Alain Borel
EPFL SISB-SOAR
RLC D1 220 (Rolex Learning Center)
Station 20
1015 Lausanne
+41 21 693 98 01
Office:
RLC D1 220
EPFL
>
VPA-AVP-PGE
>
AVP-PGE-EDOC
>
EDCH-ENS
EPFL SISB-SOAR
RLC D1 220 (Rolex Learning Center)
Station 20
1015 Lausanne
+41 21 693 98 01
Office:
RLC D1 220
EPFL
>
VPA
>
VPA-SISB
>
SISB-SOAR
Web site: Web site: https://www.epfl.ch/campus/library/
Fields of expertise
- Library and information services
- Scientific research data management
- System administration (Unix, Mac OSX and MS Windows)
- Molecular modeling, especially classical MD simulations and Density Functional Theory applied to transition metal complexes
- Electron paramagnetic resonance spectroscopy
- Programming (Python, Javascript, C, Fortran, Unix shell, Matlab)
- Scientific research data management
- System administration (Unix, Mac OSX and MS Windows)
- Molecular modeling, especially classical MD simulations and Density Functional Theory applied to transition metal complexes
- Electron paramagnetic resonance spectroscopy
- Programming (Python, Javascript, C, Fortran, Unix shell, Matlab)
Publications
Infoscience publications
Publications
2024
The Zenodo communities: visibility and FAIRness of your dataset. Example at the EPFL
Love Data Week 2024, [online], 14.02.2024.2023
A research data files & folders naming convention for the impatient
20232022
README file for datasets - Best practices and template
2022-11-232020
EPFL Library Publishing Support Fastguides
Open Access Week 2020, Lausanne, Switzerland, 19-26.10.2019.2019
RDM Walkthrough Guide
20192013
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.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
DRM et bibliothèques
Flash informatique. 2012. num. spécial été, p. 13-14.Computer-aided Universal Decimal Classification
European Library Automation Group Conference 2012, Palma de Mallorca, Spain, May 14-18, 2012.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
Be realistic, demand the impossible: Comparison of 4 discovery tools using real data at the EPFL Library
2011MarcXimiL : near duplicates detection (and similarity analysis)
CERN Workshop on Innovations in Scholarly Communication (OAI7), Geneva, June 22-24, 2011.MarcXimiL - A deduplication tool for library records... and more
European Library Automation Group Conference 2011, Prague, Czech Republic, May 24-27, 2011.2009
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.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
2009A ruthenium-based metallostar: synthesis, sensitized luminescence and 1H relaxivity
Dalton Transactions. 2009. num. 12, p. 2088-2095. DOI : 10.1039/b818599a.Site Selective Functionalization of Fluorinated Nitrogen Heterocycles
Fluorinated Heterocycles; Washington, DC: American Chemical Society, 2009. p. 23-37.2008
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
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.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.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
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+.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.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.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.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
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.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.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
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.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.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
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
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.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.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.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
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.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.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.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
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
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
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
Etude du complexe [Pt2Cl4(mu-CO)2]2- par la théorie de la fonctionnelle de densité
1995Teaching & PhD
Courses
Hands-on with Research Data Management in Chemistry
PhD students in Chemistry will learn hands-on Research Data Management (RDM) skills transferable to their research practices. They will
contextualize their research into RDM best practices (day 1), discover appropriate tools (day 2) and work on a project (day 3) for the course
accreditation