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Alain Borel

EPFL SISB-SOAR
RLC D1 220 (Rolex Learning Center)
Station 20
1015 Lausanne

EPFL SISB-SOAR
RLC D1 220 (Rolex Learning Center)
Station 20
1015 Lausanne

Expertise

- Services d'information bibliothécaire
- Gestion des données de recherche scientifique
- 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 (Python, Javascript, C, Fortran, Unix shell, Matlab)

Publications

2025

Research data publication decision tree

L. HenryJ. KrauseR. GrolimundC. TremblayA. Borel  et al.

2025

2024

The Zenodo communities: visibility and FAIRness of your dataset. Example at the EPFL

A. Borel

Love Data Week 2024, [online], 14.02.2024.

2023

A research data files & folders naming convention for the impatient

A. Borel

2023

2022

README file for datasets - Best practices and template

F. VarratoA. BorelC. Gabella

2022

2020

EPFL Library Publishing Support Fastguides

B. MarselliA. HunzikerM. PlatonM. VelascoA. Borel  et al.

Open Access Week 2020, Lausanne, Switzerland, 19-26.10.2019.

2019

RDM Walkthrough Guide

F. VarratoA. Borel

2019

2013

ChemCalc: a building block for tomorrow’s chemical infrastructure

L. PatinyA. Borel

Journal of Chemical Information and Modeling. 2013. Vol. 53, num. 5, p. 1223 - 1228. DOI : 10.1021/ci300563h.

Infoscience, EPFL's institutional repository: facts and prospects

P. DevaudA. Borel

Open Access: Authors, publishers, investors and institutions for the dissemination of the scientific research's results, Lausanne, October 24, 2013.

2012

DRM et bibliothèques

A. Borel

Flash informatique. 2012. num. spécial été, p. 13 - 14.

Electronic fine structure calculation of [Gd(DOTA)(H2O)]- using LF-DFT: The zero field splitting

F. SennL. HelmA. BorelC. A. Daul

Comptes Rendus Chimie. 2012. Vol. 15, num. 2-3, p. 250 - 254. DOI : 10.1016/j.crci.2011.10.008.

Computer-aided Universal Decimal Classification

A. Borel

European Library Automation Group Conference 2012, Palma de Mallorca, Spain, May 14-18, 2012.

2011

MarcXimiL - A deduplication tool for library records... and more

A. Borel

European Library Automation Group Conference 2011, Prague, Czech Republic, May 24-27, 2011.

MarcXimiL : near duplicates detection (and similarity analysis)

J. KrauseA. Borel

CERN Workshop on Innovations in Scholarly Communication (OAI7), Geneva, June 22-24, 2011.

Be realistic, demand the impossible: Comparison of 4 discovery tools using real data at the EPFL Library

D. AymoninA. BorelR. GrolimundT. GuignardG. Iffland  et al.

2011

2009

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

A. BorelJ. Krause

2009

Site Selective Functionalization of Fluorinated Nitrogen Heterocycles

M. SchlosserA. BorelL. Patiny

Fluorinated Heterocycles; Washington, DC: American Chemical Society, 2009. p. 23 - 37.

A ruthenium-based metallostar: synthesis, sensitized luminescence and 1H relaxivity

L. MoriggiA. AebischerC. CannizzoA. SourA. Borel  et al.

Dalton Transactions. 2009. num. 12, p. 2088 - 2095. DOI : 10.1039/b818599a.

Multiple Frequency and Variable Temperature EPR study of Gd(III) polyaminocarboxylates: analysis and comparison of the magnetically dilute powder and the frozen solution spectra

M. BenmeloukaJ. Van TolA. BorelS. NellutlaM. Port  et al.

Helvetica Chimica Acta. 2009. Vol. 92, p. 2173 - 2185. DOI : 10.1002/hlca.200900117.

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

A. BorelJ. F. BeanR. B. ClarksonL. HelmL. Moriggi  et al.

Chemistry - A European Journal. 2008. Vol. 14, num. 9, p. 2658 - 2667. DOI : 10.1002/chem.200701747.

2007

Stochastic Liouville equation treatment of the electron paramagnetic resonance line shape of an S-state ion in solution

A. BorelR. B. ClarksonR. L. Belford

The Journal of Chemical Physics. 2007. Vol. 126, num. 5, p. 054510/1 - 054510/11. DOI : 10.1063/1.2433947.

Multiple-frequency EPR spectra of two aqueous Gd3+ polyaminopolypyridinecarboxylate complexes: a study of high field effects

A. BorelS. LausA. OzarowskiC. GateauA. Nonat  et al.

The Journal of Physical Chemistry A. 2007. Vol. 111, num. 25, p. 5399 - 5407. DOI : 10.1021/jp066921z.

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

M. BenmeloukaA. BorelL. MoriggiL. HelmA. E. Merbach

The Journal of Physical Chemistry B. 2007. Vol. 111, num. 4, p. 832 - 840. DOI : 10.1021/jp0633289.

2006

A Theoretical Characterization of Covalency in Rare Earth Complexes through Their Absorption Electronic Properties: f-f Transitions

L. PetitA. BorelC. DaulP. MaldiviC. Adamo

Inorganic Chemistry. 2006. Vol. 45, num. 18, p. 7382 - 7388. DOI : 10.1021/ic060149x.

A Starburst-Shaped Heterometallic Compound Incorporating Six Densely Packed Gd3+ Ions

J. B. LivramentoA. SourA. BorelA. E. MerbachÉ. Tóth

Chemistry - A European Journal. 2006. Vol. 12, num. 4, p. 989 - 1003. DOI : 10.1002/chem.200500969.

Variable Temperature and EPR Frequency Study of Two Aqueous Gd(III) Complexes with Unprecedented Sharp Lines

A. BorelH. KangC. GateauM. MazzantiR. B. Clarkson  et al.

The Journal of Physical Chemistry A. 2006. Vol. 110, num. 45, p. 12434 - 12438. DOI : 10.1021/jp065445+.

Multiplets of free d- and f-metal ions: A systematic DFT study

A. BorelC. A. Daul

Journal of Molecular Structure: THEOCHEM. 2006. Vol. 762, num. 1-3, p. 93 - 107. DOI : 10.1016/j.theochem.2005.09.023.

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

M. BenmeloukaJ. Van TolA. BorelM. PortL. Helm  et al.

Journal of the American Chemical Society. 2006. Vol. 128, num. 24, p. 7807 - 7816. DOI : 10.1021/ja0583261.

2005

High Relaxivity Confined to a Small Molecular Space: A Metallostar-Based, Potential MRI Contrast Agent

J. B. LivramentoÉ. TóthA. SourA. BorelA. E. Merbach  et al.

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

É. TóthR. D. BolskarA. BorelG. GonzálezL. Helm  et al.

Journal of the American Chemical Society. 2005. Vol. 127, num. 2, p. 799 - 805. DOI : 10.1021/ja044688h.

The effect of pyridinecarboxylate chelating groups on the stability and electronic relaxation of gadolinium complexes

N. ChattertonC. GateauM. MazzantiJ. PécautA. Borel  et al.

Dalton Transactions. 2005. Vol. 6, p. 1129 - 1135. DOI : 10.1039/b416150e.

2004

Molecular dynamics of Gd(III) complexes in aqueous solution by HF EPR

A. BorelL. HelmA. E. Merbach

Very High Frequency (VHF) ESR/EPR; New York: Plenum Press, 2004. p. 207 - 247.

Hybrid ligand-field theory/quantum chemical calculation of the fine structure and ZFS in lanthanide(III) complexes

A. BorelL. HelmC. A. E. Daul

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

A. BorelF. YerlyL. HelmA. E. Merbach

CHIMIA. 2004. Vol. 58, num. 4, p. 200 - 203. DOI : 10.2533/000942904777678055.

2003

MD simulations of acyclic and macrocyclic Gd3+-based MRI contrast agents: Influence of the internal mobility on water proton relaxivity

F. YerlyA. BorelL. HelmA. E. Merbach

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?

F. A. DunandA. BorelL. Helm

Inorganic Chemistry Communications. 2002. Vol. 5, num. 10, p. 811 - 815. DOI : 10.1016/S1387-7003(02)00575-0.

Multiexponential Electronic Spin Relaxation and Redfield's Limit in Gd(III) Complexes in Solution: Consequences for 17O/1H NMR and EPR Simultaneous Analysis

A. BorelF. YerlyL. HelmA. E. Merbach

Journal of the American Chemical Society. 2002. Vol. 124, num. 9, p. 2042 - 2048. DOI : 10.1021/ja016919f.

How Does Internal Motion Influence the Relaxation of the Water Protons in LnIIIDOTA-like Complexes?

F. A. DunandA. BorelA. E. Merbach

Journal of the American Chemical Society. 2002. Vol. 124, num. 4, p. 710 - 716. DOI : 10.1021/ja016873q.

T1e in Four Gd3+ Chelates: LODEPR Measurements and Models for Electron Spin Relaxation

A. BorelL. HelmA. E. MerbachV. A. AtsarkinV. V. Demidov  et al.

The 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

L. HelmF. YerlyA. BorelA. E. Merbach

Journal of Inorganic Biochemistry. 2001. Vol. 86, num. 1, p. 57. DOI : 10.1016/S0162-0134(01)00251-3.

Molecular dynamics simulations of MRI-relevant GdIII chelates: direct access to outer-sphere relaxivity

A. BorelL. HelmA. E. Merbach

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.

EPR Spectroscopy of MRI-Related Gd(III) Complexes: Simultaneous Analysis of Multiple Frequency and Temperature Spectra, Including Static and Transient Crystal Field Effects

S. RastA. BorelL. HelmE. BelorizkyP. H. Fries  et al.

Journal of the American Chemical Society. 2001. Vol. 123, num. 11, p. 2637 - 2644. DOI : 10.1021/ja003707u.

A general approach to the electronic spin relaxation of Gd(III) complexes in solutions. Monte Carlo simulations beyond the Redfield limit

S. RastP. H. FriesE. BelorizkyA. BorelL. Helm  et al.

The Journal of Chemical Physics. 2001. Vol. 115, num. 16, p. 7554 - 7563. DOI : 10.1063/1.1392364.

2000

EPR on aqueous Gd3+ complexes and a new analysis method considering both line widths and shifts

A. BorelE. TothL. HelmA. JanossyA. E. Merbach

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

A. BorelI. van UffelenL. HelmÉ. TóthA. E. Merbach

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

S. AimeA. BargeA. BorelM. BottaS. Chemerisov  et al.

Inorganic Chemistry. 1997. Vol. 36, num. 22, p. 5104 - 5112. DOI : 10.1021/ic970240o.

Cours

Information literacy for chemists

ENG-619

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.

Hands-on with Research Data Management in Chemistry

ChE-601

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