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
Information literacy for chemists
Concepts and tools to understand and use the modem chemical information environment Learn how to explore the scientific literature, how to use the information found in agreement with intellectual property laws, and learn about the current trends impacting chemists as creators of knowledge.