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)
Publications
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.
Enseignement & Phd
Enseignement
- Chemistry and Chemical Engineering,
Programmes doctoraux
Doctorants
Cours
Information literacy for chemists
Understanding the theoretical foundations of information search.Efficient literature searching, (emphasis on chemical sources).Consequences on one's own publications.Practical management of search results with application to one's own PhD project.Current ... 