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33 results on '"Jean-Marc Vincent"'

1. Measuring phenology uncertainty with large scale image processing

Author

Guilherme Rezende Alles, Lucas Mello Schnorr, Jean-Marc Vincent, Shin Nagai, João Luiz Dihl Comba, Instituto de Informática da UFRGS (UFRGS), Universidade Federal do Rio Grande do Sul [Porto Alegre] (UFRGS), Performance analysis and optimization of LARge Infrastructures and Systems (POLARIS), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), Research Institute for Global Change (RIGC), and Japan Agency for Marine-Earth Science and Technology (JAMSTEC)

Subjects
0106 biological sciences, Computer science, Big data, Image processing, computer.software_genre, 010603 evolutionary biology, 01 natural sciences, Digital image, Histogram, Ecology, Evolution, Behavior and Systematics, Ecology, business.industry, 010604 marine biology & hydrobiology, Applied Mathematics, Ecological Modeling, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, Computer Science Applications, Visualization, Workflow, Computational Theory and Mathematics, Modeling and Simulation, Noise (video), Data mining, [INFO.INFO-DC]Computer Science [cs]/Distributed, Parallel, and Cluster Computing [cs.DC], Scale (map), business, computer
Abstract

International audience; One standard method to capture data for phenological studies is with digital cameras, taking periodic pictures of vegetation. The large volume of digital images introduces the opportunity to enrich these studies by incorporating big data techniques. The new challenges, then, are to efficiently process large datasets and produce insightful information by controlling noise and variability. On these grounds, the contributions of this paper are the following. (a) A histogram-based visualization for large scale phenological data. (b) Phenological metrics based on the HSV color space, that enhance such histogram-based visualization. (c) A mathematical model to tackle the natural variability and uncertainty of phenological images. (d) The implementation of a parallel workflow to process a large amount of collected data efficiently. We validate these contributions with datasets taken from the Phenological Eyes Network (PEN), demonstrating the effectiveness of our approach. The experiments presented here are reproducible with the provided companion material

Published
2020

2. Fluorous tags and phases for synthesis and catalysis

Author

Jean-Marc Vincent, Institut des Sciences Moléculaires (ISM), and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010405 organic chemistry, Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, 010402 general chemistry, 01 natural sciences, Combinatorial chemistry, ComputingMilieux_MISCELLANEOUS, 0104 chemical sciences, Catalysis
Abstract

International audience

Published
2020

3. A fluorous sodium l -prolinate derivative as low molecular weight gelator for perfluorocarbons

Author

Redouane Beniazza, Jean-Marc Vincent, Thierry Buffeteau, Ruben Rust, Guillaume Raffy, Natalia Bayo, Marc Schmutz, Frédéric Castet, André Del Guerzo, Nathan D. McClenaghan, Bosi Mao, Damien Jardel, Thibaut Divoux, Buffeteau, Thierry, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Mohammed VI Polytechnique [Ben Guerir] (UM6P), Centre de Recherche Paul Pascal (CRPP), Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Multi-Scale Material Science for Energy and Environment ((MSC)2), Massachusetts Institute of Technology (MIT)-Centre National de la Recherche Scientifique (CNRS), Institut Charles Sadron (ICS), Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Mohammed VI Polytechnic University [Marocco] (UM6P), Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Matériaux et nanosciences d'Alsace (FMNGE), and Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Proline, genetic structures, Sodium, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Catalysis, chemistry.chemical_compound, Rheology, Polymer chemistry, Materials Chemistry, [CHIM]Chemical Sciences, Spectroscopy, Acid derivative, Fluorocarbons, Singlet Oxygen, 010405 organic chemistry, Singlet oxygen, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Temperature, Metals and Alloys, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, [CHIM.ORGA] Chemical Sciences/Organic chemistry, Nanostructures, 0104 chemical sciences, 3. Good health, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Molecular Weight, Solvent, Spectrometry, Fluorescence, Perfluorodecalin, chemistry, Solvents, Ceramics and Composites, Gels, Derivative (chemistry)
Abstract

International audience; The first study dealing with the self-assembly of an α-amino acid derivative in perfluorocarbons is reported. Rheology, microscopy, and spectroscopy studies revealed that the fluorous sodium Lprolinate derivative 1 self-assembles in perfluorocarbons to form a three-dimensional network of left-handed nano-helices resulting in solvent gelation. Singlet oxygen lifetime measured in a gel of perfluorodecalin was ~ 1000 times longer than in pure water. Low molecular weight gelators (LMWG) are a unique and important class of chemicals that can self-assemble in solution to form a gel, i.e. an entangled network of fibers trapping solvent molecules. These self-assembled soft materials have great potential in various applications, including cosmetics, catalysis, organic electronics, regenerative medicine, drug delivery and cell culture. 1,2 Among the various families of LMWGs discovered so far, those based on α-amino acids have received considerable attention. 2,3 Indeed, α-amino acids

Published
2020

4. Photoredox Catalysis at Copper(II) on Chitosan: Application to Photolatent CuAAC

Author

Mohammed Lahcini, Redouane Beniazza, Cédric Lozach, Jean-Marc Vincent, Thierry Buffeteau, Dominique Lastécouères, Oumayma Jennah, Damien Jardel, Abdelkrim El Kadib, Florian Molton, and Carole Duboc

Subjects
Chitosan, chemistry.chemical_compound, chemistry, 010405 organic chemistry, Benzophenone, chemistry.chemical_element, Photoredox catalysis, General Chemistry, 010402 general chemistry, 01 natural sciences, Combinatorial chemistry, Copper, 0104 chemical sciences
Published
2018

5. Visible-light induced photochemistry of Electron Donor-Acceptor Complexes in Perfluoroalkylation Reactions: Investigation of halogen bonding interactions through UV–Visible absorption and Raman spectroscopies combined with DFT calculations

Author

Joseph Grondin, Jean-Marc Vincent, Raphaël Méreau, Thierry Tassaing, Christian Aupetit, Institut des Sciences Moléculaires (ISM), and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Electron donor, 02 engineering and technology, 010402 general chemistry, Photochemistry, 01 natural sciences, chemistry.chemical_compound, symbols.namesake, Materials Chemistry, [CHIM]Chemical Sciences, Lewis acids and bases, Physical and Theoretical Chemistry, Spectroscopy, Acetonitrile, ComputingMilieux_MISCELLANEOUS, Halogen bond, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Acceptor, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, chemistry, symbols, 0210 nano-technology, Raman spectroscopy, Visible spectrum
Abstract

Visible light promoted perfluoroalkylation reactions initiated via halogen bonding interactions between perfluoroalkyl iodides (Rf–I, Rf = CnF2n+1) and Lewis bases have been recognized as a powerful tool in the field of radical synthetic chemistry. In order to provide some insights into the nature, strength and role in the activation process of halogen bonding interactions, we have performed a combined UV–Visible/Raman/DFT study on a model Rf–I (C4F9I) and a series of Lewis bases (LB) frequently used for the activation of perfluoroalkylation reactions, including DBU, MTBD, TMG, TMEDA and Et3N. Raman studies conducted in acetonitrile solutions show that the band at 279 cm−1 associated with the C I stretching normal mode of C4F9I shifts about 20 cm−1 towards lower wavenumbers upon formation of the halogen-bonded complexes. Additionally, the Raman study revealed that at concentrations typically used for perfluoroalkylation reactions, the [C4F9I-LB] complexes are the main species present in solution. UV–Vis spectroscopy revealed that complex formation is characterized by a strong increase in absorption from 225 to 350 nm. The higher the basicity of the Lewis base, the higher the increase of the UV absorbance.

Published
2021

6. 2D and 3D surface photopatterning via laser-promoted homopolymerization of a perfluorophenyl azide-substituted BODIPY

Author

Guillaume Raffy, Jean-Marc Vincent, Nathan D. McClenaghan, Robin Bofinger, Arnaud Tron, André Del Guerzo, Institut des Sciences Moléculaires (ISM), and Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Université Sciences et Technologies - Bordeaux 1-Université Montesquieu - Bordeaux 4-Institut de Chimie du CNRS (INC)

Subjects
Photoluminescence, Nanostructure, Materials science, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, Laser, 01 natural sciences, Fluorescence, 0104 chemical sciences, law.invention, chemistry.chemical_compound, chemistry, law, Fluorescence microscope, [CHIM]Chemical Sciences, General Materials Science, Laser power scaling, BODIPY, 0210 nano-technology, Luminescence, ComputingMilieux_MISCELLANEOUS
Abstract

An innovative photopatterning process is described that allows, in a single laser-promoted operation, the covalent attachment of a molecule on a surface (2D patterning – xy dimensions) and its photopolymerization to grow micro-/nanostructures with spatial control in a third z-dimension. The surface patterning process, based on nitrene reactivity, was harnessed using the highly fluorescent azide-substituted boron difluoride dipyrromethene (BODIPY) 1 that was prepared in a single synthetic step from the parent pentafluorophenyl BODIPY on reacting with NaN3. Using the laser of a fluorescence microscope (375 nm or 532 nm) 1 could be grafted on adapted surfaces and then homopolymerised. In this study we show that using glass coverslips coated with PEG/high density alkyne groups (density of ∼1 × 1014 per cm2), the patterning process was much more spatially confined than when using PEG only coating. Varying the irradiation time (1 to 15 s) or laser power (0.14–3.53 μW) allowed variation of the amount of deposited BODIPY to afford, in the extreme case, pillars of a height up to 800 nm. AFM and MS studies revealed that the nano/microstructures were formed of particles of photopolymerized 1 having a mean diameter of ca. 30 nm. The emission spectra and fluorescence lifetimes for the patterned structures were measured, revealing a red-shift (from ∼560 nm up to 620 nm) of the maximum emission and a shortening (from ∼6 ns to 0.8 ns) of the fluorescence lifetimes in areas where the density of BODIPY is high. As an application of the patterning process, a figure formed of 136 dots/pillars was prepared. The confocal hyperspectral fluorescence image revealed that the figure is clearly resolved and constituted by highly photoluminescent red dots whose fluorescence intensities and emission color proved to be highly reproducible. SEM and AFM studies showed that the luminescent dots were pillars with a conical shape, an average height of 710 ± 28 nm and a FWHM of 400 ± 20 nm.

Published
2017

7. Metal-free and light-promoted radical iodotrifluoromethylation of alkenes with Togni reagent as the source of CF3 and iodine

Author

Maxime Douarre, Dominique Lastécouères, Redouane Beniazza, and Jean-Marc Vincent

Subjects
Iodine atom, 010405 organic chemistry, Metals and Alloys, chemistry.chemical_element, General Chemistry, 010402 general chemistry, Iodine, Photochemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Metal free, chemistry, Group (periodic table), Reagent, Materials Chemistry, Ceramics and Composites, Organic chemistry
Abstract

A light-promoted methodology for the iodotrifluoromethylation of alkenes was developed. For the first time a Togni reagent was exploited as the source of both the CF3 group and iodine atom. Preliminary mechanistic studies suggest that both CF3I and 2-iodobenzoic acid are direct sources of the iodine atom that is transferred to the products.

Published
2017

8. Dual Benzophenone/Copper Photocatalyzed Giese‐Type Alkylation of C(sp3)−H Bonds

Author

Gianluca Pozzi, Damien Jardel, Jean-Marc Vincent, Patrick Y. Toullec, Baptiste Abadie, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CNR-Instituto di Scienze e Tecnologie Molecolari, Laboratoire Charles Friedel, Université Pierre et Marie Curie - Paris 6 (UPMC)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), and Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Radical, Radical polymerization, Giese reaction, Alkylation, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, Catalysis, chemistry.chemical_compound, Ketyl, Benzophenone, Photocatalysis, C-H activation, ComputingMilieux_MISCELLANEOUS, 010405 organic chemistry, Organic Chemistry, General Chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, 3. Good health, 0104 chemical sciences, chemistry, Polymerization, Methyl vinyl ketone, Acrylonitrile, Copper
Abstract

Photocatalyzed Giese-type alkylations of C(sp3 )-H bonds are very attractive reactions in the context of atom-economy in C-C bond formation. The main limitation of such reactions is that when using highly polymerizable olefin acceptors, such as unsubstituted acrylates, acrylonitrile, or methyl vinyl ketone, radical polymerization often becomes the dominant or exclusive reaction pathway. Herein, we report that the polymerization of such olefins is strongly limited or suppressed when combining the photocatalytic activity of benzophenone (BP) with a catalytic amount of Cu(OAc)2 . Under mild and operationally simple conditions, the Giese adducts resulting from the C(sp3 )-H functionalization of amines, alcohols, ethers, and cycloalkanes could be synthesized. Preliminary mechanistic studies have revealed that the reaction does not proceed through a radical chain, but through a dual BP/Cu photocatalytic process, in which both CuII and low-valent CuI/0 species, generated in situ by reduction by the BP ketyl radical, may react with α-keto or α-cyano intermediate radicals, thus preventing polymerization.

Published
2019

9. Autotuning Under Tight Budget Constraints: A Transparent Design of Experiments Approach

Author

Arnaud Legrand, Alfredo Goldman, Pedro Bruel, Jean-Marc Vincent, Steven Quinito Masnada, Brice Videau, Department of Computer Science (USP), University of São Paulo (USP), Performance analysis and optimization of LARge Infrastructures and Systems (POLARIS ), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG ), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Modelling and Inference of Complex and Structured Stochastic Systems (MISTIS ), Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Laboratoire Jean Kuntzmann (LJK ), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Laboratoire d'Informatique de Grenoble (LIG ), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Instituto de Matemática e Estatística (IME), Universidade de São Paulo (USP), and Universidade de São Paulo = University of São Paulo (USP)

Subjects
[INFO.INFO-AR]Computer Science [cs]/Hardware Architecture [cs.AR], 020203 distributed computing, business.industry, Computer science, Design of experiments, Suite, 02 engineering and technology, Supercomputer, 01 natural sciences, Porting, [INFO.INFO-PF]Computer Science [cs]/Performance [cs.PF], 010104 statistics & probability, Software, Computer engineering, Kernel (image processing), 0202 electrical engineering, electronic engineering, information engineering, Performance measurement, [INFO.INFO-DC]Computer Science [cs]/Distributed, Parallel, and Cluster Computing [cs.DC], 0101 mathematics, business, Budget constraint
Abstract

International audience; A large amount of resources is spent writing, port-ing, and optimizing scientific and industrial High Performance Computing applications, which makes autotuning techniques fundamental to lower the cost of leveraging the improvements on execution time and power consumption provided by the latest software and hardware platforms. Despite the need for economy, most autotuning techniques still require large budgets of costly experimental measurements to provide good results, while rarely providing exploitable knowledge after optimization. The contribution of this paper is a user-transparent autotuning technique based on Design of Experiments that operates under tight budget constraints by significantly reducing the measurements needed to find good optimizations. Our approach enables users to make informed decisions on which optimizations to pursue and when to stop. We present an experimental evaluation of our approach and show it is capable of leveraging user decisions to find the best global configuration of a GPU Laplacian kernel using half of the measurement budget used by other common autotuning techniques. We show that our approach is also capable of finding speedups of up to 50×, compared to gcc's-O3, for some kernels from the SPAPT benchmark suite, using up to 10× fewer measurements than random sampling.

Published
2019

10. How the Horváth paradigm, Fluorous Biphasic Catalysis, affected oxidation chemistry: Successes, challenges, and a sustainable future

Author

María Contel, Jean-Marc Vincent, Gianluca Pozzi, Richard H. Fish, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and CNR-Instituto di Scienze e Tecnologie Molecolari

Subjects
Allylic rearrangement, Recoverable precatalysts, Primary (chemistry), 010405 organic chemistry, Chemistry, Homogeneous catalysis, [CHIM.CATA]Chemical Sciences/Catalysis, 010402 general chemistry, 01 natural sciences, Redox, Combinatorial chemistry, 0104 chemical sciences, Catalysis, Inorganic Chemistry, N ligands, Oxidation reactions, Materials Chemistry, Physical and Theoretical Chemistry, Fluorous Biphasic Catalysis, Fluoroponytailed ligands, Perfluorinated solvents, ComputingMilieux_MISCELLANEOUS
Abstract

Fluorous Biphasic Catalysis (FBC) has been a more than a two decades old concept, that constituted a paradigm shift in bi and triphasic homogeneous catalysis reactions. FBC has expanded over the years to include a variety of conceptually innovative strategies, enabling the quick separation and recovery of suitable precatalysts, from substrates and products. An overview of the development of selective FBC oxidation reactions, including allylic oxidation, peroxidation, epoxidation of alkenes, and oxidation of primary and secondary alcohols to carbonyl compounds, is presented, with the major focus on the authors' contributions to the field, showcasing the principles of fluorous precatalyst design, and the potential of FBC in its many variants. (C) 2018 Elsevier B.V. All rights reserved.

Published
2019

11. Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential

Author

Dario M. Bassani, Kyler Aqueche, Subha Sadhu, Jean-Marc Vincent, Lionel Hirsch, Thierry Buffeteau, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de l'intégration, du matériau au système (IMS), and Université Sciences et Technologies - Bordeaux 1-Institut Polytechnique de Bordeaux-Centre National de la Recherche Scientifique (CNRS)

Subjects
Surface (mathematics), Materials science, Process Chemistry and Technology, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Porphyrin, 0104 chemical sciences, [SPI.TRON]Engineering Sciences [physics]/Electronics, chemistry.chemical_compound, chemistry, Chemical engineering, X-ray photoelectron spectroscopy, Mechanics of Materials, Monolayer, Organic inorganic, General Materials Science, Electrical and Electronic Engineering, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract

The chemical nature and orientation of fluorinated monolayers on CH3NH3PbI3 perovskites is probed through XPS and PM-IRRAS measurements. We show that even perfluoro-n-alkanes interact with the HOIP surface to form stable monolayers with well-defined orientation and that the surface potential of CH3NH3PbI3 can be easily tuned over a 150 mV range using various fluorinated porphyrin monolayers.

Published
2019

12. Benzophenonevs. Copper/Benzophenone in Light-Promoted Atom Transfer Radical Additions (ATRAs): Highly Effective Iodoperfluoroalkylation of Alkenes/Alkynes and Mechanistic Studies

Author

Redouane Beniazza, Jean-Marc Vincent, Christelle Absalon, Rachel L. Atkinson, Sergey A. Denisov, Nathan D. McClenaghan, Frédéric Castet, Dominique Lastécouères, Institut des Sciences Moléculaires (ISM), and Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Université Sciences et Technologies - Bordeaux 1-Université Montesquieu - Bordeaux 4-Institut de Chimie du CNRS (INC)

Subjects
chemistry.chemical_classification, 010405 organic chemistry, Radical, Iodide, chemistry.chemical_element, General Chemistry, 010402 general chemistry, Photochemistry, 7. Clean energy, 01 natural sciences, Copper, Redox, 0104 chemical sciences, Solvent, chemistry.chemical_compound, chemistry, Yield (chemistry), Benzophenone, [CHIM]Chemical Sciences, Reactivity (chemistry), ComputingMilieux_MISCELLANEOUS
Abstract

Iodoperfluooralkylation of terminal alkenes and alkynes is effectively photo-promoted by benzophenone 2 (BP) or the photoreducible copper(II) complex 1. In particular, BP at 1 mol% in methanol upon 365 nm irradiation with a low-pressure mercury lamp (type TLC=thin layer chromatography, 6 W) results in a fast reaction with excellent reaction yields. Complex 1 and BP 2 exhibited very similar reactivity, suggesting that the reactions involving 1 are likely to be governed by the benzophenone photoactivation processes, rather than copper(I)/(II) redox processes. Mechanistic investigations using transient absorption spectroscopy revealed that a deactivation pathway of the benzophenone triplet (3BP*) is via its reaction with the methanol solvent. We propose that the generated radicals, in particular .CH2OH, play a key role in the initiation step forming Rf. by reacting with RfI, Rf. then entering a radical chain cycle. 1H NMR studies provided evidence that a substantial amount (∼7% NMR yield) of the hemiacetal CH3OCH2OH is formed, i.e., the possible by-product of the reaction between .CH2OH and RfI. Finally, DFT calculations indicate that a triplet-triplet energy transfer (TTET) process from 3BP* to perfluorooctyl iodide (C8F17I) is unlikely or should be rather slow under the reaction conditions, consistent with the transient absorption studies.

Published
2016

13. Light-mediated iodoperfluoroalkylation of alkenes/alkynes catalyzed by chloride ions: role of halogen bonding

Author

Damien Jardel, Redouane Beniazza, Jean-Marc Vincent, Lionel Remisse, Dominique Lastécouères, Institut Parisien de Chimie Moléculaire (IPCM), Institut de Chimie du CNRS (INC)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires (ISM), and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Halogen bond, 010405 organic chemistry, Metals and Alloys, General Chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, 010402 general chemistry, Photochemistry, 01 natural sciences, Chloride, Catalysis, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Ion, chemistry.chemical_compound, chemistry, Materials Chemistry, Ceramics and Composites, medicine, Uva irradiation, Methanol, Bond cleavage, ComputingMilieux_MISCELLANEOUS, medicine.drug
Abstract

An innovative procedure for the iodoperfluoroalkylation of alkenes/alkynes is described. These reactions, including iodotrifluoromethylations of alkenes, proceed very efficiently under low intensity UVA irradiation in deoxygenated methanol solutions containing catalytic amounts of NaCl or Bu4NCl. Preliminary mechanistic studies indicate that the light-promoted homolytic cleavage of the Rf-I bond that initiates the reaction is facilitated by the halogen bonding interaction between RfI and chloride ions.

Published
2018

14. Fluorous gels of a fluorous alcohol using a low molecular weight anthracene organogelator

Author

Jean-Marc Vincent, Hiroki Miyajima, Maria Carmelita Z. Kasuya, Kenichi Hatanaka, André Del Guerzo, Institut des Sciences Moléculaires (ISM), and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Anthracene, Melting temperature, Organic Chemistry, Alcohol, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Biochemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Environmental Chemistry, Organic chemistry, Physical and Theoretical Chemistry, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract

A fluorous gel was prepared using 2,3-di-n-decyloxyanthracene (DDOA), a low-molecular mass gelator (LMMG) for alcohols, and 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol. The fluorous gel is thermoreversible and its melting temperature can be adjusted by changing the concentration of DDOA. Interestingly, a reduction of the critical concentration of gelation and a tuning of the melting temperature around 37 °C can be achieved by adding the non-gelling analogue 2,3-dimethoxyanthracene (DMOA) to DDOA.

Published
2018

15. Light-promoted metal-free cross dehydrogenative couplings on ethers mediated by NFSI: reactivity and mechanistic studies

Author

Baptiste Abadie, Damien Jardel, Redouane Beniazza, Dominique Lastécouères, Jean-Marc Vincent, and Lionel Remisse

Subjects
010405 organic chemistry, Metals and Alloys, Oxocarbenium, General Chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Ion, chemistry.chemical_compound, chemistry, Yield (chemistry), Oxidizing agent, Electrophile, Materials Chemistry, Ceramics and Composites, Benzophenone, Radical fluorination, Reactivity (chemistry)
Abstract

Cross dehydrogenative couplings on ethers occur very effectively using N-fluorobis(phenyl)sulfonimide (NFSI) as oxidizing agent under UVA irradiation in the presence of 2 mol% benzophenone. The reaction was shown to proceed first by fast radical fluorination of the α-C–H bond of ethers, followed by HF elimination to yield the highly electrophilic oxocarbenium ion as a key intermediate.

Published
2017

16. A Photoreducible Copper(II)-Tren Complex of Practical Value: Generation of a Highly Reactive Click Catalyst

Author

Lydie Harmand, Luca Scarpantonio, Jean-Marc Vincent, Dominique Lastecoueres, Romain Lambert, and Nathan D. McClenaghan

Subjects
chemistry.chemical_classification, 010405 organic chemistry, Chemistry, Organic Chemistry, chemistry.chemical_element, Homogeneous catalysis, General Chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, Copper, Catalysis, Photoinduced electron transfer, 0104 chemical sciences, Solvent, Click chemistry, Partial oxidation, Counterion
Abstract

A detailed study on the photoreduction of the copper(II) precatalyst 1 to generate a highly reactive cuprous species for the copper(I)-catalyzed alkyne-azide cycloaddition (CuAAC) click reaction is presented. For the photoactive catalyst described herein, the activation is driven by a photoinduced electron transfer (PET) process harnessing a benzophenone-like ketoprofenate chromophore as a photosensitizer, which is equally the counterion. The solvent is shown to play a major role in the Cu(II) to Cu(I) reduction process as the final electron source, and the influence of the solvent nature on the photoreduction efficiency has been studied. Particular attention was paid to the use of water as a potential solvent, aqueous media being particularly appealing for CuAAC processes. The ability to solubilize the copper-tren complexes in water through the formation of inclusion complexes with β-CDs is demonstrated. Data is also provided on the fate of the copper(I)-tren catalytic species when reacting with O2, O2 being used to switch off the catalysis. These data show that partial oxidation of the secondary benzylamine groups of the ligand to benzylimines occurs. Preliminary results show that when prolonged irradiation times are employed a Cu(I) to Cu(0) over-reduction process takes place, leading to the formation of copper nanoparticles (NPs). Finally, the main objective of this work being the development of photoactivable catalysts of practical value for the CuAAC, the catalytic, photolatent, and recycling properties of 1 in water and organic solvents are reported.

Published
2013

17. A fluorous copper(II)–carboxylate complex which magnetically and reversibly responds to humidity in the solid state

Author

Corine Mathonière, Rosenildo Correa da Costa, Mathieu Duttine, Artur Motreff, Carole Duboc, Hassan Allouchi, Jean-Marc Vincent, Institut des Sciences Moléculaires (ISM), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Université Sciences et Technologies - Bordeaux 1-Université Montesquieu - Bordeaux 4-Institut de Chimie du CNRS (INC), Physico-chimie des Matériaux et des Electrolytes pour l'Energie (PCM2E), Université de Tours, Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Université de Bordeaux (UB), Département de Chimie Moléculaire - Chimie Inorganique Redox Biomimétique (DCM - CIRE), Département de Chimie Moléculaire (DCM), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Joseph Fourier - Grenoble 1 (UJF), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université de Tours (UT)

Subjects
Denticity, Solid state reactivity, Inorganic chemistry, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Biochemistry, Coordination complex, law.invention, Inorganic Chemistry, chemistry.chemical_compound, law, Environmental Chemistry, Molecule, Carboxylate, Physical and Theoretical Chemistry, Electron paramagnetic resonance, Fluorous chemistry, chemistry.chemical_classification, 010405 organic chemistry, Organic Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, Magnetic susceptibility, Copper, 0104 chemical sciences, Crystallography, Monomer, chemistry, Copper(II)-carboxylate complexes, Humidity sensing, Coordination compounds, Magnetic sponge
Abstract

International audience; Reacting the fluorous carboxylate C8F17CO2*HNEt3 with Cu(OTf)2 in acetone leads, depending on the carboxylate/copper ratio, either to the neutral dimeric complex [Cu2(C8F17CO2)4(acetone)2] (2), or to the dianionic monomeric complex [Cu(C8F17CO2)4](HNEt3)2 (4). Both complexes were characterized by IR, UV-vis and EPR spectroscopies, magnetic susceptibility measurements and X-ray diffraction analysis. The complex 2 displays the classical dimeric "paddlewheel" structure with four carboxylates bridging the two copper(II) ions while the complex 4 displays an unusual monomeric structure with four monodentate carboxylates bounded to the copper(II) in a square planar geometry. In contrast to 4, the complex 2 shows a very high affinity for water vapors in the solid state and behaves as a magnetic sponge. When exposed to air, ground crystals of 2 rapidly trap up to 6 water molecules per copper ion leading to a decrease of the magnetic coupling from 2J = −480 cm−1 to 2J = −7 cm−1. The hydration process is accompanied by drastic changes of the EPR and FTIR spectra, revealing that the binding of the water molecules to the copper atoms leads to the release of the acetone ligands from the solid and to the shifting of two carboxylates from bridging bidentate to non-bridging monodentate coordination mode. When hydrated 2 is exposed to high vacuum, the water molecules are removed from the solid. The dehydration process leads to the partial recovery of the antiferromagnetic coupling between the copper(II) ions as revealed by EPR and magnetic susceptibility measurements. These data show that the hydration/dehydration process is not accompanied by a fully reversible structural rearrangement in the solid state. The unusual affinity for water and consequently, the modification of the magnetic properties, is observed neither with the fluorous dimeric complex 1, nor with the dianionic monomeric complex 4.

Published
2012

18. Ocelotl: Large Trace Overviews Based on Multidimensional Data Aggregation

Author

Guillaume Huard, Lucas Mello Schnorr, Jean-Marc Vincent, Damien Dosimont, Youenn Corre, PrograMming and scheduling design fOr Applications in Interactive Simulation (MOAIS), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), Instituto de Informática da UFRGS (UFRGS), Universidade Federal do Rio Grande do Sul [Porto Alegre] (UFRGS), Middleware efficiently scalable (MESCAL), Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), and Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)

Subjects
Creative visualization, Computer science, media_common.quotation_subject, Multidimensional data, Preemption, [INFO.INFO-SE]Computer Science [cs]/Software Engineering [cs.SE], 010103 numerical & computational mathematics, 02 engineering and technology, computer.software_genre, 01 natural sciences, Visualization, [INFO.INFO-PF]Computer Science [cs]/Performance [cs.PF], [INFO.INFO-MA]Computer Science [cs]/Multiagent Systems [cs.MA], [INFO.INFO-IT]Computer Science [cs]/Information Theory [cs.IT], Scalability, 0202 electrical engineering, electronic engineering, information engineering, 020201 artificial intelligence & image processing, Data mining, [INFO.INFO-DC]Computer Science [cs]/Distributed, Parallel, and Cluster Computing [cs.DC], 0101 mathematics, computer, media_common, TRACE (psycholinguistics)
Abstract

International audience; Performance analysis of parallel applications is commonly based on execution traces that might be investigated through visualization techniques. The weak scalability of such techniques appears when traces get larger both in time (many events registered) and space (many processing elements), a very common situation for current large-scale HPC applications. In this paper we present an approach to tackle such scenarios in order to give a correct overview of the behavior registered in very large traces. Two configurable and controlled aggregation-based techniques are presented: one based exclusively on the temporal aggregation, and another that consists in a spatiotemporal aggregation algorithm. The paper also details the implementation and evaluation of these techniques in Ocelotl, a performance analysis and visualization tool that overcomes the current graphical and interpretation limitations by providing a concise overview registered on traces. The experimental results show that Ocelotl helps in detecting quickly and accurately anomalies in 8 GB traces containing up to two hundred million of events.

Published
2015

19. Copper( i )-photocatalyzed trifluoromethylation of alkenes

Author

Dominique Lastecoueres, Arnaud Tron, Florian Molton, Nathan D. McClenaghan, Redouane Beniazza, Jean-Marc Vincent, Carole Duboc, Département de Chimie Moléculaire - Chimie Inorganique Redox Biomimétique (DCM - CIRE), Département de Chimie Moléculaire (DCM), and Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Joseph Fourier - Grenoble 1 (UJF)

Subjects
010405 organic chemistry, Trifluoromethylation, Metals and Alloys, Low copper, chemistry.chemical_element, General Chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, Copper, Catalysis, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry, Materials Chemistry, Ceramics and Composites, Organic chemistry, [CHIM]Chemical Sciences, ComputingMilieux_MISCELLANEOUS
Abstract

Using the photoreducible CuII precatalyst 2, trifluoromethylation of terminal alkenes can be conducted at low copper loading on exposing the reaction mixture to sunlight/ambient light.

Published
2015

20. Organocatalyzed Step-Growth Polymerization through Desymmetrization of Cyclic Anhydrides: Synthesis of Chiral Polyesters

Author

Yannick Landais, Frédéric Robert, Daniel Taton, Henri Cramail, Anthony Martin, Jean-Marc Vincent, Institut des Sciences Moléculaires (ISM), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Université Sciences et Technologies - Bordeaux 1-Université Montesquieu - Bordeaux 4-Institut de Chimie du CNRS (INC), Laboratoire de Chimie des Polymères Organiques (LCPO), Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC), Team 1 LCPO : Polymerization Catalyses & Engineering, Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC), and Team 2 LCPO : Biopolymers & Bio-sourced Polymers

Subjects
anhydrides, Diol, polyesters, 010402 general chemistry, FUNCTIONAL THEORY CALCULATIONS, 01 natural sciences, Ring-opening polymerization, Desymmetrization, Catalysis, CHROMATOGRAPHIC-SEPARATION, desymmetrization, chemistry.chemical_compound, OPTICALLY-ACTIVE POLYMERS, ASYMMETRIC-SELECTIVE POLYMERIZATION, enantioselectivity, Organic chemistry, organocatalysis, (RS)-ALPHA-METHYLBENZYL METHACRYLATE, VIBRATIONAL CIRCULAR-DICHROISM, 010405 organic chemistry, Organic Chemistry, ALPHA-OLEFINS, Stereoisomerism, General Chemistry, MUKAIYAMA ALDOL REACTION, 3. Good health, 0104 chemical sciences, Step-growth polymerization, Polyester, Chiral column chromatography, RING-OPENING POLYMERIZATION, Monomer, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Polymerization, polymerization, ENANTIOSELECTIVE CYCLOPOLYMERIZATION
Abstract

International audience; The polymerization of prochiral bis-anhydrides with diols catalyzed by a cinchona alkaloid was shown to provide chiral polyesters in good yields and with high levels of stereocontrol. The structures of the polyesters were determined by H-1 and C-13 NMR analyses, whereas their size was estimated by both size-exclusion chromatography (SEC) and MALDI-TOF mass spectrometry, which indicated that moderate degrees of polymerization were attained through this step-growth polymerization. The enantioselectivity of the process was evaluated by using chiral HPLC analysis of the bis-lactones resulting from a controlled chemoselective degradation of the polyesters. The best stereocontrol was reached for oligomers formed from bis-anhydride and diol monomers bearing rigid aromatic spacers between the reactive functional groups. In this case, average enantioselectivities were comparable to those observed during ring-opening of simple anhydrides with similar alcohols. In contrast, the use of more flexible spacers between reactive entities generally led to lower levels of stereocontrol.

Published
2014

21. A perfect sampling algorithm of random walks with forbidden arcs

Author

Jean-Marc Vincent, Florence Perronnin, Bruno Gaujal, Stéphane Durand, Middleware efficiently scalable (MESCAL), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), INRIA, ANR-12-MONU-0019,MARMOTE,Outils et environnements de modélisation markovienne(2012), and Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)

Subjects
Discrete mathematics, Stationary distribution, Markov chain, Sample (statistics), random walks, 16. Peace & justice, Random walk, Coupling (probability), 01 natural sciences, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, Combinatorics, Set (abstract data type), Arc (geometry), 010104 statistics & probability, Coupling from the past, TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITY, 0103 physical sciences, Perfect simulation, 0101 mathematics, 010306 general physics, Algorithm, Mathematics
Abstract

International audience; In this paper we show how to construct an algorithm to sample the stationary distribution of a random walk over ${1,...,N}^d$ with forbidden arcs. This algorithm combines the rejection method and coupling from the past of a set of trajectories of the Markov chain that generalizes the classical sandwich approach. We also provide a complexity analysis of this approach in several cases showing a coupling time in $O(N^2 d log d )$ when no arc is forbidden and an experimental study of its performance.

Published
2014

22. Trace Management and Analysis for Embedded Systems

Author

Jean-Marc Vincent, Generoso Pagano, Vania Marangozova-Martin, Guillaume Huard, Damien Dosimont, Middleware efficiently scalable (MESCAL), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF), PrograMming and scheduling design fOr Applications in Interactive Simulation (MOAIS), Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), IEEE, Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF), SoC-Trace, INRIA, Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), and Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)

Subjects
analysis tools, Computer science, [INFO.INFO-DS]Computer Science [cs]/Data Structures and Algorithms [cs.DS], Execution traces, Context (language use), 0102 computer and information sciences, 02 engineering and technology, Tracing, infrastructure, 01 natural sciences, Data visualization, data-model, trace formats, 0202 electrical engineering, electronic engineering, information engineering, database, visualization, scalability, modularity, TRACE (psycholinguistics), Profiling (computer programming), business.industry, multicore, aggregation, 020207 software engineering, debugging, Visualization, [INFO.INFO-PF]Computer Science [cs]/Performance [cs.PF], Data model, 010201 computation theory & mathematics, Embedded system, Scalability, embedded systems, [INFO.INFO-ES]Computer Science [cs]/Embedded Systems, SoC, profiling, business, trace management
Abstract

The growing complexity of embedded system hardware and software makes their behavior analysis a challenging task. In this context, tracing appears to be a promising solution as it provides relevant information about the system execution. However, trace management and analysis are hindered by several issues like the diversity of trace formats, the incompatibility of trace analysis methods, the problem of trace size and its storage as well as by the lack of visualization scalability. In this paper we present FrameSoC, a new trace management infrastructure that solves all the above issues together. It provides generic solutions for trace storage and defines interfaces and plugin mechanisms for integrating diverse analysis tools. We illustrate the benefit of FrameSoC with a case study of a visualization module that enables representation scalability of large traces by using an aggregation algorithm.; La complexité croissante de l'architecture matérielle et logicielle des systèmes embarqués rend l'analyse de leur comportement difficile. Face à cela, l'utilisation de traces apparaît comme une solution incontournable afin de fournir des informations pertinentes sur l'exécution de programmes. Cependant, la gestion de ces traces et leur analyse posent un certain nombre de contraintes, liées notamment à la diversité des formats de traces, l'incompatibilité des méthodes d'analyse de traces, la taille volumineuse et le stockage de ces dernières, mais aussi au niveau du passage à l'échelle des techniques de visualisation employées pour les représenter. Dans ce papier, nous présentons FrameSoC, une nouvelle infrastructure de gestion de traces qui répond aux problèmes susmentionnés. FrameSoC fournit des solutions génériques pour le stockage des traces, propose des interfaces et permet l'intégration de différents outils d'analyse sous forme de plugin. Un module de visualisation, fournissant une représentation passant à l'échelle basée sur un algorithme d'agrégation, sera décrit pour illustrer les fonctionnalités de FrameSoC.

Published
2013

23. How to Build the Best Macroscopic Description of Your Multi-Agent System?

Author

Jean-Marc Vincent, Robin Lamarche-Perrin, Yves Demazeau, Laboratoire d'Informatique de Grenoble (LIG), Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), Modélisation d’agents autonomes en univers multi-agents (MAGMA), Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), Middleware efficiently scalable (MESCAL), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF), MAGMA, Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, and Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)

Subjects
Theoretical computer science, Computer science, Process (engineering), Multi-agent system, media_common.quotation_subject, 020207 software engineering, 02 engineering and technology, Information theory, 01 natural sciences, 010305 fluids & plasmas, Domain (software engineering), Debugging, 0103 physical sciences, 0202 electrical engineering, electronic engineering, information engineering, Key (cryptography), Quality (business), State (computer science), [INFO.INFO-DC]Computer Science [cs]/Distributed, Parallel, and Cluster Computing [cs.DC], media_common
Abstract

International audience; The design and debugging of large-scale MAS require abstraction tools in order to work at a macroscopic level of description. Agent aggregation provides such abstractions by reducing the complexity of the microscopic description. Since it leads to an information loss, such a key process may be extremely harmful for the analysis if poorly executed. This paper presents measures inherited from information theory to evaluate abstractions and provide the experts with feedback regarding the quality of generated descriptions. Several evaluation techniques are applied to the spatial aggregation of an agent-based model of international relations. The information from on-line newspapers constitutes a complex microscopic description of agent states. Our approach is able to evaluate geographical abstractions used by the domain experts in order to provide efficient and meaningful macroscopic descriptions of the world global state.

Published
2013

24. Copper Catalyst Activation Driven by Photoinduced Electron Transfer: A Prototype Photolatent Click Catalyst

Author

Nathan D. McClenaghan, Brice Kauffmann, Jean-Marc Vincent, Sarah Cadet, Luca Scarpantonio, Pinar Batat, Dominique Lastecoueres, Lydie Harmand, Gediminas Jonusauskas, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut Européen de Chimie et Biologie (IECB), Université de Bordeaux (UB)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Ondes et Matière d'Aquitaine (LOMA), Université de Bordeaux (UB)-Centre National de la Recherche Scientifique (CNRS), The University of Bordeaux 1, the CNRS, the Région Aquitaine, and the European Research Council, Bergeret, Bernadette, and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
chemistry.chemical_element, Photochemistry, 010402 general chemistry, 01 natural sciences, Catalysis, Photoinduced electron transfer, [PHYS.PHYS.PHYS-CHEM-PH] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], chemistry.chemical_compound, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Irradiation, Argon, Chemistry, 010405 organic chemistry, [CHIM.CATA] Chemical Sciences/Catalysis, Light irradiation, General Chemistry, General Medicine, [CHIM.CATA]Chemical Sciences/Catalysis, [CHIM.COOR] Chemical Sciences/Coordination chemistry, Copper, Huisgen cycloaddition, 0104 chemical sciences, photolatent catalysts, copper, click chemistry, Click chemistry, photocontrolled catalysts, Methanol, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Abstract

International audience; While the copper(II) tren ketoprofenate precatalyst 1 is inactive at room temperature in methanol, it is quantitatively and rapidly reduced to its cuprous state upon light irradiation to provide a highly reactive click catalyst. By simply introducing air into the reaction medium the catalysis can be switched off and then switched on again by bubbling argon followed by irradiation.

Published
2012

25. PSI2 : Envelope Perfect Sampling of Non Monotone Systems

Author

Bruno Gaujal, Jean-Marc Vincent, Ana Bušić, Gaël Gorgo, Theory of networks and communications (TREC), Département d'informatique - ENS Paris (DI-ENS), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Inria Paris-Rocquencourt, Institut National de Recherche en Informatique et en Automatique (Inria), Middleware efficiently scalable (MESCAL), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Inria Paris-Rocquencourt, Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF), Département d'informatique de l'École normale supérieure (DI-ENS), École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS Paris), Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, and Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)

Subjects
Mathematical optimization, Queueing theory, Stationary distribution, Markov chain, Joins, Markov process, 0102 computer and information sciences, 01 natural sciences, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, Electronic mail, 010104 statistics & probability, symbols.namesake, [INFO.INFO-PF]Computer Science [cs]/Performance [cs.PF], Monotone polygon, 010201 computation theory & mathematics, symbols, 0101 mathematics, Algorithm, Mathematics, Envelope (motion)
Abstract

International audience; The famed perfect sampling method of Propp and Wilson [3] uses a backward coupling scheme to compute unbiased samples of the stationary distribution of Markov chains. It has been implemented in a software tool, called PSI2, that proved very efficient for monotone chains coming from queuing networks [4]. However, when the system includes at least one nonmonotone event, the backward simulation scheme has to consider all possible states as starting points. This can be avoided by taking a new point of view that consists in bounding all possible trajectories of the Markov chain by envelopes. The new version of PSI2 presented here implements these latest improvements, including envelope techniques and splitting. Envelopes have been introduced by Buˇsi'c et al [1]. As soon as envelopes couple, then all trajectories must have coupled, so that an unbiased sample is obtained. As for splitting, it consists in generating all the trajectories of the Markov chains inside the envelopes to run a classical backward coupling technique from that point on. Combining these two techniques in PSI2 makes it a more efficient tool that covers a wider class of queuing networks than previously. This includes networks with non-monotone events such as negative customers, arrivals by batches, forks and joins as well as cox-distribution for services.

Published
2010

26. Perfect Sampling of Load Sharing Policies in Large Scale Distributed Systems

Author

Gaël Gorgo, Jean-Marc Vincent, Middleware efficiently scalable (MESCAL), Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), and Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Mathematical optimization, Stationary distribution, Computer science, Distributed computing, Markov process, Sampling (statistics), 0102 computer and information sciences, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, 01 natural sciences, [INFO.INFO-PF]Computer Science [cs]/Performance [cs.PF], 010104 statistics & probability, symbols.namesake, Monotone polygon, 010201 computation theory & mathematics, Work stealing, Kernel (statistics), symbols, State space, 0101 mathematics, Dimensioning
Abstract

International audience; This article presents a performance evaluation method for the dimensioning of load sharing policies in high performance distributed systems such as clusters and grids. Even for moderate system size, the corresponding Markovian models are not tractable neither analytically nor numerically.We propose a modelling framework and a simulation kernel which provides an unbiased sampling of the stationary distribution. As needed by the Propp & Wilson algorithm, we prove that events of load sharing systems preserve partial ordering on the state space (monotone events) that guarantees the simulation efficiency. This has been tested on large scale models (about 1000 nodes) in the psi2 simulation framework and applied for the comparison between work sharing and work stealing policies performances and for the optimisation of parameters such as the control rate and the probing depth.

Published
2010

27. Dramatic solid-state humidity-induced modification of the magnetic coupling in a dimeric fluorous copper(II)−carboxylate complex

Author

Corine Mathonière, Artur Motreff, Mathieu Duttine, Carole Duboc, Hassan Allouchi, Jean-Marc Vincent, Rosenildo Correa da Costa, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de chimie physique, Faculté de Pharmacie, Université de Tours (UT), Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Université de Bordeaux (UB), Département de Chimie Moléculaire - Chimie Inorganique Redox Biomimétique (DCM - CIRE), Département de Chimie Moléculaire (DCM), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Joseph Fourier - Grenoble 1 (UJF), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Université Sciences et Technologies - Bordeaux 1-Université Montesquieu - Bordeaux 4-Institut de Chimie du CNRS (INC), and Université de Tours

Subjects
010405 organic chemistry, Inorganic chemistry, Solid-state, Humidity, chemistry.chemical_element, [CHIM.MATE]Chemical Sciences/Material chemistry, 010402 general chemistry, 01 natural sciences, Inductive coupling, Copper, 0104 chemical sciences, law.invention, Ion, Inorganic Chemistry, chemistry.chemical_compound, chemistry, law, Acetone, Carboxylate, Physical and Theoretical Chemistry, Electron paramagnetic resonance
Abstract

International audience; The very fast and efficient water vapor absorption of the dimeric fluorous copper(II)-carboxylate complex [Cu(2)(C(8)F(17)CO(2))(4)(acetone)(2)] (1) leads, in the solid state, to a dramatic decrease of the exchange magnetic coupling between the copper(II) ions and to a drastic change of its powder EPR spectrum.

Published
2009

28. Different Monotonicity Definitions in Stochastic Modelling

Author

Jean-Marc Vincent, Nihal Pekergin, Imène Kadi, Laboratoire d'Algorithmique Complexité et Logique (LACL), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Middleware efficiently scalable (MESCAL), Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), and Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)

Subjects
TheoryofComputation_MISCELLANEOUS, Mathematical optimization, Relation (database), Stochastic modelling, Monotonic function, 0102 computer and information sciences, 16. Peace & justice, 01 natural sciences, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, 010104 statistics & probability, [INFO.INFO-PF]Computer Science [cs]/Performance [cs.PF], 010201 computation theory & mathematics, Bounding overwatch, Order (exchange), State space, Applied mathematics, 0101 mathematics, Mathematics
Abstract

International audience; In this paper we discuss different monotonicity definitions applied in stochastic modelling. Obviously, the relationships between the monotonicity concepts depends on the relation order that we consider on the state space. In the case of total ordering, the stochastic monotonicity used to build bounding models and the realizable monotonicity used in perfect simulation are equivalent to each other while in the case of partial order there is only implication between them. Indeed, there are cases of partial order, where we cannot move from the stochastic monotonicity to the realizable monotonicity, this is why we will try to find the conditions for which there are equivalences between these two notions. In this study, we will present some examples to give better intuition and explanation of these concepts.

Published
2009

29. Perfect Simulation and Non-monotone Markovian Systems

Author

Jean-Marc Vincent, Bruno Gaujal, Ana Bušić, Middleware efficiently scalable (MESCAL), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, and Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)

Subjects
TheoryofComputation_MISCELLANEOUS, Discrete mathematics, 0209 industrial biotechnology, Sequence, Markov chain mixing time, Markov chain, Markov process, 02 engineering and technology, 01 natural sciences, Infimum and supremum, 010104 statistics & probability, symbols.namesake, 020901 industrial engineering & automation, Monotone polygon, Coupling from the past, Discrete time and continuous time, symbols, Applied mathematics, [INFO.INFO-DC]Computer Science [cs]/Distributed, Parallel, and Cluster Computing [cs.DC], 0101 mathematics, Mathematics
Abstract

Perfect simulation, or coupling from the past, is an efficient technique for sampling the steady state of monotone discrete time Markov chains. Indeed, one only needs to consider two trajectories corresponding to minimal and maximal state in the system. We show here that even for non-monotone systems one only needs to compute two trajectories: an infimum and supremum envelope. Since the sequence of states obtained by taking infimum (resp. supremum) at each time step does not correspond to a feasible trajectory of the system, the envelopes might not couple or the coupling time might be larger. We show that the envelope approach is efficient for some classes of non-monotone queuing networks, such as networks of queues with batch arrivals, queues with fork and join nodes and/or with negative customers.

Published
2008

30. Evaluation of Multi-Agent Systems: The case of Interaction

Author

Hussein Joumaa, Jean-Marc Vincent, Yves Demazeau, Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF), Middleware efficiently scalable (MESCAL), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), and Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Quantities of information, 010201 computation theory & mathematics, Computer science, Human–computer interaction, Distributed computing, Multi-agent system, 0202 electrical engineering, electronic engineering, information engineering, 020201 artificial intelligence & image processing, 0102 computer and information sciences, 02 engineering and technology, [INFO.INFO-DC]Computer Science [cs]/Distributed, Parallel, and Cluster Computing [cs.DC], 01 natural sciences, Implementation
Abstract

International audience; This paper deals with the evaluation of Multi-Agent Systems (MAS) at the level of their interaction. Two problems that may be a bias in the evaluation and measurement of interaction are discussed. The first one is the difference between the quantities of information carried by a unit of interaction in two systems having different architectures. The second one concerns the interaction units that are received and cannot be exploited by the agent. In this work, an evaluation based on the weight of the information brought by an interaction is suggested. In order to achieve this, a MAS model, on which the evaluation is based, is defined. Then, the different problems and solutions which will help to evaluate the interaction are studied. Finally, the approach is applied on two different implementations that solve the same problem.

Published
2008

31. Preface

Author

Jean-Marc Vincent, Thierry Brigaud, Dominique Cahard, Institut des Sciences Moléculaires (ISM), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Université Sciences et Technologies - Bordeaux 1-Université Montesquieu - Bordeaux 4-Institut de Chimie du CNRS (INC), Chimie Organique et Bioorganique : Réactivité et Analyse (COBRA), Institut Normand de Chimie Moléculaire Médicinale et Macromoléculaire (INC3M), Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Université Le Havre Normandie (ULH), Normandie Université (NU)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie Organique Fine (IRCOF), Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Inorganic Chemistry, 010405 organic chemistry, Organic Chemistry, [CHIM]Chemical Sciences, Environmental Chemistry, Physical and Theoretical Chemistry, 010402 general chemistry, 01 natural sciences, Biochemistry, ComputingMilieux_MISCELLANEOUS, 0104 chemical sciences
Abstract

International audience

Published
2015

32. Reversible hydrocarbon/perfluorocarbon phase-switching of [Ru(bipy)3]2+ driven by supramolecular heteromeric fluorous carboxylate–carboxylic acid H-bond interactions

Author

Nathan D. McClenaghan, André Del Guerzo, Thierry Buffeteau, Rosenildo Correa da Costa, and Jean-Marc Vincent

Subjects
Carboxylic acid, Carboxylic Acids, Supramolecular chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, Catalysis, chemistry.chemical_compound, Organometallic Compounds, Materials Chemistry, Photosensitizer, Carboxylate, chemistry.chemical_classification, Photosensitizing Agents, 010405 organic chemistry, Singlet oxygen, Hydrogen bond, Metals and Alloys, Hydrogen Bonding, Fluorine, General Chemistry, Hydrocarbons, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Dication, chemistry, Ceramics and Composites, Luminescence
Abstract

The Ru(bipy)(3) dication is efficiently and reversibly transferred into perfluorocarbons due to the formation of a highly fluorophillic hydrogen-bonded fluorous carboxylate-carboxylic acid counter-anion, whilst retaining key luminescence and photosensitizer characteristics, for example in singlet oxygen production.

Published
2011

33. Perfect Sampling of Networks with Finite and Infinite Capacity Queues

Author

Florence Perronnin, Bruno Gaujal, Ana Bušić, Theory of networks and communications (TREC), Département d'informatique de l'École normale supérieure (DI-ENS), École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Inria Paris-Rocquencourt, Institut National de Recherche en Informatique et en Automatique (Inria), Middleware efficiently scalable (MESCAL), Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), Informatique et Distribution (ID-IMAG), Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Inria Grenoble - Rhône-Alpes, Khalid Al-Begain and Dieter Fiems and Jean-Marc Vincent, Département d'informatique - ENS Paris (DI-ENS), Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Inria Paris-Rocquencourt, Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire d'Informatique de Grenoble (LIG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS-PSL), and Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre Mendès France - Grenoble 2 (UPMF)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Queueing theory, Mathematical optimization, Stationary distribution, Markov chain, Sampling (statistics), 020206 networking & telecommunications, 02 engineering and technology, 01 natural sciences, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, 010104 statistics & probability, [INFO.INFO-PF]Computer Science [cs]/Performance [cs.PF], Coupling from the past, Jackson network, 0202 electrical engineering, electronic engineering, information engineering, Applied mathematics, State space, 0101 mathematics, Queue, Mathematics
Abstract

International audience; We consider open Jackson queueing networks with mixed finite and infinite buffers and analyze the efficiency of sampling from their exact stationary distribution. We show that perfect sampling is possible, although the underlying Markov chain has a large or even infinite state space. The main idea is to use a Jackson network with infinite buffers (that has a product form stationary distribution) to bound the number of initial conditions to be considered in the coupling from the past scheme. We also provide bounds on the sampling time of this new perfect sampling algorithm under hyper-stability conditions (to be defined in the paper) for each queue. These bounds show that the new algorithm is considerably more efficient than existing perfect samplers even in the case where all queues are finite. We illustrate this efficiency through numerical experiments.

Published
2012

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