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13,512 results on '"Institut National Polytechnique (Toulouse) (Toulouse INP)"'

1. Tuning absorption and emission in monolayer semiconductors: a brief survey

Author: Xavier Marie, Cedric Robert, Lei Ren, M. A. Semina, Mikhail M. Glazov, Bernhard Urbaszek, Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), A.F. Ioffe Physical-Technical Institute, and Russian Academy of Sciences [Moscow] (RAS)
Subjects: Materials science, business.industry, Analytical chemistry, General Physics and Astronomy, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Semiconductor, 0103 physical sciences, Monolayer, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 010306 general physics, 0210 nano-technology, business, Absorption (electromagnetic radiation), ComputingMilieux_MISCELLANEOUS
Abstract: International audience
Published: 2022

2. Mixotrophy in aquatic plants, an overlooked ability

Author: Antoine Firmin, Marc-André Selosse, Christophe Dunand, Arnaud Elger, Laboratoire Ecologie Fonctionnelle et Environnement (ECOLAB), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS), Institut de Systématique, Evolution, Biodiversité (ISYEB ), Muséum national d'Histoire naturelle (MNHN)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université des Antilles (UA), University of Gdańsk (UG), Dynamique et Evolution des Parois cellulaires végétales, Laboratoire de Recherche en Sciences Végétales (LRSV), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), and Université Fédérale Toulouse Midi-Pyrénées
Subjects: 0106 biological sciences, Heterotroph, Plant Science, Biology, 01 natural sciences, Carbon Cycle, 03 medical and health sciences, mixotrophy, Aquatic plant, [SDV.BV]Life Sciences [q-bio]/Vegetal Biology, Organic matter, 14. Life underwater, Autotroph, Ecosystem, 030304 developmental biology, chemistry.chemical_classification, heterotrophy, Autotrophic Processes, 0303 health sciences, Ecology, 010604 marine biology & hydrobiology, Aquatic ecosystem, Plants, 15. Life on land, dissolved organic carbon, Carbon, 6. Clean water, aquatic plant, chemistry, Mixotroph
Abstract: International audience; Aquatic plants are crucial for the proper functioning of aquatic environments. So far, mixotrophy, widespread in aquatic microbial communities and in certain terrestrial plants, has been studied rarely in aquatic plants other than carnivorous ones. New evidence, particularly in Lemna and other close genera, suggests that mixotrophy is much more widespread than previously thought. Three processes could be involved, namely biotrophic associations, capture of prey (e.g., in carnivorous plants), and absorbotrophy (uptake of dissolved organic carbon). The latter process seems to be the most probable hypothesis in regard to the physiology of aquatic plants, but further research at both organism and cellular levels is needed to understand and clarify the processes involved and their importance. This opinion opens a new window of opportunity in aquatic ecology, with possible unsuspected applications in water management.
Published: 2022

3. Carleman estimates for the wave equation in heterogeneous media with non-convex interface

Author: Lucie Baudouin, Pamela Godoy, Alberto Mercado, Équipe Méthodes et Algorithmes en Commande (LAAS-MAC), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), Universidad Tecnica Federico Santa Maria [Valparaiso] (UTFSM), ANR-11-LABX-0040,CIMI,Centre International de Mathématiques et d'Informatique (de Toulouse)(2011), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), and Université Fédérale Toulouse Midi-Pyrénées
Subjects: Transmission system, Applied Mathematics, 010102 general mathematics, Wave equation, 02 engineering and technology, [MATH]Mathematics [math], 0101 mathematics, Carleman estimates, 021001 nanoscience & nanotechnology, 0210 nano-technology, 01 natural sciences, Analysis
Abstract: International audience; A wave equation whose main coefficient is discontinuous models the evolution of waves amplitude in a media composed of at least two different materials, in which the propagation speed is different. In our mathematical setting, the spatial domain where the partial differential equation evolves is an open bounded subset of R^2 and the wave speed is assumed to be constant in each one of two sub-domains, separated by a smooth and possibly non-convex interface. This article is concerned with the construction of Carleman weights for this wave operator, allowing generalizations of previous results to the case of an interface that is not necessarily the boundary of a convex set. Indeed, using the orthogonal projection onto this interface, we define convex functions satisfying the transmission conditions imposed by the equation, such that, under usual hypothesis on the sign of the jump of the wave speed, can be used as Carleman weights.
Published: 2022

4. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides

Author: Jean-Pascal Sutter, Sakharam B. Tayade, Nattamai Bhuvanesh, Avinash S. Kumbhar, Abhineet Verma, Kateryna Bretosh, Joseph H. Reibenspies, Sailaja S. Sunkari, Department of Chemistry, Banaras Hindu University, Banaras Hindu University [Varanasi] (BHU), Texas A&M University [Galveston], Savitribai Phule Pune University [India], Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), DST, New Delhi, India (Project code : DST/YSS/2015/000993), Institut de Chimie de Toulouse (ICT), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), and Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)
Subjects: chemistry.chemical_classification, 010405 organic chemistry, Chemistry, Metal ions in aqueous solution, General Chemistry, Dihedral angle, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Metal, chemistry.chemical_compound, Crystallography, Cyclen, visual_art, visual_art.visual_art_medium, Antiferromagnetism, Molecule, [CHIM.COOR]Chemical Sciences/Coordination chemistry, General Materials Science, Counterion, Conformational isomerism
Abstract: International audience; Serendipitous self-assembly is a potential approach for achieving structurally versatile and unexpected solids with chosen metal–ligand combinations. Cyclen (1,4,7,10-tetraazacyclododecane) is an interesting flexible molecule, well explored for biological and material applications of its metal complexes. The dihedral angle (θ) between four nitrogen atoms of free cyclen is close to 0°. Still, it may vary upon complexation, allowing flexibility to adopt any two conformers, viz., (i) planar and (ii) twisted. The present work establishes the crucial role of metal ions in controlling the conformation adopted by cyclen through metal complexation. SCXRD studies of the complexes of cyclen with CuII and NiII with halides and pseudohalides as counterions reveal the existence of a planar conformation (θ = ∼0–3°) for cyclen in CuII systems and a highly twisted conformation (hitherto unreported) in NiII systems (θ = ∼52–55°). Further, SQUID magnetic studies for the dimeric [Ni1] complex reveal antiferromagnetic interactions between the two Ni centres.
Published: 2022

5. Trait‐habitat associations explain novel bird assemblages mixing native and alien species across New Zealand landscapes

Author: Paul Dufour, Marc Deconchat, Jean-Yves Barnagaud, Luc Barbaro, Raphael Mossion Mossion, Sandrine Pavoine, Eckehard G. Brockerhoff, Centre d’Ecologie Fonctionnelle et Evolutive (CEFE), Université Paul-Valéry - Montpellier 3 (UPVM)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), University of Canterbury [Christchurch], Swiss Federal Research Institute, Laboratoire d'Ecologie Alpine (LECA ), Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), Centre d'Ecologie et des Sciences de la COnservation (CESCO), Muséum national d'Histoire naturelle (MNHN)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Dynamiques et écologie des paysages agriforestiers (DYNAFOR), École nationale supérieure agronomique de Toulouse [ENSAT]-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Paul-Valéry - Montpellier 3 (UPVM)-École Pratique des Hautes Études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut Agro - Montpellier SupAgro, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), École nationale supérieure agronomique de Toulouse (ENSAT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Centre Mediterraneen de l'Environnement et de la Biodiversite: project BIOTA, and New Zealand Foundation for Research, Science and Technology C04X0214 GDR 3645 ECOSTAT
Subjects: 0106 biological sciences, bird communities, Ecology, phylogenetic analysis, [SDV]Life Sciences [q-bio], biological invasions, landscape composition, RLQ, 15. Life on land, Biology, ecological traits, 010603 evolutionary biology, 01 natural sciences, 010601 ecology, native habitats, Habitat, endemism, island, Trait, Endemism, Alien species, Ecology, Evolution, Behavior and Systematics, Mixing (physics)
Abstract: International audience; Aim: Species introductions have reshaped island faunas for the last 200 years, often threatening native biodiversity. Approximately equal numbers of native and alien species currently co-occur in the New Zealand avifauna, but they show distinct habitat use. Antagonistic interactions, habitat affinities and legacies of introduction history may concur to explain their segregation along habitat gradients. To investigate these processes, we explored how habitat, ecological traits and introduction history relate with the current composition of bird assemblages.Location New Zealand, Taxon BirdsMethods: We analysed 917 bird point counts spread along habitat and elevation gradients in the Canterbury region, South Island and related 10 ecological traits to landscape composition using a three-table ordination method known as “RLQ analysis”, accounting for spatial autocorrelation and phylogeny. We tested whether alien species’ positions in the RLQ were related to proxies of introduction history.Results: Eighteen endemic, 11 native and 19 alien species were distributed along a gradient from forest to open-habitat assemblages, in relation to foraging mode, nesting site and body size. A second gradient segregated species between native and exotic forests according to territoriality, sedentarity and diet. Traits accounted for the separation of native and alien bird species in forests, but not in open habitats. Phylogenetic signals emerged from the separation of native and alien species by forest type, and spatial structures suggested a landscape-level, rather than regional or local determinism. These correlations were independent of introduction history, although open-habitat assemblages tended to host alien species introduced later in time.Main conclusions: Habitat type and resource availability explain the spatial partitioning of New Zealand bird assemblages between native and alien species more consistently than competitive exclusion. We conclude that trait-mediated ecological differences among species have likely played a predominant role in species’ segregation among landscapes, while maintaining endemic bird assemblages in native forests.
Published: 2021

6. Two quantitative trait loci are associated with recapping of Varroa destructor ‐infested brood cells in Apis mellifera mellifera

Author: B Dainat, Markus Neuditschko, Alain Vignal, Sonia E. Eynard, Bertrand Servin, M Guichard, Agroscope, Génétique Physiologie et Systèmes d'Elevage (GenPhySE ), Ecole Nationale Vétérinaire de Toulouse (ENVT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-École nationale supérieure agronomique de Toulouse [ENSAT]-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and Swiss Natl Stud Farm
Subjects: 0106 biological sciences, Varroidae, [SDV]Life Sciences [q-bio], Quantitative Trait Loci, Quantitative trait locus, 010603 evolutionary biology, 01 natural sciences, Nesting Behavior, 03 medical and health sciences, Genetics, Animals, ComputingMilieux_MISCELLANEOUS, Apis cerana, 030304 developmental biology, 0303 health sciences, biology, Reproduction, fungi, food and beverages, General Medicine, Honey bee, Bees, biology.organism_classification, Genetic architecture, Brood, Varroa destructor, behavior and behavior mechanisms, Animal Science and Zoology, Varroa, France, Varroa sensitive hygiene, Switzerland, Genome-Wide Association Study
Abstract: Recapping of Varroa destructor-infested brood cells is a trait that has recently attracted interest in honey bee breeding to select mite-resistant Apis mellifera colonies. To investigate the genetic architecture of this trait, we evaluated a sample of A. mellifera mellifera colonies (N = 155) from Switzerland and France and performed a genome-wide association study, using a pool of 500 workers per colony for next-generation sequencing. The results revealed that two QTL were significantly (P < 0.05) associated with recapping of V. destructor-infested brood cells. The best-associated QTL is located on chromosome 5 in a region previously found to be associated with grooming behaviour, a resistance trait against V. destructor, in A. mellifera and Apis cerana. The second best-associated QTL is located on chromosome 4 in an intron of the Dscam gene, which is involved in neuronal wiring. Previous research demonstrated that genes involved in neuronal wiring are associated with recapping and varroa sensitive hygiene. Therefore, our study confirms the role of a gene region on chromosome 5 in social immunity and simultaneously provides novel insights into genetic interactions between common mite resistance traits in honey bees.
Published: 2021

7. Analysis of flocculation in a jet clarifier. Part 1 – Global and local hydrodynamic analysis

Author: Arnaud Cockx, Ploypailin Romphophak, Carole Coufort-Saudejaud, Alain Liné, Claude Le Men, Pisut Painmanakul, Toulouse Biotechnology Institute (TBI), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Chulalongkorn University [Bangkok], Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)
Subjects: Physics, Flocculation, Jet (fluid), Velocity gradient, General Chemical Engineering, General Chemistry, Mechanics, 010501 environmental sciences, Residence time (fluid dynamics), Particle image velocimetry, 01 natural sciences, Clarifier, 010305 fluids & plasmas, Shear rate, Settling, 0103 physical sciences, Hydrodynamics, Jet clarifier, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0105 earth and related environmental sciences
Abstract: International audience; Jet clarifier combines jet hydrodynamics, flocculation and settling in a unit operation. Generally, Camp and Stein G t parameter is recommended to evaluate clarifier efficiency, where G stands for a global velocity gradient and t a characteristic time scale (contact time). In this work, a quasi-two-dimensional jet clarifier is developed to make easier the hydrodynamic analysis of the flocculation zone of a jet clarifier. Measurements of instantaneous velocity field are performed by means of particle image velocimetry (PIV). PIV data are processed to visualise the strong circulation induced by the jet in the flocculation zone. Characteristic time scales related to macromixing are then extracted. Based on PIV data processing, local and instantaneous shear rate are estimated. The analysis of space averaged velocity gradient G is presented. The range of G is 2-15 s-1 whereas the residence time decreases from 4 to 1 h. Based on the hydrodynamic analysis, the parameter Gt is shown to be constant around 30,000 for different jet flow rates. Efficiency of such jet clarifier can thus be foreseen.
Published: 2021

8. Trinuclear Cyanido‐Bridged [Cr 2 Fe] Complexes: To Be or not to Be a Single‐Molecule Magnet, a Matter of Straightness

Author: Jean-Pascal Sutter, Céline Pichon, Carine Duhayon, Nathalie Guihéry, Valentin Jubault, Nicolas Suaud, Laboratoire de chimie de coordination (LCC), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Systèmes étendus et magnétisme (LCPQ) (SEM), Laboratoire de Chimie et Physique Quantiques Laboratoire (LCPQ), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), ANR-17-CE07-0007,AnisoChirMag,Anisotropie Optique au sein d'Aimants Moléculaires Chiraux: Vers une Lecture Optique de l'Orientation du Spin(2017), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie et Physique Quantiques (LCPQ), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
Subjects: Steric effects, 010405 organic chemistry, Chemistry, Magnetism, Organic Chemistry, Relaxation (NMR), General Chemistry, 010402 general chemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Magnetization, Crystallography, Magnetic anisotropy, Pentagonal bipyramidal molecular geometry, Single-molecule magnets, Anisotropy, Moiety, Single-molecule magnet, Ab initio calculations, Pentagonal bipyramid
Abstract: International audience; Trinuclear systems of formula [{Cr(LN3O2Ph)(CN)2}2M(H2LN3O2R)] (M=MnII and FeII, LN3O2R stands for pentadentate ligands) were prepared in order to assess the influence of the bending of the apical M−N≡C linkages on the magnetic anisotropy of the FeII derivatives and in turn on their Single-Molecule Magnet (SMM) behaviors. The cyanido-bridged [Cr2M] derivatives were obtained by assembling trans-dicyanido CrIII complex [Cr(LN3O2Ph)(CN)2]− and divalent pentagonal bipyramid complexes [MII(H2LN3O2R)]2+ with various R substituents (R=NH2, cyclohexyl, S,S-mandelic) imparting different steric demand to the central moiety of the complexes. A comparative examination of the structural and magnetic properties showed an obvious effect of the deviation from straightness of the M−N≡C alignment on the slow relaxation of the magnetization exhibited by the [Cr2Fe] complexes. Theoretical calculations have highlighted important effects of the bending of the apical C−N−Fe linkages on both the magnetic anisotropy of the FeII center and the exchange interactions with the CrIII units.
Published: 2021

9. Subsurface‐Carbon‐Induced Local Charge of Copper for an On‐Surface Displacement Reaction

Author: Ye Sun, Flemming Besenbacher, Cristina Mattioli, Wenlong E, Shaoshan Wang, Miao Yu, Lev Kantorovich, André Gourdon, Xueming Yang, Pengcheng Ding, Zhuo Li, Groupe NanoSciences (CEMES-GNS), Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Harbin Institute of Technology (HIT), Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences [Changchun Branch] (CAS), Center for Condensed Matter Science and Technology, Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Department of Physics, King's College London, Interdisciplinary Nanoscience Center (iNANO), and Aarhus University [Aarhus]
Subjects: Materials science, Proton, FOS: Physical sciences, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Catalysis, Carbide, Deprotonation, Physics - Chemical Physics, Atom, displacement reaction, on-surface synthesis, Single displacement reaction, Chemical Physics (physics.chem-ph), catalysis, [CHIM.ORGA]Chemical Sciences/Organic chemistry, 010405 organic chemistry, General Chemistry, Copper, displacement reactions, 0104 chemical sciences, Condensed Matter - Other Condensed Matter, Carbon doping, local charge, chemistry, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], Physical chemistry, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Carbon, Other Condensed Matter (cond-mat.other), carbon doping
Abstract: Transition metal carbides have sparked unprecedented enthusiasm as high-performance catalysts in recent years. Still, the catalytic properties of copper (Cu) carbide remain unexplored. By introducing subsurface carbon (C) to Cu(111), displacement reaction of proton in carboxyl acid group with single Cu atom is demonstrated at the atomic scale and room temperature. Its occurrence is attributed to the C-doping induced local charge of surface Cu atoms (up to +0.30 e/atom), which accelerates the rate of on-surface deprotonation via reduction of the corresponding energy barrier, thus enabling the instant displacement of a proton with a Cu atom when the molecules land on the surface. Such well-defined and robust Cu$^{\delta +}$ surface based on the subsurface C doping offers a novel catalytic platform for on-surface synthesis., Comment: Angewandte Chemie International Edition, Wiley-VCH Verlag, 2021
Published: 2021

10. Bottom-Up Design of Configurable Oligomer-Derived Conducting Metallopolymers for High-Power Electrochemical Energy Storage

Author: Evgeniya Vorobyeva, Mathieu Salanne, Maria R. Lukatskaya, Franziska Lissel, Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), Leibniz-Institut für Polymerforschung Dresden e.V. (IPF), Leibniz Association, Technische Universität Dresden = Dresden University of Technology (TU Dresden), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX (PHENIX), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institut Universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), and Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)
Subjects: Battery (electricity), Materials science, Metal ions in aqueous solution, Supramolecular chemistry, General Physics and Astronomy, chemistry.chemical_element, Nanotechnology, 02 engineering and technology, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Oligomer, Metal, [SPI]Engineering Sciences [physics], chemistry.chemical_compound, conjugated oligomers, Side chain, General Materials Science, Electrical conductor, supercapacitors, electrochemical energy storage, General Engineering, 021001 nanoscience & nanotechnology, conductive metallopolymers, 0104 chemical sciences, chemistry, visual_art, visual_art.visual_art_medium, Lithium, 0210 nano-technology
Abstract: International audience; In this Perspective, we sketch out a vision of fast charging and self-healable energy systems that are primarily organic, feature only abundant elements, and operate with ions other than lithium. Using conductive oligomers as highly configurable building blocks, it is possible to create intrinsically adaptable conductive polymeric networks that can be rejuvenated and recycled using simple and safe chemical treatments. Using the versatile organic chemistry toolbox, these oligomers can be further functionalized, for example, with redox-active side chains for high charge storage capacity and ligands capable of complexing metal centers. Cross-linking with metal ions converts the soluble oligomers into insoluble supramolecular networks to yield high-performing electrode materials. The oligomer-based approach can thus provide an exceptional level of control to the design of organic-based battery materials.
Published: 2021

11. Use of environmental DNA in assessment of fish functional and phylogenetic diversity

Author: Régis Hocdé, Sébastien Villéger, Pierre-Edouard Guerin, Sandra Bessudo, Tony Dejean, Jean-Baptiste Juhel, Loïc Pellissier, Nicolas Loiseau, Alice Valentini, David Mouillot, Giomar Helena Borrero-Pérez, Laure Velez, Virginie Marques, Paul Castagné, Tom B. Letessier, Andrea Polanco, MARine Biodiversity Exploitation and Conservation (UMR MARBEC), Institut de Recherche pour le Développement (IRD)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Centre d’Ecologie Fonctionnelle et Evolutive (CEFE), Université Paul-Valéry - Montpellier 3 (UPVM)-École Pratique des Hautes Études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut Agro - Montpellier SupAgro, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Toxicologie Intégrative & Métabolisme (ToxAlim-TIM), ToxAlim (ToxAlim), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Ecole Nationale Vétérinaire de Toulouse (ENVT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), SPYGEN [Le Bourget-du-Lac], Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), Institut Fédéral de Recherches sur la Forêt, la Neige et le Paysage (WSL), Institut Fédéral de Recherches [Suisse], Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Institut de Recherche pour le Développement (IRD), Université Paul-Valéry - Montpellier 3 (UPVM)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Vétérinaire de Toulouse (ENVT), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)
Subjects: 0106 biological sciences, Conservation of Natural Resources, marine protected area, [SDE.MCG]Environmental Sciences/Global Changes, Fishing, Biodiversity, Biology, video, 010603 evolutionary biology, 01 natural sciences, eDNA metabarcoding, 03 medical and health sciences, evolutionary, island, Animals, DNA Barcoding, Taxonomic, Hunting, Environmental DNA, functional traits, 14. Life underwater, Phylogeny, Ecology, Evolution, Behavior and Systematics, biodiversity, 030304 developmental biology, Nature and Landscape Conservation, 0303 health sciences, Ecology, Phylogenetic tree, Fishes, accumulation curves, DNA, Environmental, Phylogenetic diversity, tropical reefs, responses, %22">Fish , Malpelo, Marine protected area, Species richness, [SDE.BE]Environmental Sciences/Biodiversity and Ecology, reveals, Environmental Monitoring
Abstract: Assessing the impact of global changes and protection effectiveness is a key step in monitoring marine fishes. Most traditional census methods are demanding or destructive. Nondisturbing and nonlethal approaches based on video and environmental DNA are alternatives to underwater visual census or fishing. However, their ability to detect multiple biodiversity factors beyond traditional taxonomic diversity is still unknown. For bony fishes and elasmobranchs, we compared the performance of eDNA metabarcoding and long-term remote video to assess species' phylogenetic and functional diversity. We used 10 eDNA samples from 30 L of water each and 25 hr of underwater videos over 4 days on Malpelo Island (pacific coast of Colombia), a remote marine protected area. Metabarcoding of eDNA detected 66% more molecular operational taxonomic units (MOTUs) than species on video. We found 66 and 43 functional entities with a single eDNA marker and videos, respectively, and higher functional richness for eDNA than videos. Despite gaps in genetic reference databases, eDNA also detected a higher fish phylogenetic diversity than videos; accumulation curves showed how 1 eDNA transect detected as much phylogenetic diversity as 25 hr of video. Environmental DNA metabarcoding can be used to affordably, efficiently, and accurately census biodiversity factors in marine systems. Although taxonomic assignments are still limited by species coverage in genetic reference databases, use of MOTUs highlights the potential of eDNA metabarcoding once reference databases have expanded.Uso de ADN Ambiental en la Evaluación de la Diversidad Funcional y Filogenética de los Peces Resumen La evaluación del impacto de los cambios globales y la efectividad de la protección es un paso fundamental para el monitoreo de peces marinos. La mayoría de los métodos tradicionales de censos son demandantes o destructivos, por lo que las estrategias no letales y no intrusivas basadas en videograbaciones y en el ADN ambiental (ADNa) son alternativas a los censos visuales submarinos y a la pesca. Sin embargo, todavía no se conoce la habilidad que tienen estos métodos para detectar diferentes factores de la biodiversidad más allá de la diversidad taxonómica. Para los peces óseos y los elasmobranquios, comparamos el desempeño de la caracterización genética con ADNa y del video remoto de larga duración para evaluar la diversidad funcional y filogenética de las especies. Usamos diez muestras de ADNa tomadas de 30 litros de agua cada una y 25 horas de vídeos submarinos grabados durante cuatro días en la Isla Malpelo (costa del Pacífico de Colombia), un área marina protegida remota. La caracterización genética con el ADNa detectó 66% más unidades taxonómicas moleculares operacionales (UTMOs) que el video. Encontramos 66 y 43 entidades funcionales con un solo marcador de ADNa y con el video, respectivamente, y una riqueza funcional más alta para el ADNa que el video. A pesar de los vacíos en las bases de datos genéticos usadas como referencia, el ADNa también detectó una diversidad filogenética más alta que aquella en los videos; las curvas de acumulación mostraron cómo un solo transecto de ADNa detectó tanta diversidad filogenética como 25 horas de video. La caracterización genética con ADN ambiental puede usarse para censar los factores de biodiversidad de manera asequible, eficiente y certera en los sistemas marinos. Aunque las atribuciones taxonómicas todavía están limitadas por la cobertura de especies en las bases de datos genéticos de referencia, el uso de los UTMOs resalta el potencial que tiene la caracterización genética con ADNa una vez que las bases de datos de referencia sean expandidas.评估全球变化影响及保护有效性是海洋鱼类监测的关键步骤。然而, 大多数传统种群调查方法都有较高的要求或具有破坏性。基于视频和环境 DNA 的非干扰性、非致死性方法则是水下视觉调查或鱼类捕捞的替代方法。然而, 这些方法检测传统分类学多样性之外其它生物多样性因子的能力尚不清楚。本研究关注硬骨鱼类和软骨鱼类, 比较了环境 DNA宏条形码和长期远程视频监测在评估物种的系统发育多样性和功能多样性中的表现情况。我们在一个偏远的海洋保护区--马尔佩洛岛 (哥伦比亚太平洋海岸) , 收集了10个分别取自 30 升水体的环境 DNA 样品, 以及4天共25小时的水下视频。结果发现, 环境 DNA 宏条形码比水下视频多检测出66%的分子操作分类单元 (MOTUs) 。我们利用单一环境DNA标记或视频分别发现了66个和 43 个功能实体, 利用环境 DNA 检测出的功能丰富度高于水下视频。尽管遗传参考数据库仍存在一些空缺, 但环境DNA 还是比视频检测出更高的鱼类系统发育多样性;累积曲线展示了1个环境 DNA 样带检测到的系统发育多样性相当于25小时的水下视频。环境 DNA 宏条形码可以经济、有效且准确地用于调查海洋系统中的生物多样性因子。尽管分类学鉴定仍受到遗传参考数据库中物种覆盖范围的限制, 但 MOTUs 的使用显现了在参考数据库得到扩充后环境 DNA 宏条形码所具备的潜力。【翻译:胡怡思;审校:聂永刚】.
Published: 2021

12. Stacking Versatility in Alkali-Mixed Honeycomb Layered NaKNi2TeO6

Author: Gwenaëlle Rousse, François Weill, François Fauth, Montse Casas-Cabanas, Jon Serrano-Sevillano, Marie-Liesse Doublet, Romain Berthelot, Bernard Fraisse, Dany Carlier, Danielle Laurencin, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), CIC ENERGIGUNE - Parque Tecnol Alava, Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB), Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CELLS ALBA, Barcelona 08290, Spain, Advanced Lithium Energy Storage Systems - ALISTORE-ERI (ALISTORE-ERI), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Ikerbasque - Basque Foundation for Science, Chimie du solide et de l'énergie (CSE), Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), The BL04-MSPD staff of CELLS-ALBA synchrotron is acknowledged for granting beamtime through InHouse quota (proposal 2020014011)., Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), and Basque Foundation for Science (Ikerbasque)
Subjects: Diffraction, Chemistry, Sodium, Stacking, Honeycomb (geometry), Oxides, Context (language use), [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, Nuclear magnetic resonance spectroscopy, 010402 general chemistry, 021001 nanoscience & nanotechnology, Alkali metal, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, Chemical physics, Cations, Potassium, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Density functional theory, Physical and Theoretical Chemistry, Layers, 0210 nano-technology, Stacking fault
Abstract: International audience; The reaction between P2-type honeycomb layered oxides Na2Ni2TeO6 and K2Ni2TeO6 enables the formation of NaKNi2TeO6. The compound is characterized by X-ray diffraction and 23Na solid-state nuclear magnetic resonance spectroscopy, and the structure is discussed through density functional theory calculations. In addition to the honeycomb Ni/Te cationic ordering, NaKNi2TeO6 exhibits a unique example of alternation of sodium and potassium layers instead of a random alkali-mixed occupancy. Stacking fault simulations underline the impact of the successive position of the Ni/Te honeycomb layers and validate the presence of multiple stacking sequences within the powder material, in proportions that evolve with the synthesis conditions. In a broader context, this work contributes to a better understanding of the alkali-mixed layered compounds.
Published: 2021

13. On the Stability of Redundancy Models

Author: Elene Anton, Matthieu Jonckheere, Urtzi Ayesta, Ina Maria Verloop, Réseaux, Mobiles, Embarqués, Sans fil, Satellites (IRIT-RMESS), Institut de recherche en informatique de Toulouse (IRIT), Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, Institut National Polytechnique (Toulouse) (Toulouse INP), Ikerbasque - Basque Foundation for Science, University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), Centre National de la Recherche Scientifique (CNRS), Instituto de Cálculo [Buenos Aires], Facultad de Ciencias Exactas y Naturales [Buenos Aires] (FCEyN), and Universidad de Buenos Aires [Buenos Aires] (UBA)-Universidad de Buenos Aires [Buenos Aires] (UBA)
Subjects: Mathematical optimization, Stochastic modelling, Computer science, Probability (math.PR), Stability (learning theory), 020206 networking & telecommunications, 02 engineering and technology, Management Science and Operations Research, Load balancing (computing), 01 natural sciences, Computer Science Applications, [MATH.MATH-PR]Mathematics [math]/Probability [math.PR], 010104 statistics & probability, FOS: Mathematics, 0202 electrical engineering, electronic engineering, information engineering, Redundancy (engineering), 0101 mathematics, Mathematics - Probability
Abstract: We investigate the stability condition of redundancy-$d$ multi-server systems. Each server has its own queue and implements popular scheduling disciplines such as First-Come-First-Serve (FCFS), Processor Sharing (PS), and Random Order of Service (ROS). New jobs arrive according to a Poisson process and copies of each job are sent to $d$ servers chosen uniformly at random. The service times of jobs are assumed to be exponentially distributed. A job departs as soon as one of its copies finishes service. Under the assumption that all $d$ copies are i.i.d., we show that for PS and ROS (for FCFS it is already known) sending redundant copies does not reduce the stability region. Under the assumption that the $d$ copies are identical, we show that (i) ROS does not reduce the stability region, (ii) FCFS reduces the stability region, which can be characterized through an associated saturated system, and (iii) PS severely reduces the stability region, which coincides with the system where all copies have to be \emph{fully} served. The proofs are based on careful characterizations of scaling limits of the underlying stochastic process. Through simulations we obtain interesting insights on the system's performance for non-exponential service time distributions and heterogeneous server speeds., 38 pages, 21 figures
Published: 2021

14. Packing Biomolecules into Sierpiński Triangles with Global Organizational Chirality

Author: Na Li, Jie Li, Hao Tang, Zhen Xu, Chao Li, Ruoning Li, Yajie Zhang, Xue Zhang, Yongfeng Wang, Ziyong Shen, Surfaces, Interfaces et Nano-Objets (CEMES-SINanO), Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), and Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Silver, Pyridines, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Biochemistry, Catalysis, law.invention, Colloid and Surface Chemistry, Fractal, law, Benzene Derivatives, Molecule, Density Functional Theory, Radioisotopes, chemistry.chemical_classification, Biomolecule, Intermolecular force, Tryptophan, Hydrogen Bonding, Stereoisomerism, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Sierpinski triangle, Fractals, Models, Chemical, chemistry, Chemical physics, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], Density functional theory, Adsorption, Scanning tunneling microscope, 0210 nano-technology, Chirality (chemistry)
Abstract: Fractals are found in nature and play important roles in biological functions. However, it is challenging to controllably prepare biomolecule fractals. In this study, a series of Sierpiński triangles with global organizational chirality is successfully constructed by the coassembly of l-tryptophan and 1,3-bi(4-pyridyl)benzene molecules on Ag(111). The chirality is switched when replacing l-tryptophan by d-tryptophan. The fractal structures are characterized by low-temperature scanning tunneling microscopy at the single-molecule level. Density functional theory calculations reveal that intermolecular hydrogen bonds stabilize the Sierpiński triangles.
Published: 2021

15. Raman study of rusty oil spotted glaze produced in Linfen kilns (Shanxi province, AD 1115–1368)

Author: Philippe Sciau, Zhang Pei, Tian Wang, Jianfeng Zhu, Minli Wang, Jun Cao, Fen Wang, Clement Hole, Shi Pei, Shaanxi University of Science and Technology, Matériaux Multi-fonctionnels et Multi-échelles (CEMES-M3), Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), and Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Pseudobrookite, Materials science, [SHS.ARCHEO]Humanities and Social Sciences/Archaeology and Prehistory, Kiln, microstructure, Nucleation, 02 engineering and technology, engineering.material, 010402 general chemistry, 01 natural sciences, hematite, symbols.namesake, General Materials Science, Linfen kilns, Spectroscopy, pseudobrookite, Metallurgy, Glaze, ε-Fe2O3, [CHIM.MATE]Chemical Sciences/Material chemistry, Hematite, 021001 nanoscience & nanotechnology, Microstructure, 0104 chemical sciences, Full width at half maximum, visual_art, visual_art.visual_art_medium, engineering, symbols, 0210 nano-technology, Raman spectroscopy
Abstract: International audience; The Linfen kiln complex, one of the most representative of Shanxi kilns, is famous for its oil spotted glazed ware production. In this work, micro-Raman spectroscopy was applied to analyze the nature of the rusty oil spot pattern of a bowl fragment from Linfen kilns. Crystals of polygonal shape found in the spots at the glaze surface and around bubbles in the cross-section of the glaze were identified as hematite. Their distribution in the glaze suggests that nucleation seeds and small crystals are carried toward the surface by the rise of bubbles during the heating step of the firing. Raman spectra combined with energy-dispersive spectrometry (EDS) measurements also suggest that Fe ions in hematite crystals are partially substituted, causing the variation of band position and full width at half maximum (FWHM) of the spectra. Dendritic ε-Fe2O3 was identified in brown areas of the black glaze, as well as pseudobrookite crystals of tens of microns in the cross-section of the glaze. The degree of the glaze polymerization (A500/A1000) was calculated at 1.85, indicating a firing temperature lower than 1300°C, consistent with the archaeological data.
Published: 2021

16. Electron Transfer Inside a Decaferrocenylated Rotaxane Analyzed by Fast Scan Cyclic Voltammetry and Impedance Spectroscopy

Author: François Huet, Jean-François Nierengarten, Béatrice Delavaux-Nicot, Emmanuel Maisonhaute, Laure Fillaud, Gabriel Boitel-Aullen, Iwona Nierengarten, Laboratoire Interfaces et Systèmes Electrochimiques (LISE), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'innovation moléculaire et applications (LIMA), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de chimie de coordination (LCC), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Sorbonne Université, CNRS, ANR-17-CE07-0012,FastGiant,Mécanismes de transferts d'électrons ultrarapides dans les polyrotaxanes géants(2017), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), and Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Self assembled monolayers, Cyclic voltammetry, Rotaxane, Materials science, Fast-scan cyclic voltammetry, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Redox, Catalysis, Electron transfer, chemistry.chemical_compound, Electrochemistry, [CHIM]Chemical Sciences, Impedance, Self-assembled monolayer, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Dielectric spectroscopy, Ferrocene, chemistry, Physical chemistry, 0210 nano-technology
Abstract: International audience; The electrochemical behavior of a giant rotaxane bearing 10 electroactive ferrocene centers has been analyzed by both fast scan cyclic voltammetry and impedance measurements. The measurements support the hypothesis that all redox centers are not equivalent and display different electron transfer rate constants, which would arise from several possible conformations of the adsorbed molecule. Effectively using such systems in molecular devices thus necessitates to minimize or at least control those dispersions.
Published: 2021

17. Degradation Study of InGaAsN p-i-n Solar Cell Under 1-MeV Electron Irradiation

Author: Inès Massiot, S. Parola, R. Rey, Guilhem Almuneau, Sophie Duzellier, Claude Pons, F. Olivie, T. Nuns, Maxime Levillayer, Alexandre Arnoult, Laurent Artola, Corinne Aicardi, T. Le Cocq, Christophe Inguimbert, R. Monflier, ONERA / DPHY, Université de Toulouse [Toulouse], ONERA-PRES Université de Toulouse, Équipe Photonique (LAAS-PHOTO), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), Centre National d'Études Spatiales [Toulouse] (CNES), Institut d’Electronique et des Systèmes (IES), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Micro électronique, Composants, Systèmes, Efficacité Energétique (M@CSEE), Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), Énergie (NRJ), Matériaux (MAT), Équipe MICrosystèmes d'Analyse (LAAS-MICA), Service Instrumentation Conception Caractérisation (LAAS-I2C), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, and Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)
Subjects: MJSC, PL, Nuclear and High Energy Physics, Materials science, Electron, Nitride, dilute nitrides, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, Gallium arsenide, law.invention, Degradation, chemistry.chemical_compound, EQE, law, 0103 physical sciences, Solar cell, Electron beam processing, Irradiation, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, Electrical and Electronic Engineering, Photocurrent, DLTS, irradiation, 010308 nuclear & particles physics, business.industry, electrons, solar cell, Nuclear Energy and Engineering, chemistry, InGaAsN, [SPI.OPTI]Engineering Sciences [physics]/Optics / Photonic, Optoelectronics, Degradation (geology), business
Abstract: International audience; The degradation of InGaAsN pin subcell under 1 MeV electrons irradiation was studied by characterizing solar cells and dilute nitride bulk layers before and after irradiation. Cells are measured to retain more than 94 % of their original photocurrent after 10 15 cm-2 1 MeV-electrons irradiation. Moreover, no significant degradation of the optoelectronic properties is observed after irradiation.
Published: 2021

18. Stable Au(III) Complexes Bearing Hemilabile P∧N and C∧N Ligands: Coordination of the Pendant Nitrogen upon Oxidation of Gold

Author: Alexis Tabey, Sonia Mallet-Ladeira, Didier Bourissou, György Szalóki, Miquel Navarro, Laboratoire Hétérochimie Fondamentale et Appliquée (LHFA), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)
Subjects: Bearing (mechanical), 010405 organic chemistry, Chemistry, Organic Chemistry, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Nitrogen, 3. Good health, 0104 chemical sciences, law.invention, Inorganic Chemistry, law, Polymer chemistry, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, ComputingMilieux_MISCELLANEOUS
Abstract: International audience
Published: 2021

19. A New Approach for Optimizing a Bipolar Charge Transport Model for Dielectric Materials: Theoretical Framework

Author: Fulbert Baudoin, K. Hallak, Virginie Griseri, Stéphane Segonds, Florian Bugarin, LAboratoire PLasma et Conversion d'Energie (LAPLACE), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Diélectriques Solides et Fiabilité (LAPLACE-DSF), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Institut Clément Ader (ICA), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-IMT École nationale supérieure des Mines d'Albi-Carmaux (IMT Mines Albi), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-Institut Supérieur de l'Aéronautique et de l'Espace (ISAE-SUPAERO), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT), Institut Supérieur de l'Aéronautique et de l'Espace (ISAE-SUPAERO)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-IMT École nationale supérieure des Mines d'Albi-Carmaux (IMT Mines Albi), and Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)
Subjects: 010302 applied physics, Materials science, [PHYS.MPHY]Physics [physics]/Mathematical Physics [math-ph], Charge density, Charge (physics), Sobol sequence, Dielectric, 01 natural sciences, Space charge, Set (abstract data type), [SPI]Engineering Sciences [physics], Low-density polyethylene, 0103 physical sciences, [INFO]Computer Science [cs], [MATH.MATH-OC]Mathematics [math]/Optimization and Control [math.OC], Sensitivity (control systems), [MATH]Mathematics [math], Electrical and Electronic Engineering, Biological system, ComputingMilieux_MISCELLANEOUS
Abstract: A bipolar charge transport model with two levels of traps (shallow and deep traps) is employed to describe and investigate the dynamic behavior of the space charge in low-density polyethylene (LDPE). This kind of model requires some initial experimental conditions alongside a set of parameters. An optimization method is used in order to provide the best precision for model parameters. Furthermore, the sensitivity of these parameters has been analyzed using an approach based on Sobol's method. In essence, this paper proposes a specific protocol that contributes to producing a global set of parameters able to provide the best approximate fit between experimental and simulated results. Net charge density is measured by the pulse electro-acoustic method (PEA) along with what is known as external charging current measurements. The simulated data are obtained by a bipolar charge transport model, which is developed for low-sensity polyethylene.
Published: 2021

20. NMR studies of adsorption and diffusion in porous carbonaceous materials

Author: Clare P. Grey, Céline Merlet, John M. Griffin, Alexander C. Forse, Department of Chemistry [Cambridge, UK], University of Cambridge [UK] (CAM), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Department of Chemistry [Lancaster], Lancaster University, Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), University of Cambridge (UNITED KINGDOM), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Réseau de stockage électrochimique de l’énergie - Energie RS2E (FRANCE), Lancaster University (UNITED KINGDOM), Centre Interuniversitaire de Recherche et d'Ingénierie des Matériaux - CIRIMAT (Toulouse, France), and Apollo - University of Cambridge Repository
Subjects: Nuclear and High Energy Physics, Materials science, Matériaux, Diffusion, FOS: Physical sciences, chemistry.chemical_element, Nucleus-independent chemical shift, 010402 general chemistry, 01 natural sciences, Biochemistry, 030218 nuclear medicine & medical imaging, Analytical Chemistry, Ion, 03 medical and health sciences, 0302 clinical medicine, Adsorption, Shielding effect, Molecule, Porosity, Spectroscopy, Condensed Matter - Materials Science, Porous carbons, Materials Science (cond-mat.mtrl-sci), [CHIM.MATE]Chemical Sciences/Material chemistry, Nuclear magnetic resonance spectroscopy, Ring current shielding, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry, 13. Climate action, Chemical physics, Carbon
Abstract: Porous carbonaceous materials have many important industrial applications including energy storage, water purification, and adsorption of volatile organic compounds. Most of their applications rely upon the adsorption of molecules or ions within the interior pore volume of the carbon particles. Understanding the behaviour and properties of adsorbate species on the molecular level is therefore key for optimising porous carbon materials, but this is very challenging owing to the complexity of the disordered carbon structure and the presence of multiple phases in the system. In recent years, NMR spectroscopy has emerged as one of the few experimental techniques that can resolve adsorbed species from those outside the pore network. Adsorbed, or "in-pore" species give rise to resonances that appear at lower chemical shifts compared to their free (or "ex-pore") counterparts. This shielding effect arises primarily due to ring currents in the carbon structure in the presence of a magnetic field, such that the observed chemical shift differences upon adsorption are nucleus-independent to a first approximation. Theoretical modelling has played an important role in rationalising and explaining these experimental observations. Together, experiments and simulations have enabled a large amount of information to be gained on the adsorption and diffusion of adsorbed species, as well as on the structural and magnetic properties of the porous carbon adsorbent. Here, we review the methodological developments and applications of NMR spectroscopy and related modelling in this field, and provide perspectives on possible future applications and research directions.
Published: 2021

21. Conductance of a single molecule C60-SnPc heterojunction

Author: Mingjun Zhong, Jie Li, Yongfeng Wang, Richard Berndt, Hao Tang, Yajie Zhang, Yifan Wang, Shimin Hou, Surfaces, Interfaces et Nano-Objets (CEMES-SINanO), Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Peking University [Beijing], Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Christian-Albrechts-Universität zu Kiel (CAU), Beijing Academy of Quantum Information Sciences, and South China University of Technology [Guangzhou] (SCUT)
Subjects: Thermal contact conductance, Materials science, Fullerene, chemistry.chemical_element, Conductance, Heterojunction, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, law.invention, chemistry.chemical_compound, chemistry, Chemical physics, law, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], Phthalocyanine, Molecule, Scanning tunneling microscope, 0210 nano-technology, Tin
Abstract: Geometries of molecule-molecule interfaces strongly influence the current passing from one molecule to another. The contact conductance of molecule-molecule junctions which consist of fullerene and tin phthalocyanine molecules is investigated with a low-temperature scanning tunneling microscope. Two types of molecules are deposited onto Cu(111). Fullerene molecules are transferred to tips through controlled contact of STM tips on molecules. The molecule-molecule junctions are formed by approaching fullerene-terminated tips to tin phthalocyanine molecules on Cu(111). Our experimental method can be extended to study the intermolecular charge transport of a range of molecular junctions.
Published: 2022

22. The closure issue related to liquid–cell mass transfer and substrate uptake dynamics in biological systems

Author: Jérôme Morchain, Vincent Quedeville, Rodney O. Fox, Philippe Villedieu, Toulouse Biotechnology Institute (TBI), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Fédération de Recherche Fluides, Energie, Réacteurs, Matériaux et Transferts (FERMAT), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Iowa State University (ISU), ONERA / DMPE, Université de Toulouse [Toulouse], ONERA-PRES Université de Toulouse, ANR-11-IDEX-0002,UNITI,Université Fédérale de Toulouse(2011), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université de Toulouse (UT)
Subjects: 0106 biological sciences, [SDV.BIO]Life Sciences [q-bio]/Biotechnology, Bioengineering, Models, Biological, 01 natural sciences, Applied Microbiology and Biotechnology, Algebraic closure, Quantitative Biology::Cell Behavior, bioreactor, 03 medical and health sciences, Bioreactors, Chain (algebraic topology), 010608 biotechnology, Mass transfer, mass transfer, Computer Simulation, 030304 developmental biology, 0303 health sciences, Chemistry, Dynamics (mechanics), modeling, regulation, Substrate (marine biology), Closure (computer programming), Coupling (computer programming), uptake, Ordinary differential equation, Biological system, Biotechnology
Abstract: International audience; An original dynamic model for substrate uptake under transient conditions is established and used to simulate a variety of biological responses to external perturbations. The actual uptake and growth rates, treated as cell properties, are part of the model variables as well as the substrate concentration at the cell-liquid interface. Several regulatory loops inspired by the structure of the glycolytic chain are considered to establish a set of ordinary differential equations. The uptake rate evolves so as to reach an equilibrium between the cell demand and the environmental supply. This model does not contain any of the usual algebraic closure laws relating to the instantaneous uptake, growth rates, and the substrate concentration, nor does it enforce the continuity of mass fluxes at the liquid-cell interface. However, these relationships are found in the steady-state solution. Previously unexplained experimental observations are well reproduced by this model. Also, the model structure is suitable for further coupling with flux-based metabolic models and fluid-flow equations.
Published: 2021

23. Isolation of a [Fe(CO)4]2–-Bridged Diuranium Complex Obtained via Reduction of Fe(CO)5 with Uranium(III)

Author: Robert J. Ward, Justin R. Walensky, Ambre Carpentier, Karsten Meyer, Steven P. Kelley, Daniel Pividori, Michael L. Tarlton, Laurent Maron, University of Missouri [Columbia] (Mizzou), University of Missouri System, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU), Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Department of Energy, Office of Basic Energy Sciences, Heavy Element Program [DE-SC-0021273], Friedrich-Alexander-Universitat Erlangen-Nurnberg (FAU), Bundesministerium fur Bildung und Forschung (f-Char, BMBF) [02NUK059E], Alexander-von-Humboldt Foundation, Chinese Academy of Science, and HPCs CALcul en Midi-Pyrenees (CALMIP-EOS grant) [1415]
Subjects: 010405 organic chemistry, Organic Chemistry, chemistry.chemical_element, Uranium, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, Reduction (complexity), chemistry, Moiety, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry
Abstract: International audience; Treatment of the U(III) complex, [(C5Me5)(2)U(OMes)(THF)], Mes = 2,4,6-Me3C6H2, with Fe(CO)(5) forms [{(C5Me5)(2)(MesO)U}(2)(mu(2)-(OC)(2)Fe(CO)(2))] with the bridging, tetrahedral Fe(CO)(4) moiety. This complex has been studied using H-1 NMR, IR vibrational, UV-vis electronic absorption, and zero-field Fe-57 Mossbauer spectroscopy as well as single-crystal X-ray diffraction analysis, magnetic measurements, and DFT calculations.
Published: 2021

24. Asymmetric micro-supercapacitors based on electrodeposited Ruo2 and sputtered VN films

Author: Christophe Lethien, Thierry Brousse, Kevin Robert, Bouchra Asbani, Pascal Roussel, Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), Circuits Systèmes Applications des Micro-ondes - IEMN (CSAM - IEMN ), Université catholique de Lille (UCL)-Université catholique de Lille (UCL)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Institut des Matériaux Jean Rouxel (IMN), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Ecole Polytechnique de l'Université de Nantes (EPUN), Université de Nantes (UN)-Université de Nantes (UN)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), This research benefitted from the financial support of the ANR within the DENSSCAPIO project (ANR-17-CE05–0015–02). The authors would also like to thank the ANR STORE-EX and the RS2E for their financial support. The RENATECH network receives our utmost gratitude. Chevreul Institute (CNRS FR 2638), Ministère de l’Enseignement Supérieur et de la Recherche, Région Hauts de France and FEDER are acknowledged for supporting and funding XRD facilities., RS2E, Renatech Network, CMNF, ANR-17-CE05-0015,DENSSCAPIO,Supercondensateurs nanostructurés tout-solides pour stockage d'énergie plus dense et plus sûr(2017), ANR-10-LABX-0076,STORE-EX,Laboratory of excellency for electrochemical energy storage(2010), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Centrale Lille Institut (CLIL)-Université d'Artois (UA)-Centrale Lille-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Lille, Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Polytechnique de l'Université de Nantes (EPUN), Université de Nantes (UN)-Université de Nantes (UN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), CNRS, Centrale Lille, ENSCL, ISEN, Institut Catholique Lille, Univ. Artois, Univ. Valenciennes, Université de Lille, Institut d'Électronique, de Microélectronique et de Nanotechnologie (IEMN) - UMR 8520, and Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Subjects: Materials science, Vanadium nitride, Energy Engineering and Power Technology, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, 7. Clean energy, Capacitance, Ruthenium oxide, vanadium nitride, chemistry.chemical_compound, asymmetric micro-supercapacitors, Sputtering, General Materials Science, Thin film, Electrochemical potential, Power density, Supercapacitor, Renewable Energy, Sustainability and the Environment, business.industry, [SPI.NRJ]Engineering Sciences [physics]/Electric power, hydrous ruthenium oxide, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, thin films, chemistry, electrodeposition, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Optoelectronics, sputtering, 0210 nano-technology, business
Abstract: International audience; Research on micro-supercapacitors remains one of the most important activities in the area of electrochemical energy storage for powering smart and miniaturized electronic devices. Here we design an asymmetric micro-supercapacitor (A-MSC) combining sputtered vanadium nitride film (VN) and electrodeposited hydrous ruthenium oxide (hRuO2) film. Taking advantage of their complementary electrochemical potential windows in 1 M KOH electrolyte, the A-MSC achieves a cell voltage up to 1.15 V, associated to high specific capacitance values for the device (≈ 100 mF cm−2). The energy density of this asymmetric VN / hRuO2 micro-supercapacitor reaches 20 µWh cm−2 at a power density of 3 mW cm−2. Taking benefit from the asymmetric configuration, a 5-fold enhancement factor in energy density is demonstrated for the VN / hRuO2 asymmetric micro-supercapacitor as compared to symmetric VN / VN and hRuO2 / hRuO2 microdevices.
Published: 2021

25. New Trends in the Design of Metal Nanoparticles and Derived Nanomaterials for Catalysis

Author: Karine Philippot, Alain Roucoux, Laboratoire de chimie de coordination (LCC), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Karine Philippot, Alain Roucoux, Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)
Subjects: Green chemistry, Materials science, Metal-based nanoparticles, Biomass, Nanotechnology, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Nanomaterials, Catalysis, Nanocellulose, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Sustainable chemistry, Magnetic silica supports, Water polyols and ionic liquids, Metal nanoparticles, Water-splitting, Metal–organic frameworks, Nanocatalysis, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Water splitting, Transition and earth-abundant metals, Metal-organic framework, 0210 nano-technology, Theoretical modeling
Abstract: International audience; The purpose of this first chapter is to introduce the content of the book “Nanoparticles & Catalysis: Advances in Synthesis and Applications.” As suggested by the title, this book is fully dedicated to the new trends in research addressing the engineering of metal nanoparticles for their application in the field of catalysis. After general information on the position, interests, and perspectives of this overgrowing domain, that is nanocatalysis, a short overview of the 15 chapters gathered is provided. The so-assembled data cover different domains of nanocatalysis both in terms of the nature of the nanocatalysts developed (metal nanoparticles or derived composite materials) and the variety of catalyses and reaction media studied. The reported applications deal with either nanocatalysis in solution conditions or in the supported ones. The readers from academic or industrial communities will find in this book a basic knowledge on the recent advances in the design of well-defined and efficient nanocatalysts by taking advantage of diverse synthesis methods and materials. This collection of chapters well illustrates the research efforts presently done in order to not only reach higher and original performances but also a better understanding of the key parameters for nanocatalysis.
Published: 2021

26. Heterometallic Clusters with Multiple Rare Earth Metal–Transition Metal Bonding

Author: Penglong Wang, Yue Zhao, Kaiying Shi, Iskander Douair, Genfeng Feng, Congqing Zhu, Laurent Maron, Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Nanjing Normal Univ, Key Lab Virtual Geog Environm, Minist Educ, Nanjing 210023, Peoples R China, National Natural Science Foundation of China [21772088, 91961116], Natural Science Foundation of Jiangsu Province [BK20200302], Fundamental Research Funds for the Central Universities [14380216], and Programs for high-level entrepreneurial and innovative talents introduction of Jiangsu Province (group program)
Subjects: Magnetism, Chemistry, Molecular cluster, Rare earth, General Chemistry, 010402 general chemistry, 01 natural sciences, Biochemistry, Catalysis, 0104 chemical sciences, Metal, Crystallography, Colloid and Surface Chemistry, Transition metal, X-ray photoelectron spectroscopy, Oxidation state, visual_art, visual_art.visual_art_medium, Molecule, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Abstract: International audience; Although a series of complexes with rare earth (RE) metal-metal bonds have been reported, complexes which have multiple RE-Rh bonds are unknown. Here we present the identification of the first example of a molecule containing multiple RE-Rh bonds. The complex with multiple Ce-Rh bonds was synthesized by the reduction of a d-f heterometallic molecular cluster Ce{N[((CH2CH2NPPr2)-Pr-i)RhCl(COD)](3)} with excess potassium-graphite. The oxidation state of Ce in 3a appears to be a mixture of Ce(III) and Ce(IV), which was confirmed by X-ray photoelectron spectroscopy, magnetism, and theoretical investigations (DFT and CASSCF). For comparison, the analogous species with multiple La(III)-Rh and Nd(III)-Rh bonds were also constructed. This study provides a possible route for the construction of complexes with multiple RE metal-metal bonds and an investigation of their potential properties and applications.
Published: 2021

27. C–N and C–H Activation of an N-Heterocyclic Carbene by Magnesium(II) Hydride and Magnesium(I) Complexes

Author: Cameron Jones, Laurent Maron, Ambre Carpentier, K. Yuvaraj, Cory D. Smith, School of Chemistry, Monash University [Clayton], Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), and Australian Research Council
Subjects: Steric effects, 010405 organic chemistry, Hydride, Magnesium, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Adduct, Inorganic Chemistry, IMes, chemistry.chemical_compound, chemistry, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Isostructural, Carbene, Mesitylene
Abstract: International audience; Reactions of the hindered N-heterocyclic carbene, :C{(MesNCH)(2)} (IMes; Mes = mesityl), with a series of beta-diketiminatomagnesium(II) hydride and dimagnesium(I) complexes were carried out at 80 degrees C. The reactions involving the magnesium hydrides, [{((Ar)Nacnac)Mg(mu-H)}(2)] [(Ar)Nacnac = [(ArNCMe)(2)CH](-), where Ar = 2,6-diethylphenyl (Dep) or 2,6-diisopropylphenyl (Dip)], proceeded via activation of an exocyclic C-N bond of IMes, giving magnesium imidazolyl compounds [((Ar)Nacnac)Mg(mu-H)(mu-Imid)Mg((Ar)Nacnac)] (Imid = [NC2H2N-(Mes)C](-)) and mesitylene. A low-yield IMes methyl C-H activation product, [((Dep)Nacnac)Mg(IMes(-H))], was also obtained, via H-2 elimination, from the reaction between IMes and [{((Dep)Nacnac)Mg(mu-H)}(2)]. Reactions between IMes and dimagnesium(I) compounds [{((Ar)Nacnac)Mg}(2)] [Ar = 2,6-dimethylphenyl (Xyl) or Mes] afforded isostructural C-H activation products [((Ar)Nacnac)Mg(IMes(-H))] but in higher yields. Density functional theory calculations suggest that the reactions do not progress via stable adduct complex intermediates, which are sterically inaccessible.
Published: 2021

28. Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos ligand†

Author: Jéssica Rodríguez, Alexis Tabey, Sonia Mallet-Ladeira, Didier Bourissou, Laboratoire Hétérochimie Fondamentale et Appliquée (LHFA), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Plateforme de l'Institut de chimie de Toulouse, Université de Toulouse (UT), ANR-19-CE07-0037,Gold-III,Chimie de l'or(III)(2019), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD), Institut de Chimie de Toulouse (ICT-FR 2599), and Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)
Subjects: Steric effects, 010405 organic chemistry, Ligand, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Aryl, organic chemicals, technology, industry, and agriculture, Substrate (chemistry), General Chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, macromolecular substances, 010402 general chemistry, 01 natural sciences, Combinatorial chemistry, Oxidative addition, 0104 chemical sciences, 3. Good health, Catalysis, chemistry.chemical_compound, Chemistry, chemistry, Yield (chemistry), Chemoselectivity
Abstract: The hemilabile Ad2P(o-C6H4)NMe2 ligand promotes fast, quantitative and irreversible oxidative addition of alkynyl and vinyl iodides to gold. The reaction is general. It works with a broad range of substrates of various electronic bias and steric demand, and proceeds with complete retention of stereochemistry from Z and E vinyl iodides. Both alkynyl and vinyl iodides react faster than aryl iodides. The elementary step is amenable to catalysis. Oxidative addition of vinyl iodides to gold and π-activation of alkenols (and N-alkenyl amines) at gold have been combined to achieve hetero-vinylation reactions. A number of functionalized heterocycles, i.e. tetrahydrofuranes, tetrahydropyranes, oxepanes and pyrrolidines were obtained thereby (24 examples, 87% average yield). Taking advantage of the chemoselectivity for vinyl iodides over aryl iodides, sequential transformations involving first a hetero-vinylation step and then a C–N coupling, a C–C coupling or an heteroarylation were achieved from a vinyl/aryl bis-iodide substrate., The hemilabile Ad2P(o-C6H4)NMe2 ligand promotes fast, quantitative and irreversible oxidative addition of alkynyl and vinyl iodides to gold.
Published: 2021

29. Elucidation of the Diels–Alder Reaction Kinetics between Diphenylfulvene and Maleimide by Mechanochemistry and in Solution

Author: Christiane André-Barrès, Michel Baron, Alain Chamayou, Lori Gonnet, Michel Baltas, Brigitte Guidetti, Tohru Sato, Rachel Calvet, Jean-Claude Micheau, Centre de recherche d'Albi en génie des procédés des solides divisés, de l'énergie et de l'environnement (RAPSODEE), IMT École nationale supérieure des Mines d'Albi-Carmaux (IMT Mines Albi), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-Centre National de la Recherche Scientifique (CNRS), Synthèse et Physico-Chimie de Molécules d'Intérêt Biologique (SPCMIB), Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Interactions moléculaires et réactivité chimique et photochimique (IMRCP), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD), Kyoto University [Kyoto], Centre National de la Recherche Scientifique (CNRS)-IMT École nationale supérieure des Mines d'Albi-Carmaux (IMT Mines Albi), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Université de Toulouse (UT)-Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Fédération de Recherche Fluides, Energie, Réacteurs, Matériaux et Transferts (FERMAT), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), IDeAS - Interfaces Dynamiques et Assemblages Stimulables (IDeAS), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT), Kyoto University, CNRS, University Paul Sabatier, IMT Mines Albi, and JSPS
Subjects: General Chemical Engineering, Kinetics, 02 engineering and technology, Activation energy, 010402 general chemistry, 01 natural sciences, Chemical kinetics, Diels−Alder, chemistry.chemical_compound, Computational chemistry, Mechanochemistry, Mechanisms, Environmental Chemistry, Maleimide, Diels–Alder reaction, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Renewable Energy, Sustainability and the Environment, Chemistry, General Chemistry, 021001 nanoscience & nanotechnology, Ball-milling, 0104 chemical sciences, Solvent, Reagent, 0210 nano-technology
Abstract: International audience; The Diels–Alder reaction kinetics between diphenylfulvene and maleimide using mechanochemistry and in liquid state is described. This reaction was carried out in solid state using a modified vibratory ball-mill with temperature control and in solution with toluene as solvent. The effect of temperature, ball mass, material, additives, and aging reaction were studied. We reported for the first time the kinetics of a mechanochemical reaction depending on the ratio ball mass/mass of the reagent. A new kinetic model has been established that corresponds well to our experimental data and allows an estimation of the global activation energy. In solution, the retro Diels–Alder reaction was observed. The reaction was second order for the formation of endo and exo and first order for the retro Diels–Alder reaction. The grinding method shows many advantages compared to solution: shorter reaction time, total reaction, and better selectivity.
Published: 2021

30. Insights into Rare-Earth Metal Complex-Mediated Hydroamination

Author: Kening Qiao, Jian Fang, Laurent Maron, Shuqi Dong, Yan Yang, Bo Liu, Jinjin Chen, Shanghai Institute of Materia Medica - Chinese Academy of Sciences [Shanghai], College of Civil Engineering and Mechanics, Xiangtan Univ., Xiangtan, Hunan 411105, China, Lanzhou Univ, Coll Civil Engn & Mech, Lanzhou, Peoples R China, Lanzhou University, Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), University of Science and Technology of China [Hefei] (USTC), and NSF China [51673184]
Subjects: 010405 organic chemistry, Chemistry, Rare earth, Rational design, rare-earth metal complexes, stepwise s-insertive mechanism, DFT calculation, General Chemistry, 010402 general chemistry, 01 natural sciences, Combinatorial chemistry, Catalysis, 0104 chemical sciences, hydroamination, Metal, kinetic study, visual_art, visual_art.visual_art_medium, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Hydroamination, Mechanism (sociology)
Abstract: International audience; Since the precise understanding of the underlying mechanism is important for the rational design of catalysts, much attention has been paid for hydroamination reactions catalyzed by organolanthanides during the past three decades. Distinct mechanisms were proposed on the basis of some key experimental features. It is a challenge to distinguish these mechanisms. The present study focuses on this controversial topic by synthesizing an almost entire range of rare-earth metal bisalkyl complexes (Py-CH2-Flu)Ln(CH2SiMe3)(2)(THF)(x) (Ln = Sc (1), Lu (2), Tm (3), Er (4), Ho (5), Y (6), Dy (7), Tb (8), Gd (9), and Pr (10)) stablized by a pyridine methylene fluorenyl ligand to catalyze intramolecular hydroamination (IAHA) of prototypical 1-amino-2,2-diphenyl-4-pentene and intermolecular hydroamination (IEHA) of styrene and pyrrolidine. Among them, thulium-, terbium-, and gadolinium-based catalysts were investigated for the first time. As observed for all the reported catalytic systems, the rate of IAHA increased almost linearly with increasing metal ion radius, whereas the reactivity pattern in IEHA with respect to the ionic radius size follows the opposite trend. Kinetic studies were carried out to obtain the empirical rate law v = k[Ln](1.0)[S](0.0) for IAHA and v = k[Ln](1.0)[St](1.0)[pyrrolidine](0.0) for IEHA. The zero-order dependence on amine was attributed to the population ratio between the rare-earth metal amido adduct and its precursor being larger than 10(4). Density functional theory studies on scandium, yttrium, and praseodymium complex-mediated IAHA and IEHA were investigated using a stepwise sigma-insertive mechanism and a concerted noninsertive mechanism, respectively. The results suggested the prevailing mechanism to be a stepwise sigma-insertive pathway that involves the insertion of C=C into the Ln-N bond and protonolysis of the Ln-C bond. The protonolysis reaction is the turnover-limiting step. The reason behind the influence of the metal ion radius on the catalytic activity was elucidated.
Published: 2021

31. Positivity certificates and polynomial optimization on non-compact semialgebraic sets

Author: Victor Magron, Ngoc Hoang Anh Mai, Jean B. Lasserre, Équipe Méthodes et Algorithmes en Commande (LAAS-MAC), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), Laboratoire d'informatique de l'École polytechnique [Palaiseau] (LIX), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), European Project: 666981,H2020,ERC-2014-ADG,TAMING(2015), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, and Centre National de la Recherche Scientifique (CNRS)-École polytechnique (X)
Subjects: Discrete mathematics, 021103 operations research, Optimization problem, Degree (graph theory), Hierarchy (mathematics), General Mathematics, Numerical analysis, 0211 other engineering and technologies, Value (computer science), 010103 numerical & computational mathematics, 02 engineering and technology, 01 natural sciences, Optimization and Control (math.OC), Convergence (routing), FOS: Mathematics, Strong duality, Polynomial optimization, [MATH.MATH-OC]Mathematics [math]/Optimization and Control [math.OC], [MATH]Mathematics [math], 0101 mathematics, Mathematics - Optimization and Control, Software, Mathematics
Abstract: In a first contribution, we revisit two certificates of positivity on (possibly non-compact) basic semialgebraic sets due to Putinar and Vasilescu [Comptes Rendus de l'Acad\'emie des Sciences-Series I-Mathematics, 328(6) (1999) pp. 495-499]. We use Jacobi's technique from [Mathematische Zeitschrift, 237(2) (2001) pp. 259-273] to provide an alternative proof with an effective degree bound on the sums of squares multipliers in such certificates. As a consequence, it allows one to define a hierarchy of semidefinite relaxations for a general polynomial optimization problem. Convergence of this hierarchy to a neighborhood of the optimal value as well as strong duality and analysis are guaranteed. In a second contribution, we introduce a new numerical method for solving systems of polynomial inequalities and equalities with possibly uncountably many solutions. As a bonus, one may apply this method to obtain approximate global optimizers in polynomial optimization., Comment: 33 pages, 2 figures, 5 tables
Published: 2021

32. Computational Insights into Different Mechanisms for Ag‐, Cu‐, and Pd‐Catalyzed Cyclopropanation of Alkenes and Sulfonyl Hydrazones

Author: Laurent Maron, Yong Wu, Iskander Douair, Shanshan Cao, Xihe Bi, Northeast Normal University, Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), NSFC [21871043, 21961130376], Department of Science and Technology of Jilin Province [20180101185JC, 20190701012GH], and Fundamental Research Funds for the Central Universities [2412020FZ006]
Subjects: Sulfonyl, chemistry.chemical_classification, 010405 organic chemistry, Cyclopropanation, Alkene, Organic Chemistry, General Chemistry, 010402 general chemistry, 01 natural sciences, Combinatorial chemistry, Catalysis, Cycloaddition, 0104 chemical sciences, Cyclopropane, carbenes, reaction mechanisms, chemistry.chemical_compound, chemistry, density functional calculations, hindered alkenes, silver, Diazo, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Carbene
Abstract: International audience; The [2+1] cycloaddition reaction of a metal carbene with an alkene can produce important cyclopropane products for synthetic intermediates, materials, and pharmaceutical applications. However, this reaction is often accompanied by side reactions, such as coupling and self-coupling, so that the yield of the cyclopropanation product of non-silver transition-metal carbenes and hindered alkenes is generally lower than 50 %. To solve this problem, the addition of a low concentration of diazo compound (decomposition of sulfonyl hydrazones) to alkenes catalyzed by either CuOAc or PdCl2 was studied, but side reactions could still not be avoided. Interestingly, however, the yield of cyclopropanation products for such hindered alkenes were as high as 99 % with AgOTf as a catalyst. To explain this unexpected phenomenon, reaction pathways have been computed for four different catalysts by using DFT. By combining the results of these calculations with those obtained experimentally, it can be concluded that the efficiency of the silver catalyst is due to the barrierless concerted cycloaddition step and the kinetic inhibition of side reactions by a high concentration of alkene.
Published: 2021

33. Detection of the elusive Dwarf sperm whale ( Kogia sima ) using environmental DNA at Malpelo island (Eastern Pacific, Colombia)

Author: Tom B. Letessier, Sandra Bessudo, Jean-Baptiste Juhel, Loïc Pellissier, Camille Albouy, Eilísh Richards, Giomar Helena Borrero-Pérez, Tony Dejean, Felipe Ladino, Andrea Polanco Fernández, Florine Hadjadj, Régis Hocdé, David Mouillot, Nicolas Loiseau, Maria Mutis Martinezguerra, Stéphanie Manel, Alice Valentini, Laure Velez, Virginie Marques, MARine Biodiversity Exploitation and Conservation (UMR MARBEC), Institut de Recherche pour le Développement (IRD)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), SPYGEN [Le Bourget-du-Lac], Centre d’Ecologie Fonctionnelle et Evolutive (CEFE), Université Paul-Valéry - Montpellier 3 (UPVM)-École Pratique des Hautes Études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut Agro - Montpellier SupAgro, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Toxicologie Intégrative & Métabolisme (ToxAlim-TIM), ToxAlim (ToxAlim), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Ecole Nationale Vétérinaire de Toulouse (ENVT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER), Institut Fédéral de Recherches sur la Forêt, la Neige et le Paysage (WSL), Institut Fédéral de Recherches [Suisse], Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Institut de Recherche pour le Développement (IRD), Université Paul-Valéry - Montpellier 3 (UPVM)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Vétérinaire de Toulouse (ENVT), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and Institut Français de Recherche pour l'Exploitation de la Mer - Atlantique (IFREMER Atlantique)
Subjects: 0106 biological sciences, Kogia, Range (biology), [SDE.MCG]Environmental Sciences/Global Changes, ved/biology.organism_classification_rank.species, Zoology, Breviceps, 010603 evolutionary biology, 01 natural sciences, mobile species, Nature Notes, 03 medical and health sciences, megafauna, lcsh:QH540-549.5, IUCN Red List, Environmental DNA, 14. Life underwater, Dwarf sperm whale, Ecology, Evolution, Behavior and Systematics, 030304 developmental biology, Nature and Landscape Conservation, Data deficient, 0303 health sciences, Ecology, biology, ved/biology, fungi, pelagic, biology.organism_classification, eDNA, Megafauna, Mobile species, Pelagic, Conservation status, lcsh:Ecology, [SDE.BE]Environmental Sciences/Biodiversity and Ecology
Abstract: Monitoring large marine mammals is challenging due to their low abundances in general, an ability to move over large distances and wide geographical range sizes.The distribution of the pygmy (Kogia breviceps) and dwarf (Kogia sima) sperm whales is informed by relatively rare sightings, which does not permit accurate estimates of their distribution ranges. Hence, their conservation status has long remained Data Deficient (DD) in the Red list of the International Union for Conservation of Nature (IUCN), which prevent appropriate conservation measures.Environmental DNA (eDNA) metabarcoding uses DNA traces left by organisms in their environments to detect the presence of targeted taxon, and is here proved to be useful to increase our knowledge on the distribution of rare but emblematic megafauna.Retrieving eDNA from filtered surface water provides the first detection of the Dwarf sperm whale (Kogia sima) around the remote Malpelo island (Colombia).Environmental DNA collected during oceanic missions can generate better knowledge on rare but emblematic animals even in regions that are generally well sampled for other taxa., Retrieving eDNA from filtered surface water provides the first detection of the Dwarf sperm whale (Kogia sima) around the remote Malpelo island (Colombia).
Published: 2021

34. Cyclic Poly(α-peptoid)s by Lithium bis(trimethylsilyl)amide (LiHMDS)-Mediated Ring-Expansion Polymerization: Simple Access to Bioactive Backbones

Author: Pierre Verhaeghe, Sébastien Lecommandoux, Antoine Tronnet, Marc Since, Jean-Luc Stigliani, Pedro Salas-Ambrosio, Sandra Bourgeade-Delmas, Bruno Dupuy, Amelie Vax, Colin Bonduelle, Team 3 LCPO : Polymer Self-Assembly & Life Sciences, 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)-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), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Pathogénèse des Bactéries Anaérobies / Pathogenesis of Bacterial Anaerobes (PBA (U-Pasteur_6)), Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), Centre d'Etudes et de Recherche sur le Médicament de Normandie (CERMN), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU), Pharmacochimie et Biologie pour le Développement (PHARMA-DEV), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut de Recherche pour le Développement (IRD), and Université Fédérale Toulouse Midi-Pyrénées
Subjects: Trimethylsilyl Compounds, Cell Survival, Polymers, Lithium bis(trimethylsilyl)amide, Microbial Sensitivity Tests, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, 010402 general chemistry, Ring (chemistry), 01 natural sciences, Biochemistry, Catalysis, Cell Line, Polymerization, Macrocyclic polypeptoids, Peptoids, chemistry.chemical_compound, Colloid and Surface Chemistry, Biological property, Humans, Density Functional Theory, Ring expansion polymerization (REP), chemistry.chemical_classification, Clostridioides difficile, Peptoid, General Chemistry, Polymer, Combinatorial chemistry, 0104 chemical sciences, [CHIM.POLY]Chemical Sciences/Polymers, Monomer, chemistry, Cyclization
Abstract: International audience; Cyclic polymers display unique physicochemical and biological properties. However, their development is often limited by their challenging preparation. In this work, we present a simple route to cyclic poly(α-peptoids) from N-alkylated-N-carboxyanhydrides (NNCA) using LiHMDS promoted ring-expansion polymerization (REP) in DMF. This new method allows the unprecedented use of lysine-like monomers in REP to design bioactive macrocycles bearing pharmaceutical potential against Clostridioides difficile, a bacterium responsible for nosocomial infections.
Published: 2021

35. On-surface preparation of coordinated lanthanide-transition-metal clusters

Author: Song Gao, Mingjun Zhong, Tianhao Wu, Bing-Wu Wang, Jie Li, Jing Liu, Shimin Hou, Zhen Xu, Ziyong Shen, Rong Sun, Qiang Xue, Ruoning Li, Yongfeng Wang, Hao Tang, Xiong Zhou, Key Laboratory for the Physics and Chemistry of Nanodevices and Center for Carbon-based Electronics, Department of Electronics, Peking University, Beijing Academy of Quantum Information Sciences, Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing, Surfaces, Interfaces et Nano-Objets (CEMES-SINanO), Centre d'élaboration de matériaux et d'études structurales (CEMES), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), South China University of Technology [Guangzhou] (SCUT), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)
Subjects: Lanthanide, Materials science, Nitrile, Science, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Article, General Biochemistry, Genetics and Molecular Biology, law.invention, chemistry.chemical_compound, Transition metal, law, Pyridine, Cluster (physics), Multidisciplinary, General Chemistry, 021001 nanoscience & nanotechnology, Coordination chemistry, 0104 chemical sciences, Crystallography, Cerium, Scanning probe microscopy, chemistry, [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other], Density functional theory, Scanning tunneling microscope, 0210 nano-technology
Abstract: The study of lanthanide (Ln)-transition-metal (TM) heterometallic clusters which play key roles in various high-tech applications is a rapid growing field of research. Despite the achievement of numerous Ln-TM cluster compounds comprising one Ln atom, the synthesis of Ln-TM clusters containing multiple Ln atoms remains challenging. Here, we present the preparation and self-assembly of a series of Au-bridged heterometallic clusters containing multiple cerium (Ce) atoms via on-surface coordination. By employing different pyridine and nitrile ligands, the ordered coordination assemblies of clusters containing 2, 3 and 4 Ce atoms bridged by Au adatoms are achieved on Au(111) and Au(100), as revealed by scanning tunneling microscopy. Density functional theory calculations uncover the indispensable role of the bridging Au adatoms in constructing the multi-Ce-containing clusters by connecting the Ce atoms via unsupported Ce-Au bonds. These findings demonstrate on-surface coordination as an efficient strategy for preparation and organization of the multi-Ln-containing heterometallic clusters., The preparation of lanthanide-transition metal clusters containing multiple lanthanide atoms remains challenging. Here, the authors present the controlled on-surface formation of ligand-stabilized heterometallic Ce/Au clusters containing two, three and four Ce atoms bridged by Au adatoms.
Published: 2021

36. Validation of Fiber Optic-Based Fabry–Perot Interferometer for Simultaneous Heart Rate and Pulse Pressure Measurements

Author: Han Cheng Seat, Saroj Pullteap, Piyawat Samartkit, Silpakorn University, Ecole Nationale Supérieure d'Electrotechnique, d'Electronique, d'Informatique, d'Hydraulique et de Télécommunications (ENSEEIHT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Equipe Capteurs optiques et systèmes intégrés intelligents (LAAS-OASIS), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, Silpakorn University [Bangkok, Thaïlande], Université de Toulouse (UT)-Université de Toulouse (UT), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), and Université de Toulouse (UT)
Subjects: Accuracy and precision, Optical fiber, Materials science, [SDU.STU.GP]Sciences of the Universe [physics]/Earth Sciences/Geophysics [physics.geo-ph], Arterial distension, fiber Fabry-Perot interferometer, Interference (wave propagation), sensitivity characterization, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, law.invention, Optics, law, heart rate, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, Electrical and Electronic Engineering, [SDU.STU.AG]Sciences of the Universe [physics]/Earth Sciences/Applied geology, Instrumentation, [SDE.IE]Environmental Sciences/Environmental Engineering, business.industry, 010401 analytical chemistry, blood pressure, [SPI.MECA.VIBR]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Vibrations [physics.class-ph], [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, 0104 chemical sciences, Interferometry, Pressure measurement, Fiber optic sensor, fiber optic sensor, [SPI.OPTI]Engineering Sciences [physics]/Optics / Photonic, business, Sensitivity (electronics), Fabry–Pérot interferometer
Abstract: International audience; In this work, a fiber optic-based Fabry-Perot interferometer (FFPI) developed for simultaneous heart rate (HR) and pulse pressure (PP) measurement was investigated. Particularly, the FFPI was designed with simplicity in configuration for highly precise and non-invasive arterial distension measurement whose output was then demodulated via fringe counting to simultaneously obtain both HR and PP information through fringe pattern analysis and Kirchhoff-Love’s plate theory, respectively. The sensitivity was then characterized by linear fitting of measured PP inducing a number of interference fringes, whose slope represented the FFPI sensitivity. Experiments were conducted both on a simulating device and healthy subjects, each measurement carried out at least 10 times. Obtained results demonstrated the FFPI sensitivity for PP measurement in both experiments to be ~1.916 mmHg/fringe. For HR measurements, an average difference of 1.24% was found when compared to a digital sphygmomanometer employed as reference. Analysis of the FFPI resolution revealed the impact of the fringe counting technique, interrogating wavelength, and sensing material properties on measurement accuracy. Consequently, the thickness of the transducing thin film was found to have the most impact on PP demodulation. Therefore, optimization of the aforementioned parameters could lead to the development of a more accurate FFPI for PP measurement.
Published: 2021

37. Detection and Imaging of Magnetic Field in the Low-Frequency Regime Using a Ferromagnetic Thin Film Coated With a Thermo-Fluorescent Layer

Author: Jean-François Bobo, Daniel Prost, Alexis Chevalier, Stéphane Faure, Hugo Ragazzo, ONERA / DEMR, Université de Toulouse [Toulouse], ONERA-PRES Université de Toulouse, Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Laboratoire de physique et chimie des nano-objets (LPCNO), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC), Laboratoire des sciences et techniques de l'information, de la communication et de la connaissance (Lab-STICC), École Nationale d'Ingénieurs de Brest (ENIB)-Université de Bretagne Sud (UBS)-Université de Brest (UBO)-École Nationale Supérieure de Techniques Avancées Bretagne (ENSTA Bretagne)-Institut Mines-Télécom [Paris] (IMT)-Centre National de la Recherche Scientifique (CNRS)-Université Bretagne Loire (UBL)-IMT Atlantique Bretagne-Pays de la Loire (IMT Atlantique), Institut Mines-Télécom [Paris] (IMT), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), and École Nationale d'Ingénieurs de Brest (ENIB)-Université de Bretagne Sud (UBS)-Université de Brest (UBO)-École Nationale Supérieure de Techniques Avancées Bretagne (ENSTA Bretagne)-Institut Mines-Télécom [Paris] (IMT)-Centre National de la Recherche Scientifique (CNRS)-Université Bretagne Loire (UBL)-IMT Atlantique (IMT Atlantique)
Subjects: magnetic coil, Materials science, Field (physics), IMAGERIE, Low frequency, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, CHAMP MAGNETIQUE, Magnetic field imaging, 0103 physical sciences, [PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det], Electrical and Electronic Engineering, 010302 applied physics, thermo-fluorescence, business.industry, Magnetic hysteresis, thermography, Electronic, Optical and Magnetic Materials, Magnetic field, [SPI.ELEC]Engineering Sciences [physics]/Electromagnetism, Permeability (electromagnetism), RESONANCE MAGNETIQUE, Optoelectronics, business, Layer (electronics), Microwave
Abstract: International audience; A novel and original method of LF magnetic field imaging is presented, that uses a magnetic thin film coated with fluorescent dye. Due to high permeability and consequent hysteresis losses, the film is heated by the field. As the fluorescence of the coated material is temperature-dependent, magnetic field mapping can be obtained in a short time and on a large surface by recording images with a S-CMOS camera. This principle had been previously presented in the microwave regime, for both electric and magnetic fields imaging; here we propose first results in the low frequency regime (kHz frequency range).
Published: 2021

38. A Large Starphene Comprising Pentacene Branches

Author: Pablo Herrero, Bolesław Kozankiewicz, Martina Corso, Beatrice Cogliati, Alejandro Berdonces-Layunta, Andrej Jancarik, Jan Holec, James Lawrence, Dimas G. de Oteyza, André Gourdon, Marzena Banasiewicz, Yuuya Nagata, Groupe NanoSciences (CEMES-GNS), Centre d'élaboration de matériaux et d'études structurales (CEMES), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), European Commission, Agence Nationale de la Recherche (France), Centre National de la Recherche Scientifique (France), Ministerio de Ciencia e Innovación (España), Eusko Jaurlaritza, Consejo Superior de Investigaciones Científicas (España), and European Research Council
Subjects: Materials science, decarbonylation, FOS: Physical sciences, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Catalysis, Pentacene, chemistry.chemical_compound, Physics - Chemical Physics, [16]Starphene, Fourier transform infrared spectroscopy, Solubility, Chemical Physics (physics.chem-ph), Organic electronics, HOMO-LUMO gap, 010405 organic chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Chemical shift, scanning tunnelling microscopy, General Chemistry, General Medicine, 021001 nanoscience & nanotechnology, acenes, -conjugation, 0104 chemical sciences, Crystallography, chemistry, solid-state synthesis, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract: Starphenes show promising optoelectronic properties. Notably, HOMO–LUMO energy gap presumably decreases with their increasing size, making larger homologues extremely desirable. Unfortunately, with the size, their instability and insolubility also increase, challenging classical synthetic ways. A new method has been developed, enabling synthesis of large starphenes in a quantity sufficient for their full characterisation and further applications., Starphenes are attractive compounds due to their characteristic physicochemical properties that are inherited from acenes, making them interesting compounds for organic electronics and optics. However, the instability and low solubility of larger starphene homologs make their synthesis extremely challenging. Herein, we present a new strategy leading to pristine [16]starphene in preparative scale. Our approach is based on a synthesis of a carbonyl-protected starphene precursor that is thermally converted in a solid-state form to the neat [16]starphene, which is then characterised with a variety of analytical methods, such as 13C CP-MAS NMR, TGA, MS MALDI, UV/Vis and FTIR spectroscopy. Furthermore, high-resolution STM experiments unambiguously confirm its expected structure and reveal a moderate electronic delocalisation between the pentacene arms. Nucleus-independent chemical shifts NICS(1) are also calculated to survey its aromatic character., This research has been funded in parts by foundation EXPERIENTIA, ERDF/ESF “UOCHB MSCA Mobility” (No. CZ.02.2.69/0.0/0.0/17 050/0008490), and has received funding from the EraNET Cofund Initiatives Quan-tERA under the European Union's Horizon 2020 research and innovation programme grant agreement ORQUID. This project has received financial support from the CNRS through the MITI interdisciplinary programs and JST-ERATO (No. JPMJER1903) and JSPS-WPI. Financial support is also acknowledged from the Spanish Ministry of Science and Innovation (MAT2016-78293-C6, PID2019-107338RB-C63), from the Basque Government (IT-1255-19), from the Spanish National Research Council (CSIC, COOPB20432), from the Euro-pean Regional Development Fund (ERDF) under the program Interreg V-A España-Francia-Andorra (contract no. EFA 194/16 TNSI) and from the European Research Council (grant agreement no. 635919). The authors thank Yannick Coppel (LCC-CNRS, Toulouse) for recording CP-MAS spectra, Jean-Francois Meunier (LCC-CNRS, Toulouse) for thermogravimetric analysis and Vladimir Vrkoslav (IOCB-Prague) for recording MS MALDI spectra.
Published: 2021

39. Photon Statistics of Incoherent Cathodoluminescence with Continuous and Pulsed Electron Beams

Author: Sophie Meuret, Matthias Liebtrau, Toon Coenen, Silke Christiansen, Albert Polman, Kelly W. Mauser, Magdalena Solà-Garcia, Publica, FOM Institute for Atomic and Molecular Physics (AMOLF), Fraunhofer Institute for Ceramic Technologies and Systems (Fraunhofer IKTS), Fraunhofer (Fraunhofer-Gesellschaft), Interférométrie, In situ et Instrumentation pour la Microscopie Electronique (CEMES-I3EM), Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), and ANR-19-CE30-0008,ECHOMELO,Holographie électronique des matériaux pour l'optoélectronique sous excitation lumineuse(2019)
Subjects: Photon, Cathodoluminescence, 02 engineering and technology, Electron, 01 natural sciences, 7. Clean energy, Article, 010309 optics, external quantum efficiency, 0103 physical sciences, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], Electrical and Electronic Engineering, Quantum well, electrical energy supply, Physics, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], photon statistics, layer, mathematical methods, Pulse duration, cathodoluminescence, autocorrelation measurements, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, quantum wells, Electron excitation, Picosecond, Physics::Accelerator Physics, Atomic physics, 0210 nano-technology, plasmons, bunching, Excitation, Biotechnology
Abstract: International audience; Photon bunching in incoherent cathodoluminescence (CL) spectroscopy originates from the fact that a single high-energy electron can generate multiple photons when interacting with a material, thus, revealing key properties of electron−matter excitation. Contrary to previous works based on Monte Carlo modeling, here we present a fully analytical model describing the amplitude and shape of the second order autocorrelation function (g (2) (τ)) for continuous and pulsed electron beams. Moreover, we extend the analysis of photon bunching to ultrashort electron pulses, in which up to 500 electrons per pulse excite the sample within a few picoseconds. We obtain a simple equation relating the bunching strength (g (2) (0)) to the electron beam current, emitter decay lifetime, pulse duration, in the case of pulsed electron beams, and electron excitation efficiency (γ), defined as the probability that an electron creates at least one interaction with the emitter. The analytical model shows good agreement with the experimental data obtained on InGaN/GaN quantum wells using continuous, ns-pulsed (using beam blanker) and ultrashort ps-pulsed (using photoemission) electron beams. We extract excitation efficiencies of 0.13 and 0.05 for 10 and 8 keV electron beams, respectively, and we observe that nonlinear effects play no compelling role, even after excitation with ultrashort and dense electron cascades in the quantum wells.
Published: 2021

40. Scandium-Terminal Boronylphosphinidene Complex

Author: Laurent Maron, Xuebing Leng, Yaofeng Chen, Bin Feng, Li Xiang, Ambre Carpentier, University of Chinese Academy of Sciences [Beijing] (UCAS), Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), National Natural Science Foundation of China [21732007, 21890721, 21821002], K. C. Wong Education Foundation, Strategic Priority Research Program of the Chinese Academy of Sciences [XDB20000000], Shanghai Municipal Committee of Science and Technology, Program of Shanghai Academic Research Leader, and Chinese Academy of Sciences President's International Fellowship Initiative
Subjects: chemistry.chemical_element, General Chemistry, Weak interaction, 010402 general chemistry, 01 natural sciences, Biochemistry, Catalysis, 0104 chemical sciences, Bond length, Crystallography, Colloid and Surface Chemistry, chemistry, Nucleophile, Phosphinidene, Reactivity (chemistry), [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Scandium
Abstract: International audience; The first isolation and structural characterization of a rare-earth metal-terminal imido complex were reported in 2010, but a rare-earth metal-terminal phosphinidene complex is still absent, to date. Herein, we report the synthesis and structure of the first example of a rare-earth-terminal phosphinidene complex, namely the scandium boronylphosphinidene complex. Single-crystal X-ray diffraction shows that the complex has a much shorter Sc-P bond length as compared to that in a related scandium boronylphosphido complex, 2.381(1) angstrom vs 2.564(1) angstrom. DFT calculations indicate the presence of a strong Sc-P pi interaction in this complex, which is in striking contrast to the weak interaction found in the phosphido complex. A preliminary reactivity study demonstrates that the scandium-terminal boronylphosphinidene complex behaves as a nucleophilic phosphinidene complex.
Published: 2021

41. Piecewise structure of Lyapunov functions and densely checked decrease conditions for hybrid systems

Author: Aneel Tanwani, Matteo Della Rossa, Luca Zaccarian, Rafal Goebel, Équipe Méthodes et Algorithmes en Commande (LAAS-MAC), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, Loyola University of Chicago, University of Trento [Trento], ANR-18-CE40-0010,HANDY,Systèmes Dynamiques Hybrides et en Réseau(2018), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), and Université de Toulouse (UT)
Subjects: Lyapunov function, 0209 industrial biotechnology, Class (set theory), Control and Optimization, Dense set, Dynamical systems theory, [MATH.MATH-DS]Mathematics [math]/Dynamical Systems [math.DS], Structure (category theory), Dynamical Systems (math.DS), 02 engineering and technology, 01 natural sciences, [SPI.AUTO]Engineering Sciences [physics]/Automatic, symbols.namesake, 020901 industrial engineering & automation, FOS: Mathematics, Applied mathematics, Mathematics - Dynamical Systems, 0101 mathematics, Mathematics, Applied Mathematics, 010102 general mathematics, Lipschitz continuity, Control and Systems Engineering, Hybrid system, Signal Processing, symbols, Piecewise
Abstract: We propose a class of locally Lipschitz functions with piecewise structure for use as Lyapunov functions for hybrid dynamical systems. Subject to some regularity of the dynamics, we show that Lyapunov inequalities can be checked only on a dense set and thus we avoid checking them at points of nondifferentiability of the Lyapunov function. Connections to other classes of locally Lipschitz or piecewise regular functions are also discussed and applications to hybrid dynamical systems are included., Mathematics of Control, Signals, and Systems, Springer Verlag, In press
Published: 2021

42. Confining Water in Ionic and Organic Solvents to Tune Its Adsorption and Reactivity at Electrified Interfaces

Author: Alexis Grimaud, Mathieu Salanne, Nicolas Dubouis, Alessandra Serva, PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX (PHENIX), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Chimie du solide et de l'énergie (CSE), Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institut Universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), and ANR-19-CE05-0014,BALWISE,Batteries aqueuses au Li utilisant des électrolytes superconcentrés(2019)
Subjects: [PHYS]Physics [physics], Aqueous solution, 010405 organic chemistry, Chemistry, Ionic bonding, General Medicine, General Chemistry, Electrolyte, 010402 general chemistry, 01 natural sciences, Article, 0104 chemical sciences, Adsorption, Chemical engineering, Reactivity (chemistry)
Abstract: International audience; ConspectusThe recent discovery of "water-in-salt" electrolytes has spurred a rebirth of research on aqueous batteries. Most of the attention has been focused on the formulation of salts enabling the electrochemical window to be expanded as much as possible, well beyond the 1.23 V allowed by thermodynamics in water. This approach has led to critical successes, with devices operating at voltages of up to 4 V. These efforts were accompanied by fundamental studies aiming at understanding water speciation and its link with the bulk and interfacial properties of water-in-salt electrolytes. This speciation was found to differ markedly from that in conventional aqueous solutions since most water molecules are involved in the solvation of the cationic species (in general Li+) and thus cannot form their usual hydrogen-bonding network. Instead, it is the anions that tend to self-aggregate in nanodomains and dictate the interfacial and transport properties of the electrolyte. This particular speciation drastically alters the presence and reactivity of the water molecules at electrified interfaces, which enlarges the electrochemical windows of these aqueous electrolytes.Thanks to this fundamental understanding, a second very active lead was recently followed, which consists of using a scarce amount of water in nonaqueous electrolytes in order to control the interfacial properties. Following this path, it was proposed to use an organic solvent such as acetonitrile as a confinement matrix for water. Tuning the salt/water ratio in such systems leads to a whole family of systems that can be used to determine the reactivity of water and control the potential at which the hydrogen evolution reaction occurs. Put together, all of these efforts allow a shift of our view of the water molecule from a passive solvent to a reactant involved in many distinct fields ranging from electrochemical energy storage to (electro)catalysis.Combining spectroscopic and electrochemical techniques with molecular dynamics simulations, we have observed very interesting chemical phenomena such as immiscibility between two aqueous phases, specific adsorption properties of water molecules that strongly affect their reactivity, and complex diffusive mechanisms due to the formation of anionic and aqueous nanodomains.
Published: 2021

43. Newcastle disease virus transmission dynamics in wild peridomestic birds in the United Arab Emirates

Author: Guillaume Le Loc'h, Jean-Luc Guérin, Julien Hirschinger, Timothée Vergne, Yves Hingrat, Lucile Marescot, Interactions hôtes-agents pathogènes [Toulouse] (IHAP), Ecole Nationale Vétérinaire de Toulouse (ENVT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Reneco International Wildlife Consultants LLC, Centre d’Ecologie Fonctionnelle et Evolutive (CEFE), Université Paul-Valéry - Montpellier 3 (UPVM)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), The study was funded by the NARC and the SKHBC-AD, two projects under the leadership of the IFHC., Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Paul-Valéry - Montpellier 3 (UPVM)-École Pratique des Hautes Études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut Agro - Montpellier SupAgro, and Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)
Subjects: 0106 biological sciences, medicine.medical_specialty, 040301 veterinary sciences, Virus transmission, Newcastle Disease, [SDV]Life Sciences [q-bio], Science, Population, Population Dynamics, Newcastle disease virus, United Arab Emirates, Animals, Wild, Disease, 010603 evolutionary biology, 01 natural sciences, Viral infection, Newcastle disease, Communicable Diseases, Article, 0403 veterinary science, Birds, Epidemiology, medicine, Computational models, Animals, education, education.field_of_study, Multidisciplinary, biology, 04 agricultural and veterinary sciences, biology.organism_classification, Infectious disease (medical specialty), Longitudinal field, Medicine, Demography
Abstract: To understand the dynamics of a pathogen in an animal population, one must assess how the infection status of individuals changes over time. With wild animals, this can be very challenging because individuals can be difficult to trap and sample, even more so since they are tested with imperfect diagnostic techniques. Multi-event capture-recapture models allow analysing longitudinal capture data of individuals whose infection status is assessed using imperfect tests. In this study, we used a two-year dataset from a longitudinal field study of peridomestic wild bird populations in the United Arab Emirates during which thousands of birds from various species were captured, sampled and tested for Newcastle disease virus exposure using a serological test. We developed a multi-event capture-recapture model to estimate important demographic and epidemiological parameters of the disease. The modelling outputs provided important insights into the understanding of Newcastle disease dynamics in peridomestics birds, which varies according to ecological and epidemiological parameters, and useful information in terms of surveillance strategies. To our knowledge, this study is the first attempt to model the dynamics of Newcastle disease in wild bird populations by combining longitudinal capture data and serological test results. Overall, it showcased that multi-event capture-recapture models represent a suitable method to analyse imperfect capture data and make reliable inferences on infectious disease dynamics in wild populations.
Published: 2021

44. Nanocatalysts for High Selectivity Enyne Cyclization: Oxidative Surface Reorganization of Gold Sub-2-nm Nanoparticle Networks

Author: Philippe Serp, Emmanuel Lerayer, Pierre Roblin, M. Rosa Axet, Yuanyuan Min, Tuan-Anh Nguyen, Olivier Heintz, Iann C. Gerber, Julien Roger, Jean-Cyrille Hierso, Didier Poinsot, Romuald Poteau, Yannick Coppel, Myrtil L. Kahn, H. Nasrallah, Franck Jolibois, Stéphane Brandès, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Laboratoire de physique et chimie des nano-objets (LPCNO), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Bourgogne (UB)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), CNRS, Université de Bourgogne, Conseil Régional Bourgogne Franche-Comté (CHIMENE project), PIA-excellence ISITE-BFC program (COMICS project: Chemistry of Molecular Interactions Catalysis and Sensors), Fonds Européen de Développement Régional (FEDER), and ANR-16-CE07-0007,ICARE_1,Nanostrucutres métal@carbone innovante pour une catalyse durable(2016)
Subjects: Materials science, Alkyne, Ligands, 010402 general chemistry, 01 natural sciences, Article, enyne cyclization, Cycloisomerization, Cascade reaction, Selectivity, [CHIM.COOR]Chemical Sciences/Coordination chemistry, QD1-999, chemistry.chemical_classification, diamondoids, Enyne, 010405 organic chemistry, Combinatorial chemistry, Hydrocarbons, Nanomaterial-based catalyst, 0104 chemical sciences, Chemistry, chemistry, Cyclization, Colloidal gold, gold sub-2-nm nanoparticles, Propargyl, nanocatalysts, Gold
Abstract: International audience; Ultrasmall gold nanoparticles (NPs) stabilized in networks by polymantane ligands (diamondoids) were successfully used as precatalysts for highly selective heterogeneous gold-catalyzed dimethyl allyl(propargyl)malonate cyclization to 5-membered conjugated diene. Such reaction usually suffers from selectivity issues with homogeneous catalysts. This control over selectivity further opened the way to one-pot cascade reaction, as illustrated by the 1,6-enyne cycloisomerization–Diels–Alder reaction of dimethyl allyl propargyl malonate with maleic anhydride. The ability to assemble nanoparticles with controllable sizes and shapes within networks concerns research in sensors, medical diagnostics, information storage, and catalysis applications. Herein, the control of the synthesis of sub-2-nm gold NPs is achieved by the formation of dense networks, which are assembled in a single step reaction by employing ditopic polymantanethiols. By using 1,1′-bisadamantane-3,3′-dithiol (BAd-SH) and diamantane-4,9-dithiol (DAd-SH), serving both as bulky surface stabilizers and short-sized linkers, we provide a simple method to form uniformly small gold NPs (1.3 ± 0.2 nm to 1.6 ± 0.3 nm) embedded in rigid frameworks. These NP arrays are organized alongside short interparticular distances ranging from 1.9 to 2.7 nm. The analysis of gold NP surfaces and their modification were achieved in joint experimental and theoretical studies, using notably XPS, NMR, and DFT modeling. Our experimental studies and DFT analyses highlighted the necessary oxidative surface reorganization of individual nanoparticles for an effective enyne cycloisomerization. The modifications at bulky stabilizing ligands allow surface steric decongestion for the alkyne moiety activation but also result in network alteration by overoxidation of sulfurs. Thus, sub-2-nm nanoparticles originating from networks building create convenient conditions for generating reactive Au(I) surface single-sites—in the absence of silver additives—useful for heterogeneous gold-catalyzed enyne cyclization. These nanocatalysts, which as such ease organic products separation, also provide a convenient access for building further polycyclic complexity, owing to their high reactivity and selectivity.
Published: 2021

45. Synthesis, crystal structure, magnetic, spectroscopic, and theoretical investigations of two new nitronyl-nitroxide complexes

Author: Céline Pichon, Jean-Pascal Sutter, Mihaela Hillebrand, Mihai Răducă, Marius Andruh, Sergiu Calancea, Teodora Mocanu, Gabriela Ionita, Cristian Andrei Spinu, University of Bucharest (UniBuc), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of Physical Chemistry 'Ilie Murgulescu' Romanian Academy (ICF), State University of Moldova, Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), and Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Nitroxide mediated radical polymerization, Crystal structure, 010402 general chemistry, 010403 inorganic & nuclear chemistry, 01 natural sciences, EPR spectra, 0104 chemical sciences, 3. Good health, Nitrophenol, chemistry.chemical_compound, Crystallography, chemistry, Magnetic properties, Zinc complexes, [CHIM.CRIS]Chemical Sciences/Cristallography, Materials Chemistry, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Nitronyl-nitroxide ligands, Physical and Theoretical Chemistry, Nickel complexes
Abstract: International audience; Two mononuclear complexes [(Et3NH)[M(hfac)2L] (M = Ni, 1; Zn, 2) have been synthesized using a nitronyl-nitroxide radical substituted nitrophenol, that is 2-(2-hydroxy-3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyl, HL, as a proligand. The crystal structures of 1 and 2 have been solved and indicate an octahedral coordination geometry of the metal ions. The magnetic behavior for 1 is characterized by a strong antiferromagnetic metal–radical interaction (J = −351 ± 1 cm−1; H = −JSNiSRad). This exchange interaction was rationalized by DFT calculations. The EPR spectra recorded in both solution and solid state at 120 K confirm the S = ½ ground state for 1.
Published: 2021

46. Uncatalyzed Formation of Polyaminoboranes from Diisopropylaminoborane and Primary Amines: a Kinetically Controlled Polymerization Reaction

Author: Gilles Alcaraz, Elsa Caytan, Chiara Dinoi, Carlos Antonio De Albuquerque Pinheiro, Marc Devillard, Iker del Rosal, Claire Roiland, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de physique et chimie des nano-objets (LPCNO), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Brazilian Ministry of Education, CAPES, Region Bretagne Region Bretagne [17048], CALMIP Region Occitanie [2017-[p17010]], Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC), Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)
Subjects: Primary (chemistry), 010405 organic chemistry, aminoboranes, chemistry.chemical_element, [CHIM.CATA]Chemical Sciences/Catalysis, General Chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Monomer, BN compounds, Polymerization, chemistry, polymerization, Inorganic polymers, [CHIM]Chemical Sciences, boron, Boron, ComputingMilieux_MISCELLANEOUS
Abstract: International audience; Recently, we disclosed the uncatalyzed formation of polyaminoboranes (PABs) from monomeric diisopropylaminoborane ((Pr2N)-Pr-i-BH2) and primary amines (RNH2). Their structure is studied through a detailed multinuclear NMR study and their full spectroscopic characterization is presented revealing that N-alkyl substituted PABs exhibit magnetically non-equivalent methylenic protons in the close vicinity of the BN-backbone. We also performed an in-depth theoretical study of this global chemical process. The mechanism is fully apprehended and the strong influence of the temperature on the outcome of the reaction is unveiled. DFT-calculations clearly show that the formation of the polyaminoboranes (RNH-BH2)(n) results from a kinetically controlled step-growth polymerization reaction that can be globally viewed as a head-to-tail association process of the in situ generated transient monomeric monoalkylamino-borane [RNH-BH2].
Published: 2021

47. Dietary fibre level influence on young cane rat Thryonomys swinderianus growth and digestive health

Author: Francis Enjalbert, Thierry Gidenne, YM Yapi, Génétique Physiologie et Systèmes d'Elevage (GenPhySE ), Ecole Nationale Vétérinaire de Toulouse (ENVT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-École nationale supérieure agronomique de Toulouse [ENSAT]-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut National Polytechnique Houphouët-Boigny, Cote d'Ivoire, and Institut National Polytechnique Houphouët-Boigny [Cote d'Ivoire]
Subjects: 0106 biological sciences, 2. Zero hunger, animal health, biology, Animal health, optimal fibre content, 010607 zoology, Dietary fibre, Cane rat, food and beverages, macromolecular substances, gut health, biology.organism_classification, 010603 evolutionary biology, 01 natural sciences, Animal science, [SDV.SA.SPA]Life Sciences [q-bio]/Agricultural sciences/Animal production studies, acid detergent fibre, Animal Science and Zoology, Cane, Thryonomys swinderianus, diet
Abstract: International audience; The cane rat (Thryonomys swinderianus) is a wild animal recently domesticated in Africa for meat production. The effect of dietary fibre levels on the digestive health and growth in the young cane rat remains largely unknown. Dietary fibre intake, however, seems to play an important role in its digestive functioning. The aim of this study was to investigate the effect of dietary fibre intake on young cane rats. The estimated optimal dietary fibre content of pelleted diets, which optimised growth without impairing health in young T. swinderianus was examined. The feed intake, growth and health of young cane rats were assessed for four diets with dietary fibre levels set at 7, 12, 20 and 24% acid detergent fibre (ADF) on four groups of 18 animals each. Growth was best with the 12% ADF diet followed by 20% ADF diet, with average live weights reaching 1 404 g and 1 325 g, respectively, at 114 days of age. In contrast and compared with the 12% ADF diet, the 24% ADF diet resulted in a 9% weight reduction. Additionally, the 7% ADF diet led to a 33% mortality rate due to enteritis (without diarrhoea), but was associated with inflammation in the stomach and small intestine. We conclude that the optimal fibre content for growing cane rats fed on complete pelleted diets would be between 12% and 20%.
Published: 2021

48. Chordal-TSSOS: A Moment-SOS Hierarchy That Exploits Term Sparsity with Chordal Extension

Author: Jie Wang, Victor Magron, Jean B. Lasserre, Équipe Méthodes et Algorithmes en Commande (LAAS-MAC), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), ANR-18-ERC2-0004,COPS,Optimisation garantie pour la vérification des systèmes cyber-physiques(2018), ANR-19-P3IA-0004,ANITI,Artificial and Natural Intelligence Toulouse Institute(2019), European Project: 813211,H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions (Main Programme), H2020-EU.1.3.1. - Fostering new skills by means of excellent initial training of researchers ,10.3030/813211,POEMA(2019), European Project: 666981,H2020,ERC-2014-ADG,TAMING(2015), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, and European Project: 813211,H2020,POEMA(2019)
Subjects: 0211 other engineering and technologies, 14P10, 90C25, 12D15, 12Y05, 010103 numerical & computational mathematics, 02 engineering and technology, 01 natural sciences, moment relaxation, Theoretical Computer Science, Combinatorics, chordal graph, Chordal graph, FOS: Mathematics, 0101 mathematics, Mathematics - Optimization and Control, Mathematics, Semidefinite programming, 021103 operations research, Hierarchy (mathematics), Extension (predicate logic), Complement (complexity), Term (time), Moment (mathematics), Optimization and Control (math.OC), Polynomial optimization problem, term-sparsity, [MATH.MATH-OC]Mathematics [math]/Optimization and Control [math.OC], Preprint, Software, MathematicsofComputing_DISCRETEMATHEMATICS
Abstract: This work is a follow-up and a complement to arXiv:1912.08899 [math.OC] for solving polynomial optimization problems (POPs). The chordal-TSSOS hierarchy that we propose is a new sparse moment-SOS framework based on term-sparsity and chordal extension. By exploiting term-sparsity of the input polynomials we obtain a two-level hierarchy of semidefinite programming relaxations. The novelty and distinguishing feature of such relaxations is to obtain quasi block-diagonal matrices obtained in an iterative procedure that performs chordal extension of certain adjacency graphs. The graphs are related to the terms arising in the original data and not to the links between variables. Various numerical examples demonstrate the efficiency and the scalability of this new hierarchy for both unconstrained and constrained POPs. The two hierarchies are complementary. While the former TSSOS arXiv:1912.08899 [math.OC] has a theoretical convergence guarantee, the chordal-TSSOS has superior performance but lacks this theoretical guarantee., 29 pages, 14 tables, 5 figures. arXiv admin note: text overlap with arXiv:1912.08899
Published: 2021

49. Enhanced aminolysis of cyclic carbonates by β-hydroxylamines for the production of fully biobased polyhydroxyurethanes

Author: Baptiste Quienne, Julien Pinaud, Rinaldo Poli, Sylvain Caillol, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), and Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Substituent, Thermosetting polymer, 02 engineering and technology, 010402 general chemistry, Time gap, DFT, 01 natural sciences, Reaction rate, chemistry.chemical_compound, Aminolysis, Environmental Chemistry, Organic chemistry, Reactivity (chemistry), Cyclic carbonate, Curing (chemistry), Polyhydroxyurethanes, Chemistry, Reactivity, 021001 nanoscience & nanotechnology, Pollution, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Biobased polymers, [CHIM.POLY]Chemical Sciences/Polymers, β-hydroxylamines, 0210 nano-technology
Abstract: International audience; The aminolysis of five-membered cyclic carbonates, which results in polyhydroxyurethanes (PHUs), is one of the most promising synthetic pathways to achieve isocyanate-free polyurethanes (NIPUs), one of the main industrial challenges over the coming years. This study highlights the higher reactivity of β-hydroxylamines toward cyclic carbonates compared to classical alkylamines through the determination of their reaction rate constants. The key role of the β-OH substituent in the aminolysis was revealed by DFT investigation. Polyfunctional alkylamine and β-hydroxyamine were then used for the synthesis of fully biobased PHU thermosets. The higher reactivity of β-hydroxylamines was confirmed by the gelation time gap between the two formulations studied. After curing, the thermal and thermo-mechanical properties of the thermosets were compared.
Published: 2021

50. Intercalation–exfoliation processes during ionic exchange reactions from sodium lepidocrocite-type titanate toward a proton-based trititanate structure

Author: Seongkoo Kang, Olivier Dubrunfaut, Serge Durand-Vidal, Monique Body, Christophe Legein, Damien Dambournet, Jean-Claude Badot, Olaf J. Borkiewicz, PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX (PHENIX), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Institut de Recherche de Chimie Paris (IRCP), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ministère de la Culture (MC), Institut des Molécules et Matériaux du Mans (IMMM), Le Mans Université (UM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Argonne National Laboratory [Lemont] (ANL), Laboratoire Génie électrique et électronique de Paris (GeePs), CentraleSupélec-Sorbonne Université (SU)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), 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)-Ministère de la Culture (MC)
Subjects: Hydronium, Chemistry, Intercalation (chemistry), Inorganic chemistry, Oxide, General Physics and Astronomy, Ionic bonding, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Exfoliation joint, Titanate, 0104 chemical sciences, Ion, Metal, chemistry.chemical_compound, visual_art, visual_art.visual_art_medium, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, 0210 nano-technology
Abstract: International audience; Topochemical reactions involving ionic exchange have been used to assess a large number of metastable compositions, particularly in layered metal oxides. This method encompasses complex reactions that are poorly explored, yet are of prime importance to understand and control the materials' properties. In this work, we embark on investigating the reactions involved during the ionic exchange between a layered Na-titanate (lepidocrocite-type structure) and an acidic solution (HCl), leading to a protonic (H3O+) titanate (trititanate structure). The reactions involve an ionic exchange provoking a structural change from the lepidocrocite-type to the trititanate structure as shown by real-space refinements of ex situ pair distribution function data. Mobile Na+ ions are exchanged by hydronium ions inducing high proton mobility in the final structure. Moreover, the reaction was followed by ex situ 23Na and 1H solid-state MAS NMR which allowed, among other things, confirming that the Na+ ions are in the interlayer space and specifying their local environment. Strikingly, the ionic exchange reaction induces progressive exfoliation of the Na-titanate particles leading to 2-5 nm thin elongated crystallites. To further understand the different steps associated with the ionic exchange, the evolution of the electrolytic conductivity, using conductimetric titration, has been monitored upon HCl addition, enabling characterization of the intercalation(H+)/de-intercalation(Na+) reactions and assessing kinetic parameters. Accordingly, it is hypothesized that the exfoliation of the particles is due to the accumulation of charges at the particle level in relation to the rapid intercalation of protons. This work provides novel insights into ionic exchange reactions involved in layered oxide compounds.
Published: 2021

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