléculaire, en particulier simulations de dynamique moléculaire classique et théorie de la fonctionnelle de densité appliquées aux complexes de métaux de transition
- Résonance paramagnétique électronique
- Programmation (C, Fortran, shell Unix, Python, Matlab)
Publications
Infoscience
Publications
2013
P. Devaud; A. Borel : Infoscience, EPFL's institutional repository: facts and prospects ; Open Access: Authors, publishers, investors and institutions for the dissemination of the scientific research's results, Lausanne, October 24, 2013.
L. Patiny; A. Borel : ChemCalc: a building block for tomorrow’s chemical infrastructure; Journal of Chemical Information and Modeling. 2013. Vol. 53, num. 5, p. 1223-1228. DOI : 10.1021/ci300563h.
2012
A. Borel : DRM et bibliothèques; Flash informatique. 2012. num. spécial été, p. 13-14.
A. Borel : Computer-aided Universal Decimal Classification ; European Library Automation Group Conference 2012, Palma de Mallorca, Spain, May 14-18, 2012.
F. Senn; L. Helm; A. Borel; C. A. Daul : Electronic fine structure calculation of [Gd(DOTA)(H2O)]- using LF-DFT: The zero field splitting; Comptes Rendus Chimie. 2012. Vol. 15, num. 2-3, p. 250-254. DOI : 10.1016/j.crci.2011.10.008.
2011
D. Aymonin; A. Borel; R. Grolimund; T. Guignard; G. Iffland et al. : Be realistic, demand the impossible: Comparison of 4 discovery tools using real data at the EPFL Library. 2011.
J. Krause; A. Borel : MarcXimiL : near duplicates detection (and similarity analysis) ; CERN Workshop on Innovations in Scholarly Communication (OAI7), Geneva, June 22-24, 2011.
A. Borel : MarcXimiL - A deduplication tool for library records... and more ; European Library Automation Group Conference 2011, Prague, Czech Republic, May 24-27, 2011.
2009
M. Benmelouka; J. Van Tol; A. Borel; S. Nellutla; M. Port et al. : Multiple Frequency and Variable Temperature EPR study of Gd(III) polyaminocarboxylates: analysis and comparison of the magnetically dilute powder and the frozen solution spectra; Helvetica Chimica Acta. 2009. Vol. 92, p. 2173-2185. DOI : 10.1002/hlca.200900117.
A. Borel; J. Krause : Development of a flexible tool for the automatic comparison of bibliographic records. Application to sample collections - Développement d'un logiciel flexible pour la comparaison de notices bibliographiques et application à différentes collections ; 2009.
L. Moriggi; A. Aebischer; C. Cannizzo; A. Sour; A. Borel et al. : A ruthenium-based metallostar: synthesis, sensitized luminescence and 1H relaxivity; Dalton Transactions. 2009. num. 12, p. 2088-2095. DOI : 10.1039/b818599a.
M. Schlosser; A. Borel; L. Patiny : Site Selective Functionalization of Fluorinated Nitrogen Heterocycles; Fluorinated Heterocycles; Washington, DC: American Chemical Society, 2009. p. 23-37.
2008
A. Borel; J. F. Bean; R. B. Clarkson; L. Helm; L. Moriggi et al. : Towards the Rational Design of MRI Contrast Agents: Electron Spin Relaxation Is Largely Unaffected by the Coordination Geometry of Gadolinium(III)-DOTA-Type Complexes; Chemistry - A European Journal. 2008. Vol. 14, num. 9, p. 2658-2667. DOI : 10.1002/chem.200701747.
2007
A. Borel; S. Laus; A. Ozarowski; C. Gateau; A. Nonat et al. : Multiple-frequency EPR spectra of two aqueous Gd3+ polyaminopolypyridinecarboxylate complexes: a study of high field effects; Journal of Physical Chemistry A. 2007. Vol. 111, num. 25, p. 5399-5407. DOI : 10.1021/jp066921z.
A. Borel; R. B. Clarkson; R. L. Belford : Stochastic Liouville equation treatment of the electron paramagnetic resonance line shape of an S-state ion in solution; Journal of Chemical Physics. 2007. Vol. 126, num. 5, p. 054510/1-054510/11. DOI : 10.1063/1.2433947.
M. Benmelouka; A. Borel; L. Moriggi; L. Helm; A. E. Merbach : 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; Journal of Physical Chemistry B. 2007. Vol. 111, num. 4, p. 832-840. DOI : 10.1021/jp0633289.
2006
A. Borel; H. Kang; C. Gateau; M. Mazzanti; R. B. Clarkson et al. : Variable Temperature and EPR Frequency Study of Two Aqueous Gd(III) Complexes with Unprecedented Sharp Lines; Journal of Physical Chemistry A. 2006. Vol. 110, num. 45, p. 12434-12438. DOI : 10.1021/jp065445+.
M. Benmelouka; J. Van Tol; A. Borel; M. Port; L. Helm et al. : 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; Journal of the American Chemical Society. 2006. Vol. 128, num. 24, p. 7807-7816. DOI : 10.1021/ja0583261.
J. B. Livramento; A. Sour; A. Borel; A. E. Merbach; É. Tóth : A Starburst-Shaped Heterometallic Compound Incorporating Six Densely Packed Gd3+ Ions; Chemistry - A European Journal. 2006. Vol. 12, num. 4, p. 989-1003. DOI : 10.1002/chem.200500969.
L. Petit; A. Borel; C. Daul; P. Maldivi; C. Adamo : A Theoretical Characterization of Covalency in Rare Earth Complexes through Their Absorption Electronic Properties: f-f Transitions; Inorganic Chemistry. 2006. Vol. 45, num. 18, p. 7382-7388. DOI : 10.1021/ic060149x.
A. Borel; C. A. Daul : Multiplets of free d- and f-metal ions: A systematic DFT study; Journal of Molecular Structure: THEOCHEM. 2006. Vol. 762, num. 1-3, p. 93-107. DOI : 10.1016/j.theochem.2005.09.023.
2005
N. Chatterton; C. Gateau; M. Mazzanti; J. Pécaut; A. Borel et al. : The effect of pyridinecarboxylate chelating groups on the stability and electronic relaxation of gadolinium complexes; Dalton Transactions. 2005. Vol. 6, p. 1129-1135. DOI : 10.1039/b416150e.
J. B. Livramento; É. Tóth; A. Sour; A. Borel; A. E. Merbach et al. : High Relaxivity Confined to a Small Molecular Space: A Metallostar-Based, Potential MRI Contrast Agent; Angewandte Chemie, International Edition. 2005. Vol. 44, num. 10, p. 1480-1484. DOI : 10.1002/anie.200461875.
É. Tóth; R. D. Bolskar; A. Borel; G. González; L. Helm et al. : Water-Soluble Gadofullerenes: Toward High-Relaxivity, pH-Responsive MRI Contrast Agents; Journal of the American Chemical Society. 2005. Vol. 127, num. 2, p. 799-805. DOI : 10.1021/ja044688h.
2004
A. Borel; L. Helm; C. A. E. Daul : Hybrid ligand-field theory/quantum chemical calculation of the fine structure and ZFS in lanthanide(III) complexes; Chemical Physics Letters. 2004. Vol. 383, num. 5,6, p. 584-591. DOI : 10.1016/j.cplett.2003.11.082.
A. Borel; F. Yerly; L. Helm; A. E. Merbach : Molecular dynamics simulations of the internal mobility of Gd3+-based MRI contrast agents: consequences for water proton relaxivity; Chimia. 2004. Vol. 58, num. 4, p. 200-203. DOI : 10.2533/000942904777678055.
A. Borel; L. Helm; A. E. Merbach : Molecular dynamics of Gd(III) complexes in aqueous solution by HF EPR; Very High Frequency (VHF) ESR/EPR; New York: Plenum Press, 2004. p. 207-247.
2003
F. Yerly; A. Borel; L. Helm; A. E. Merbach : MD simulations of acyclic and macrocyclic Gd3+-based MRI contrast agents: Influence of the internal mobility on water proton relaxivity; Chemistry - A European Journal. 2003. Vol. 9, num. 22, p. 5468-5480. DOI : 10.1002/chem.200305175.
2002
F. A. Dunand; A. Borel; L. Helm : Gd(III) based MRI contrast agents: improved physical meaning in a combined analysis of EPR and NMR data?; Inorganic Chemistry Communications. 2002. Vol. 5, num. 10, p. 811-815. DOI : 10.1016/S1387-7003(02)00575-0.
F. A. Dunand; A. Borel; A. E. Merbach : How Does Internal Motion Influence the Relaxation of the Water Protons in LnIIIDOTA-like Complexes?; Journal of the American Chemical Society. 2002. Vol. 124, num. 4, p. 710-716. DOI : 10.1021/ja016873q.
A. Borel; F. Yerly; L. Helm; A. E. Merbach : Multiexponential Electronic Spin Relaxation and Redfield's Limit in Gd(III) Complexes in Solution: Consequences for 17O/1H NMR and EPR Simultaneous Analysis; Journal of the American Chemical Society. 2002. Vol. 124, num. 9, p. 2042-2048. DOI : 10.1021/ja016919f.
A. Borel; L. Helm; A. E. Merbach; V. A. Atsarkin; V. V. Demidov et al. : T1e in Four Gd3+ Chelates: LODEPR Measurements and Models for Electron Spin Relaxation; Journal of Physical Chemistry A. 2002. Vol. 106, num. 26, p. 6229-6231. DOI : 10.1021/jp0203752.
2001
L. Helm; F. Yerly; A. Borel; A. E. Merbach : Molecular dynamics simulation of Gadolinium(III) complexes in aqueous solution; Journal of Inorganic Biochemistry. 2001. Vol. 86, num. 1, p. 57. DOI : 10.1016/S0162-0134(01)00251-3.
S. Rast; P. H. Fries; E. Belorizky; A. Borel; L. Helm et al. : A general approach to the electronic spin relaxation of Gd(III) complexes in solutions. Monte Carlo simulations beyond the Redfield limit; Journal of Chemical Physics. 2001. Vol. 115, num. 16, p. 7554-7563. DOI : 10.1063/1.1392364.
S. Rast; A. Borel; L. Helm; E. Belorizky; P. H. Fries et al. : EPR Spectroscopy of MRI-Related Gd(III) Complexes: Simultaneous Analysis of Multiple Frequency and Temperature Spectra, Including Static and Transient Crystal Field Effects; Journal of the American Chemical Society. 2001. Vol. 123, num. 11, p. 2637-2644. DOI : 10.1021/ja003707u.
A. Borel; L. Helm; A. E. Merbach : Molecular dynamics simulations of MRI-relevant GdIII chelates: direct access to outer-sphere relaxivity; Chemistry - A European Journal. 2001. Vol. 7, num. 3, p. 600-610. DOI : 10.1002/1521-3765(20010202)7:3<600::AID-CHEM600>3.0.CO;2-H.
2000
A. Borel; E. Toth; L. Helm; A. Janossy; A. E. Merbach : EPR on aqueous Gd3+ complexes and a new analysis method considering both line widths and shifts; Physical Chemistry Chemical Physics. 2000. Vol. 2, num. 6, p. 1311-1317. DOI : 10.1039/a909553e.
1998
A. Borel; I. van Uffelen; L. Helm; É. Tóth; A. E. Merbach : Développement d'agents de contraste de haute relaxivité pour l'Imagerie par Résonance Magnétique. 1998. Deuxième Colloque Franco-Québécois en Chimie Inorganique et Organométallique, Castres, France, 1997.
1997
S. Aime; A. Barge; A. Borel; M. Botta; S. Chemerisov et al. : A Multinuclear NMR Study on the Structure and Dynamics of Lanthanide(III) Complexes of the Poly(amino carboxylate) EGTA4- in Aqueous Solution; Inorganic Chemistry. 1997. Vol. 36, num. 22, p. 5104-5112. DOI : 10.1021/ic970240o.
1995
A. Borel : Etude du complexe [Pt2Cl4(mu-CO)2]2- par la théorie de la fonctionnelle de densité ; 1995.
