Author: "Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)" - Searchworks@Jio Institute Digital Library Search Results

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389 results on '"Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)"'

1. Catalytic activity of Cu/η-Al2O3 catalysts prepared from aluminum scraps in the NH3-SCO and in the NH3-SCR of NO

Author: Hassib Tounsi, Nawel Jraba, Thabet Makhlouf, Gérard Delahay, Université de Sfax - University of Sfax, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Copper oxide, Materials science, Health, Toxicology and Mutagenesis, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Catalysis, chemistry.chemical_compound, Aluminium, Environmental Chemistry, Fourier transform infrared spectroscopy, [SDE.IE]Environmental Sciences/Environmental Engineering, 010405 organic chemistry, Cu/η-Al2O3, Selective catalytic reduction, [CHIM.CATA]Chemical Sciences/Catalysis, General Medicine, Pollution, Copper, Evaporation (deposition), 0104 chemical sciences, chemistry, H2-TPR, TEM, NH3-SCO, NH3-SCR, [CHIM.OTHE]Chemical Sciences/Other, Dispersion (chemistry), Nuclear chemistry
Abstract: Copper loaded η-alumina catalysts with different copper contents have been prepared by impregnation/evaporation method. The catalysts were characterized by XRD, FTIR, BET, UV–vis, H2-TPR and evaluated in the selective catalytic reduction of NO by NH3 and in the selective catalytic oxidation of NH3. The characterization techniques showed that the impregnation/evaporation method permits to obtain highly dispersed copper oxide species on the η-alumina surface when low amount of copper is used (1wt. % and 2 wt.%). The wet impregnation method made it possible to reach a well dispersion of the copper species on the surface of the alumina for the low copper contents Cu(1)-Al2O3 and Cu(2)-Al2O3. The latter justifies the similar behavior of Cu(1)-Al2O3) and Cu(2)-Al2O3 in the selective catalytic oxidation of NH3 where these catalysts exhibit a conversion of NH3 to N2 of the order of 100% at T > 500°C.
Published: 2021

2. Mechanochemical N-Chlorination Reaction of Hydantoin: In Situ Real-Time Kinetic Study by Powder X-ray Diffraction and Raman Spectroscopy

Author: Francesco Delogu, Sebastian Haferkamp, Torvid Feiler, Maria Carta, Inês C. B. Martins, Franziska Emmerling, Evelina Colacino, Martin-Luther-Universität Halle Wittenberg (MLU), Universita degli Studi di Cagliari [Cagliari], Dipartimento di Ingegneria Meccanica, 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), BAM Federal Institute for Materials Research and Testing, Federal Institute for Materials Research and Testing - Bundesanstalt für Materialforschung und -prüfung (BAM), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: In situ, Materials science, 010405 organic chemistry, Renewable Energy, Sustainability and the Environment, General Chemical Engineering, Hydantoin, General Chemistry, 010402 general chemistry, Kinetic energy, 01 natural sciences, 0104 chemical sciences, symbols.namesake, chemistry.chemical_compound, chemistry, X-ray crystallography, symbols, [CHIM]Chemical Sciences, Environmental Chemistry, Physical chemistry, Raman spectroscopy, ComputingMilieux_MISCELLANEOUS
Abstract: International audience
Published: 2021

3. Unidirectional Perpendicularly Aligned Lamella-Structured Oligosaccharide (A) ABA Triblock Elastomer (B) Thin Films Utilizing Triazolium

Author: Johanna Majoinen, Cécile Bouilhac, Patrice Rannou, Redouane Borsali, Matériaux Interfaces ELectrochimie (MIEL), Laboratoire d'Electrochimie et de Physico-chimie des Matériaux et des Interfaces (LEPMI), Institut de Chimie du CNRS (INC)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Institut de Chimie du CNRS (INC)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), SYstèmes Moléculaires et nanoMatériaux pour l’Energie et la Santé (SYMMES), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), Synthèse, Structure et Propriétés de Matériaux Fonctionnels (STEP ), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Department of Applied Physics [Aalto], Aalto University, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Centre de Recherches sur les Macromolécules Végétales (CERMAV), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), and 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)
Subjects: Letter, Polymers and Plastics, Polymers, Oligosaccharides, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Inorganic Chemistry, Hemiterpenes, X-Ray Diffraction, Scattering, Small Angle, Materials Chemistry, Butadienes, [CHIM]Chemical Sciences, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, ComputingMilieux_MISCELLANEOUS, [PHYS]Physics [physics], Organic Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, Triazoles, 021001 nanoscience & nanotechnology, 0104 chemical sciences, [CHIM.POLY]Chemical Sciences/Polymers, Elastomers, Solvents, Gases, 0210 nano-technology
Abstract: We designed and synthesized high chi-low N-maltoheptaose-(triazolium(+)/N(SO2CF3)(2)(-))-polyisoprene-(triazolium(+)/N-(SO2CF3)(2)(-) -maltoheptaose ABA triblock elastomers featuring triazolium(+)/N(SO2 CF3)(2)(-) (TFSI-) counteranion ionic interfaces separating their constituting polymeric sub-blocks. Spin-coated and solvent-vapor- annealed (SVA) MH1.2k-(T+/TFSI-)-PI4.3k-(T+/TFSI-)-MH1.2k thin films demonstrate interface-induced charge cohesion through ca. 1 nm "thick" ionic nanochannels which facilitate the self-assembly of a perpendicularly aligned lamellar structure. Atomic force microscopy (AFM) and (grazing-incidence) small-angle X-ray scattering ((GI)-SAXS) characterizations of MH1.2k-(T+/TFSI-)-PI4.3k-(T+/TFSI-)- MH1.2k and pristine triBCP analogous thin films revealed sub-10 nm block copolymer (BCP) self-assembly and unidirectionally aligned nanostructures developed over several mu m(2) areas. Solvated TFSI- counterions enhance the oligosaccharide sub-block packing during SVA. The overall BCP phase behavior was mapped through SAXS characterizations comparing di- vs triblock polymeric architectures, a middle PI sub-block with two different molecular masses, and TFSI- or I- counteranion effects. This work highlights the benefits of inducing single-point electrostatic interactions within chemical structures of block copolymers to master the long-range self-assembly of prescribed morphologies.
Published: 2022

4. Recent Trends in Elaboration, Processing, and Derivatization of Cellulosic Materials Using Ionic Liquids

Author: Ahmed Salama, Peter Hesemann, National Research Center [Dokki, Egypt], Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), and 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)
Subjects: Renewable Energy, Sustainability and the Environment, General Chemical Engineering, Extraction (chemistry), Cellulose derivatives, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Chemical engineering, Cellulosic ethanol, Ionic liquid, [CHIM]Chemical Sciences, Environmental Chemistry, Cellulose, 0210 nano-technology, Derivatization, ComputingMilieux_MISCELLANEOUS, Elaboration
Abstract: Sustainable biopolymers are promising raw resources for the development of novel biomaterials with vast potential in various application fields. Nonetheless, the processing and derivatization of bi...
Published: 2020

5. Engineering Fe–N Doped Graphene to Mimic Biological Functions of NADPH Oxidase in Cells

Author: Ruibin Li, Weili Wang, Di Wu, Jingkun Li, Huizhen Zheng, Xiaoming Cai, Meng Gao, Frédéric Jaouen, Qianqian Xie, Shujuan Xu, Jia Li, Ronglin Ma, Yanxia Pan, Xi Liu, Washington State University (WSU), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), ABiMS - Informatique et bioinformatique = Analysis and Bioinformatics for Marine Science (FR2424), Station biologique de Roscoff (SBR), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Guangdong Provincial Center for Disease Control and Prevention, Soochow University, and 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)
Subjects: Models, Molecular, Enzyme complex, THP-1 Cells, Interleukin-1beta, 01 natural sciences, Biochemistry, chemistry.chemical_compound, Colloid and Surface Chemistry, Chronic granulomatous disease, Biomimetic Materials, Superoxides, Doping, NADPH oxidase, biology, Superoxide, [CHIM.MATE]Chemical Sciences/Material chemistry, respiratory system, Transmembrane protein, cardiovascular system, Graphite, Signal transduction, Oxidation-Reduction, Signal Transduction, circulatory and respiratory physiology, inorganic chemicals, Nitrogen, Iron, 010402 general chemistry, Catalysis, Immune system, medicine, Humans, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], NOx, Fluorescent Dyes, Peroxidase, Interleukin-6, Tumor Necrosis Factor-alpha, Nanozyme, NADPH Oxidases, [CHIM.CATA]Chemical Sciences/Catalysis, General Chemistry, medicine.disease, 0104 chemical sciences, chemistry, Nanocatalyst, biology.protein, Graphene, Reactive Oxygen Species, NADP
Abstract: International audience; NADPH oxidase (NOX) as a transmembrane enzyme complex controls the generation of superoxide that plays important roles in immune signaling pathway. NOX inactivation may elicit immunodeficiency and cause chronic granulomatous disease (CGD). Biocompatible synthetic materials with NOX-like activities would therefore be interesting as curative and/or preventive approaches in case of NOX deficiency. Herein, we synthesized a Fe–N doped graphene (FeNGR) nanomaterial that could mimic the activity of NOX by efficiently catalyzing the conversion of NADPH into NADP+ and triggering the generation of oxygen radicals. The resulting FeNGR nanozyme had similar cellular distribution to NOX and is able to mimic the enzyme function in NOX-deficient cells by catalyzing the generation of superoxide and retrieving the immune activity, evidenced by TNF-α, IL-1β, and IL-6 production in response to Alum exposure. Overall, our study discovered a synthetic material (FeNGR) to mimic NOX and demonstrated its biological function in immune activation of NOX-deficient cells.
Published: 2020

6. Facile modifications of HKUST-1 by V, Nb and Mn for low-temperature selective catalytic reduction of nitrogen oxides by NH 3

Author: Abdelali Zaki, Karim Adil, Katarzyna Świrk, Gérard Delahay, Amandine Cadiau, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), and 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)
Subjects: Niobium, chemistry.chemical_element, Vanadium, Selective catalytic reduction, 02 engineering and technology, General Chemistry, Manganese, [CHIM.CATA]Chemical Sciences/Catalysis, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Catalysis, 0104 chemical sciences, Adsorption, chemistry, [CHIM]Chemical Sciences, 0210 nano-technology, Nitrogen oxides, ComputingMilieux_MISCELLANEOUS, Water vapor, Nuclear chemistry
Abstract: International audience; HKUST-1 catalysts were impregnated with vanadium, niobium and manganese species and tested in NH 3-SCR for NO removal. No reduction of NO by NH 3 was registered for the unmodified HKUST-1 and disappearance of NO was attributed to adsorption. After a pretreatment at 185°C, the best catalytic performance was found for HKUST-1-Mn with 100% and 80% conversion of NH 3 and NO, respectively at 185°C. For the first time, the H 2 O tolerance was examined on the modified HKUST-1 catalyst. The addition of water vapor resulted in decrease of NO and NH 3 conversions, which was immediately recovered when H 2 O feeding was stopped. The NO conversion dropped from 76% to 68% after 35 min of H 2 O addition.
Published: 2022

7. Grafting from Fluoropolymers Using ATRP: What is Missing?

Author: Marc Guerre, Mona Semsarilar, Vincent Ladmiral, 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), 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)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Institut Européen des membranes (IEM), Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), 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 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), P3R - Polymères de Précision par Procédés Radicalaires (P3R), 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), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM), and Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM)
Subjects: PVDF, Dehydrofluorination, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, Grafting-from strategy, [CHIM.POLY]Chemical Sciences/Polymers, [CHIM]Chemical Sciences, 0210 nano-technology, Fluoropolymers, ComputingMilieux_MISCELLANEOUS
Abstract: International audience; Grafting polymers from fluoropolymer backbones is very advantageous to modify the properties of these often non-functional materials. It is particularly useful in the field of ultrafiltration membranes to tune the hydrophilicity of PVDF membranes and to add other properties such as antifouling for example. One of the main techniques used to effect such grafting is ATRP. A large number of papers are published every year on this topic. However, careful examination of this body of work reveals that the evidence provided to support the covalent bonding of polymer chains on the fluoropolymers are often limited and rather unconvincing. This is of course due to the difficult detection of the rare connecting covalent bonds. Nevertheless, this detection problem is not the only issue. Grafting from fluoropolymers using ATRP relies on the homolytic cleavage of C−F bond, notorious for their high stability and BDE. Moreover, fluoropolymers based on VDF are prone to dehydrofluorination by reaction with bases and nucleophiles, which leads to the formation of unsaturations within the polymer backbone. This reaction is often completely ignored even though ATRP ligands can trigger this elimination. These two very often overlooked reactivity features seriously question the use of ATRP as an efficient grafting technique for fluoropolymers.
Published: 2021

8. Non‐Covalent Polymer Surface Modification of Cellulose Nanocrystals Using Block Copolymers

Author: Torres-Rocha, Olga Lidia, Campbell, Sophie, Woodcock, Nicole, Pinaud, Julien, Lacroix-Desmazes, Patrick, Champagne, Pascale, Cunningham, Michael, 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), Department of Chemical Engineering, Queen's University, Queen's University, Queen's University [Kingston, Canada], and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Polymers and Plastics, nitroxide me-diated polymerization, General Chemical Engineering, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, block copolymers, graft modification, [CHIM]Chemical Sciences, 0210 nano-technology, cellulose nanocrystals, ComputingMilieux_MISCELLANEOUS
Abstract: International audience; Cellulose nanocrystals (CNC) possess desirable mechanical and opticalproperties that make them a candidate in the development of the nextgeneration of polymer-based composites. However, CNC also have a criticalissue associated with their use: their hydrophilicity and incompatibility withhydrophobic polymers. CNC surface properties must be modified for them tobe successfully implemented by the industrial sector. Grafting (co)polymerschains on the CNC surface can provide compatibility to CNC withhydrophobic matrices and expand their potential range of applications. In thiscommunication preliminary results of a simple method to functionalize CNCsurface are reported using block copolymers, where a cationic block anchorsvia complexation to the anionically charged CNC surface and the other blockacts as a stabilizing block, providing dispersibility in various solvents. This is amuch simpler and less expensive method than current routes based oncovalent modification. The block copolymers poly(polyethylene glycolmethacrylate)-b-poly(N-butyl-N′-vinyl imidazolium bromide)(PPEGMA-b-PBuVIm) and poly(styrene)-b-PBuVIm (PS-b-PBuVIm) are firstsynthesized via nitroxide-mediated polymerization and then non-covalentlyadsorbed on the CNC surface. The functionalization has been confirmed viaFT-IR and TGA. The dispersion of polymer-modified CNC materials in organicsolvents is evaluated via dynamic light scattering. Modified CNC yieldedstable dispersions in organic solvents.
Published: 2021

9. Dynamical approximations for composite quantum systems: Assessment of error estimates for a separable ansatz

Author: Irene Burghardt, Rémi Carles, Clotilde Fermanian Kammerer, Benjamin Lasorne, Caroline Lasser, Institute of Physical and Theoretical Chemistry [Frankfurt am Main], Goethe-Universität Frankfurt am Main, Institut de Recherche Mathématique de Rennes (IRMAR), AGROCAMPUS OUEST, 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)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Université de Rennes 2 (UR2), Université de Rennes (UNIV-RENNES)-École normale supérieure - Rennes (ENS Rennes)-Centre National de la Recherche Scientifique (CNRS)-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), Laboratoire Analyse et Mathématiques Appliquées (LAMA), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université Gustave Eiffel, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Zentrum Mathematik, Technische Universität München, Technische Universität Munchen - Université Technique de Munich [Munich, Allemagne] (TUM), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-École normale supérieure - Rennes (ENS Rennes)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-Institut Agro Rennes Angers, 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 Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM), 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)-École normale supérieure - Rennes (ENS Rennes)-Université de Rennes 2 (UR2), Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)-Institut Agro Rennes Angers, 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), Technische Universität München [München] (TUM), INSTITUT AGRO Agrocampus Ouest, 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 des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Rennes (ENS Rennes)-Université de Rennes 2 (UR2), Université de Rennes (UNIV-RENNES)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES), and 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)
Subjects: Statistics and Probability, Chemical Physics (physics.chem-ph), composite quantum systems, Quantum Physics, scale separation, dimension reduction, [PHYS.MPHY]Physics [physics]/Mathematical Physics [math-ph], General Physics and Astronomy, FOS: Physical sciences, Statistical and Nonlinear Physics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph], Modeling and Simulation, Physics - Chemical Physics, quantum dynamics, system-bath theory, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Quantum Physics (quant-ph), Mathematical Physics, quantum tunneling
Abstract: Numerical studies are presented to assess error estimates for a separable (Hartree) approximation for dynamically evolving composite quantum systems which exhibit distinct scales defined by their mass and frequency ratios. The relevant error estimates were formally described in our previous work Burghardt et al (2021 J. Phys. A: Math. Theor. 54 414002). Specifically, we consider a representative two-dimensional tunneling system where a double well and a harmonic coordinate are cubically coupled. The time-dependent Hartree approximation is compared with a fully correlated solution, for different parameter regimes. The impact of the coupling and the resulting correlations are quantitatively assessed in terms of a time-dependent reaction probability along the tunneling coordinate. We show that the numerical error is correctly predicted on moderate time scales by a theoretically derived error estimate.
Published: 2021

10. Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study

Author: Meryem Saidi, Phuoc Hoang Ho, Pankaj Yadav, Fabrice Salles, Clarence Charnay, Luc Girard, Leila Boukli-Hacene, Philippe Trens, 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 Séparative de Marcoule (ICSM - UMR 5257), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-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 Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), and Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
Subjects: adsorption, metal organic framework, carbon dioxide, ethanol, Organic Chemistry, Pharmaceutical Science, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Article, 0104 chemical sciences, Analytical Chemistry, QD241-441, Chemistry (miscellaneous), Drug Discovery, Molecular Medicine, Physical and Theoretical Chemistry, 0210 nano-technology
Abstract: This paper reports on the comparison of three zirconium-based metal organic frameworks (MOFs) for the capture of carbon dioxide and ethanol vapour at ambient conditions. In terms of efficiency, two parameters were evaluated by experimental and modeling means, namely the nature of the ligands and the size of the cavities. We demonstrated that amongst three Zr-based MOFs, MIP-202 has the highest affinity for CO2 (−50 kJ·mol−1 at low coverage against around −20 kJ·mol−1 for MOF-801 and Muc Zr MOF), which could be related to the presence of amino functions borne by its aspartic acid ligands as well as the presence of extra-framework anions. On the other side, regardless of the ligand size, these three materials were able to adsorb similar amounts of carbon dioxide at 1 atm (between 2 and 2.5 µmol·m−2 at 298 K). These experimental findings were consistent with modeling studies, despite chemisorption effects, which could not be taken into consideration by classical Monte Carlo simulations. Ethanol adsorption confirmed these results, higher enthalpies being found at low coverage for the three materials because of stronger van der Waals interactions. Two distinct sorption processes were proposed in the case of MIP-202 to explain the shape of the enthalpic profiles.
Published: 2021

11. Xanthurenic Acid in the Shell Purple Patterns of Crassostrea gigas: First Evidence of an Ommochrome Metabolite in a Mollusk Shell

Author: Bruno Boury, Isabelle Parrot, Michel Bonnard, Institut des Biomolécules Max Mousseron [Pôle Chimie Balard] (IBMM), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Xanthurenates, Metabolite, Pharmaceutical Science, Organic chemistry, Mass spectrometry, Tandem mass spectrometry, porphyrins, Analytical Chemistry, Melanin, 03 medical and health sciences, chemistry.chemical_compound, Pigment, 0302 clinical medicine, QD241-441, Animal Shells, Phenothiazines, Drug Discovery, [CHIM]Chemical Sciences, Animals, Xanthurenic acid, Physical and Theoretical Chemistry, Crassostrea, Ommochrome, 030304 developmental biology, Melanins, 0303 health sciences, biology, Pigmentation, Communication, Crassostrea gigas, biology.organism_classification, shell pigments, chemistry, Biochemistry, Solubility, Chemistry (miscellaneous), xanthurenic acid, visual_art, ommochromes, visual_art.visual_art_medium, Metabolome, Molecular Medicine, Acids, Oxidation-Reduction, 030217 neurology & neurosurgery
Abstract: International audience; Ommochromes are one of the least studied groups of natural pigments, frequently confused with melanin and, so far, exclusively found in invertebrates such as cephalopods and butterflies. In this study focused on the purple color of the shells of a mollusk, Crassostrea gigas, the first evidence of a metabolite of ommochromes, xanthurenic acid (XA), was obtained by liquid chromatography combined with mass spectrometry (UPLC-MS). In addition to XA and various porphyrins previously identified, a second group of high molecular weight acid-soluble pigments (HMASP) has been identified with physicochemical and structural characteristics similar to those of ommochromes. In addition, fragmentation of HMASP by tandem mass spectrometry (MS/MS) has revealed a substructure common to XA and ommochromes of the ommatin type. Furthermore, the presence of melanins was excluded by the absence of characteristic by-products among the oxidation residues of HMASP. Altogether, these results show that the purple color of the shells of Crassostrea gigas is a complex association of porphyrins and ommochromes of potentially ommatin or ommin type.
Published: 2021

12. Fe-N-Carbon aerogel catalyst for oxygen reduction reaction

Author: Ge, Hongxin, Jaouen, Frederic, Bibent, Nicolas, Kumar, Kavita, Dubau, Laetitia, Maillard, Frédéric, Berthon-Fabry, Sandrine, Centre Procédés, Énergies Renouvelables, Systèmes Énergétiques (PERSEE), MINES ParisTech - École nationale supérieure des mines de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Electrochimie Interfaciale et Procédés (EIP), Laboratoire d'Electrochimie et de Physico-chimie des Matériaux et des Interfaces (LEPMI), Institut de Chimie du CNRS (INC)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Institut de Chimie du CNRS (INC)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), ANR, ANR-19-CE05-0039,ANIMA,Aérogels de carbone poreux dopés à l'azote et avec des métaux abondants pour des assemblages membrane-électrodes efficaces et durables(2019), and 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)
Subjects: oxygen reduction reaction, non-precious metal catalysts, [CHIM.CATA]Chemical Sciences/Catalysis, [CHIM.MATE]Chemical Sciences/Material chemistry, proton-exchange membrane fuel cells
Abstract: International audience; Proton exchange membrane fuel cell (PEMFC)s are an excellent energy conversion device for wide application of hydrogen, especially for portable or transportation applications. To reduce the total cost of these devices, non-precious-metal catalysts (NPMCs) have shown promises in replacing platinum-based catalysts. Among NPMCs, iron-nitrogen-carbon (Fe-N-C) catalysts subclass are the most mature. These catalysts are based on nitrogen (N) coordinated iron (Fe) ions embedded in a carbon (C) matrix acting as catalytically active centers. Numerous studies have focused on promoting their catalytic performance towards the oxygen reduction reaction (ORR). Nevertheless, such materials remain less performant than carbon-supported platinum nanoparticles (Pt/C), leading to ca. 3-10 times thicker cathodes, and associated mass transport limitations.Carbon aerogels are ideal candidates to synthesize Fe-N-C catalysts with tuneable mass transport properties thanks to their tridimensional open texture, tailored pore size distribution from micro to macropores and their good electrical conductivity. Herein, we show the promises of Fe-N-C aerogels synthesized a “one pot” sol-gel method comprising formation of a Fe-doped resorcinol (R)-formaldehyde (F)-melamine (M) hydrogel, and followed by carbon dioxide (CO2) supercritical drying, and high temperature pyrolysis under N2 and NH3 atmosphere. By introducing ligands in the synthesis mixture, we modified the chemical environment of the Fe precursor. The resulting changes in morphology, ORR activity and mass transport properties are investigated a rotating disk electrode (RDE) set-up and a PEMFC device.
Published: 2021

13. Synergistic Effects of Cardanol- and High Oleic Soybean Oil Vinyl Monomers in Miniemulsion Polymers

Author: Zoriana Demchuk, Hermella Eshete, Andriy Voronov, Sylvain Caillol, W S Jennifer Li, North Dakota State University (NDSU), 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), University of Southern Mississippi (USM), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: food.ingredient, General Chemical Engineering, macromolecular substances, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Soybean oil, biobased polymer, chemistry.chemical_compound, food, Environmental Chemistry, Organic chemistry, cardanol, emulsion, chemistry.chemical_classification, Cardanol, latex, Renewable Energy, Sustainability and the Environment, technology, industry, and agriculture, General Chemistry, Polymer, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Miniemulsion, [CHIM.POLY]Chemical Sciences/Polymers, Vegetable oil, Monomer, vegetable oil, chemistry, Polymerization, Emulsion, 0210 nano-technology
Abstract: International audience; Along with characterization of vinyl monomers from high oleic soybean oil (HOSBM) and cardanol (CBM) in free radical (co)polymerization, a series of stable latexes based on various ratios of these fully renewable plant-based monomer mixtures have been synthesized using a miniemulsion process. The combination of aliphatic fatty acid fragments of HOSBM with aromatic CBM structure led to the formation of durable latexes from fully renewable feeds as well as the ability of the resulting cross-linked latex films to balance thermomechanical properties. Biobased latexes were synthesized from 10 to 75 wt % of CBM and 25–90 wt % of HOSBM in the feed, characterized, and tested in films and coatings performances. The synergistic effects of both the constituents in the films and coatings were observed. The incorporation of cardanol-based fragments enhances the Young’s modulus of the films, whereas the plant oil-based units contribute to softer and more flexible films. Even small (10 wt %) fractions of CBM can provide noticeable strength to the soft latex polymer material based entirely on HOSBM. All cross-linked latex films in this study exhibit decent properties and performance in terms of pendulum and pencil hardness, water and solvent resistance, as well as adhesion to the steel substrate. To the best of our knowledge, latexes from fully renewable plant-based monomer mixtures have not been reported before in literature.
Published: 2019

14. Covalent and Selective Grafting of Polyethylene Glycol Brushes at the Surface of ZIF-8 for the Processing of Membranes for Pervaporation

Author: Thomas Berthelot, Elena Bellido, Florent Carn, Patricia Horcajada, Rocio Semino, Nicolas Menguy, Maria E. Dmitrenko, Guillaume Maurin, Denis Roizard, Sérgio R. Tavares, Marvin Benzaqui, Christian Serre, Nathalie Steunou, Anastasia V. Penkova, Mónica Giménez-Marqués, Anna I. Kuzminova, Institut Lavoisier de Versailles (ILV), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut des Matériaux Poreux de Paris (IMAP ), Département de Chimie - ENS Paris, École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-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), Matière et Systèmes Complexes (MSC), Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS), Instituto IMDEA Energía, Laboratoire Innovation en Chimie des Surfaces et NanoSciences (LICSEN UMR 3685), Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M) (NIMBE UMR 3685), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Service de Physique et de Chimie des Surfaces et Interfaces (SPCSI), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Saint Petersburg University (SPBU), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), ANR-10-LABX-0035,Nano-Saclay,Paris-Saclay multidisciplinary Nano-Lab(2010), European Project: 608490,EC:FP7:ENERGY,FP7-ENERGY-2013-1,M4CO2(2014), École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Matière et Systèmes Complexes (MSC (UMR_7057)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7), Laboratoire Innovation en Chimie des Surfaces et NanoSciences (LICSEN), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), 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 Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Muséum national d'Histoire naturelle (MNHN)-Centre National de la Recherche Scientifique (CNRS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Centre National de la Recherche Scientifique (CNRS), Institut des Matériaux Poreux de Paris (IMAP UMR8004 FRE2000), École normale supérieure - Paris (ENS Paris)-École normale supérieure - Paris (ENS Paris)-ESPCI ParisTech-Centre National de la Recherche Scientifique (CNRS), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS)-Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC), Instituto IMDEA Energy, Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), and ANR: NanoSaclay,ANR-10-LABX-0035
Subjects: Vinyl alcohol, Materials science, Poly(vinyl alcohol), General Chemical Engineering, Nanoparticle, 02 engineering and technology, Polyethylene glycol, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, Pervaporation, Surface modification, Dynamic light scattering, Environmental Chemistry, Membranes, Renewable Energy, Sustainability and the Environment, technology, industry, and agriculture, [CHIM.MATE]Chemical Sciences/Material chemistry, General Chemistry, 021001 nanoscience & nanotechnology, MOFs, 0104 chemical sciences, Membrane, chemistry, Chemical engineering, Membranes, MOFs, Pervaporation, Poly(vinyl alcohol), Surface modification, 0210 nano-technology, Zeolitic imidazolate framework
Abstract: International audience; The so-called Graftfast reaction in water and at room temperature (RT) was applied to graft polyethylene glycol (PEG) at the surface of the microporous zeolitic imidazolate framework ZIF-8 nanoparticles (NPs) using acrylPEG of different chain lengths (480 Da and 5 kDa). In comparison to non-modified ZIF-8 NPs, both chemical and colloidal stabilities of PEGylated ZIF-8 NPs are significantly enhanced in water. A series of colloidal complex fluids by mixing PEG grafted ZIF-8 (i. e. PEG-g-ZIF-8) NPs with different amounts of polyvinylalcohol (PVA) was prepared and characterized by advanced characterization tools such as dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS) thereby showing their long-term colloidal stability. Finally, dense and supported mixed matrix membranes were cast from PEG-g-ZIF-8/PVA solutions and have shown high performance in isopropanol (IPA) dehydration by pervaporation. The permeation flux of the supported MMM (i. e. 0.091 kg/(m$^2$h) is eleven times higher than that of the pure PVA membrane and these MMMs present a high separation factor (i. e. 7326). These transport properties are presumably due to the molecular sieving effects induced by ZIF-8 and the good interfacial properties of the membrane. The computational exploration of the ZIF-8/PVA and PEG/PVA interfaces provides a microscopic scale explanation for the enhanced compatibility of PVA with the PEGylated MOF when compared to that for the composite based on the bare ZIF-8 as a filler.
Published: 2019

15. Separation of scales: Dynamical approximations for complex quantum systems

Author: Irene Burghardt, Caroline Lasser, Benjamin Lasorne, Clotilde Fermanian Kammerer, Rémi Carles, Institute of Physical and Theoretical Chemistry [Frankfurt am Main], Goethe-Universität Frankfurt am Main, Institut de Recherche Mathématique de Rennes (IRMAR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-AGROCAMPUS OUEST, 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 des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-École normale supérieure - Rennes (ENS Rennes)-Université de Rennes 2 (UR2), Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Analyse et Mathématiques Appliquées (LAMA), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université Gustave Eiffel, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 2 - Sciences et Techniques (UM2)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Zentrum Mathematik, M5 Technische Universität München, CNRS 80|prime, Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)-INSTITUT AGRO Agrocampus Ouest, 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 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), Zentrum Mathematik, Technische Universität München, Technische Universität Munchen - Université Technique de Munich [Munich, Allemagne] (TUM), AGROCAMPUS OUEST, 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)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Université de Rennes 2 (UR2), Université de Rennes (UNIV-RENNES)-École normale supérieure - Rennes (ENS Rennes)-Centre National de la Recherche Scientifique (CNRS)-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), 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), Technische Universität München [München] (TUM), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-École normale supérieure - Rennes (ENS Rennes)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-INSTITUT AGRO Agrocampus Ouest, and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Statistics and Probability, FOS: Physical sciences, General Physics and Astronomy, Context (language use), 01 natural sciences, symbols.namesake, Mathematics - Analysis of PDEs, [MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph], Physics - Chemical Physics, 0103 physical sciences, FOS: Mathematics, Taylor series, [MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP], Statistical physics, 010306 general physics, 10. No inequality, Wave function, Mathematical Physics, Mathematics, Ansatz, Chemical Physics (physics.chem-ph), Collocation, 010304 chemical physics, Statistical and Nonlinear Physics, Observable, Mathematical Physics (math-ph), Function (mathematics), Action (physics), ddc, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Modeling and Simulation, symbols, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Analysis of PDEs (math.AP)
Abstract: We consider composite quantum-dynamical systems that can be partitioned into weakly interacting subsystems, similar to system-bath type situations. Using a factorized wave function ansatz, we mathematically characterize dynamical scale separation.Specifically, we investigate a coupling r{\'e}gime that is partially flat, i.e., slowly varying with respect to one set of variables, for example, those of the bath. Further, we study the situation where one of the sets of variables is semiclassically scaled and derive a quantum-classical formulation. In both situations, we propose two schemes of dimension reduction: one based on Taylor expansion (collocation) and the other one based on partial averaging (mean-field). We analyze the error for the wave function and for the action of observables, obtaining comparable estimates for both approaches. The present study is the first step towards a general analysis of scale separation in the context of tensorized wavefunction representations., Comment: Title changed, Section 3.3 reorganized, new Section 6 (numerical example)
Published: 2021

16. The Mechanochemical Beckmann Rearrangement: An Eco-efficient 'Cut-and-Paste' Strategy to Design the 'Good Old Amide Bond'

Author: Andrea Porcheddu, Lidia De Luca, Evelina Colacino, Rita Mocci, Francesco Delogu, Claudia Fattuoni, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Universita degli Studi di Cagliari [Cagliari], Dipartimento di Scienze Chimiche e Geologiche Centro Grandi Strumenti and INSTM unit, Università di Cagliari, Dipartimento di Ingegneria Meccanica, and 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)
Subjects: Green chemistry, Renewable Energy, Sustainability and the Environment, General Chemical Engineering, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Oxime, 01 natural sciences, 12. Responsible consumption, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Mechanochemistry, Amide, Beckmann rearrangement, Green metrics, Environmental Chemistry, Organic chemistry, Peptide bond, [CHIM]Chemical Sciences, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract: Discovered over a century ago, Beckmann rearrangement is still today fully compliant with all the green chemistry principles and consistent with the key aspects of sustainable development. Herein, ...
Published: 2021

17. Synthesis and Properties of Furan Derivatives for Epoxy Resins

Author: Bernard Boutevin, Nadim Eid, Bruno Ameduri, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), and 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)
Subjects: Bisphenol A, 5-hydroxymethyl furfural, General Chemical Engineering, furan, 02 engineering and technology, Raw material, 010402 general chemistry, Furfural, 01 natural sciences, 7. Clean energy, epoxy, chemistry.chemical_compound, Furan, Environmental Chemistry, Organic chemistry, Hydroxymethyl, Cellulose, chemistry.chemical_classification, thermosets, biomass, Renewable Energy, Sustainability and the Environment, General Chemistry, Polymer, Epoxy, 021001 nanoscience & nanotechnology, 0104 chemical sciences, 5-furandicarboxylic acid, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, 13. Climate action, visual_art, telechelic, visual_art.visual_art_medium, 0210 nano-technology
Abstract: International audience; The discovery of huge petroleum reserves in the 19th century was a golden opportunity that promoted the industrial revolution, by offering a wide variety of cheap raw materials and a reliable source of energy. This caused an unprecedented increase of commodity and production of specialty chemicals in order to fulfill the needs of the global markets. However, as the global warming and the environmental issues has become a hazardous and worried situation, researchers are looking for bio renewable monomers with low toxicity in order to produce more sustainable polymers. This policy was also applied to epoxy resin materials because of their high volume production in industry for a wide range of applications. This review highlights the recent advances in the preparation of diamines and diepoxy monomers for the synthesis of epoxy resins, mainly from 2-furfural, 5-(hydroxymethyl)furfural (5-HMF), and 2,5-furandicarboxylic acid (FDCA), obtained from natural cellulose and hemicellulose feedstocks, respectively, and able to replace phthalic moieties in polyethylene terephthalate. In addition, the processes involved in the monomers preparation, such as reductive amination, etherification, esterification and carbonatation are listed. This review, reporting quasi-exhaustive synthetic pathways of epoxy precursors containing furanic moieties and describing the resulting resins, is composed of seven main parts, based on the synthesis of glycidyl derivatives containing one or two or four furan nuclei bearing or not a spacer between the furan ring and the function. The influence of the substituents on furan moieties (O, CO, CH 2) and the spacer between these groups have also been evaluated. Finally, thermal and a few mechanical properties of the obtained bio-sourced epoxy resins were compared to their fossil fuel analogues (from bisphenol A), featuring the high potential of bio-based monomers as substituents for non-renewable ones.
Published: 2021

18. Stability and Lattice Dynamics of Ruddlesden–Popper Tetragonal Sr 2 TiO 4

Author: B. Fraisse, Patrick Hermet, Romain Viennois, Denis Machon, David Maurin, Alexander Paul Petrović, Michael Marek Koza, David Bourgogne, 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), (nano)Matériaux pour l'énergie (ENERGIE), Institut Lumière Matière [Villeurbanne] (ILM), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, Laboratoire Nanotechnologies et Nanosystèmes [Sherbrooke] (LN2), Université de Sherbrooke (UdeS)-École Centrale de Lyon (ECL), Université de Lyon-Université de Lyon-École supérieure de Chimie Physique Electronique de Lyon (CPE)-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), Institut Interdisciplinaire d'Innovation Technologique [Sherbrooke] (3IT), Université de Sherbrooke (UdeS), Institut Laue-Langevin (ILL), ILL, Department of Quantum Matter Physics [Geneva] (DQMP), University of Geneva [Switzerland], Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)
Subjects: Bulk modulus, Materials science, Condensed matter physics, Anharmonicity, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Heat capacity, Thermal expansion, Inelastic neutron scattering, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Tetragonal crystal system, symbols.namesake, General Energy, symbols, Physical and Theoretical Chemistry, Perturbation theory, 0210 nano-technology, Raman scattering
Abstract: International audience; We report a combined experimental and theoretical lattice dynamics study of the Ruddlesden–Popper layered compound Sr2TiO4. From inelastic neutron scattering experiments, we derive the generalized phonon density of states of Sr2TiO4. We also report its heat capacity, thermal expansion, and thermodynamic Grüneisen parameters using the calculated bulk modulus and find a large value of about 2. Using Raman scattering experiments under pressure, we discuss a potential structural distortion of the tetragonal structure above 11 GPa, which could be due to nonhydrostatic compression. The mode Grüneisen parameters of the four Raman-active modes are determined and shown to be in reasonable agreement with those obtained by density functional perturbation theory (DFPT) calculations. The temperature behavior of the Raman-active modes was studied, allowing us to determine the implicit volume and explicit anharmonic contributions. Above 400 K, the implicit volume contribution dominates the temperature-induced variation of the four Raman-active modes, whereas, below this temperature, the explicit anharmonic contribution is the dominant contributor to the highest energy mode. Our results underline the importance of anharmonicity in vibration-related properties of Sr2TiO4.
Published: 2020

19. Phosphorylated Micro- and Nanocellulose-Filled Chitosan Nanocomposites as Fully Sustainable, Biologically Active Bioplastics

Author: Mohammed Lahcini, Sara Blilid, Katarzyna Milowska, Emmanuel Belamie, Maria Bryszewska, Mounir El Achaby, Katarzyna Lisowska, Natalia Wrońska, Marta Kędzierska, Bruno Alonso, Nadia Katir, Abdelkrim El Kadib, Department of General Biophysics, Faculty of Biology and Environmental Protection, University of Lodz, University of Lódź, Department of Industrial Microbiology and Biotechnology, Faculty of Biology and Environmental Protection, University of Lodz, Materials Science and Nanoengineering (MSN) Department, Université Mohammed VI Polytechnique, Euromed Research Center. Engineering Division [Fès], Université Euro Méditerranéenne de Fès (UEMF), École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Université Cadi Ayyad [Marrakech] (UCA), and 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)
Subjects: Materials science, Nanocomposite, Renewable Energy, Sustainability and the Environment, General Chemical Engineering, Nanotechnology, General Chemistry, Bioplastic, Nanomaterials, Nanocellulose, Chitosan, chemistry.chemical_compound, chemistry, Environmental Chemistry, [CHIM]Chemical Sciences, Cellulose, ComputingMilieux_MISCELLANEOUS
Abstract: Controlled cellulose fragmentation and its downsizing to micro- and nanocrystals have recently captured tremendous attention to access sustainable nanomaterials. Hitherto, few functionalized cellul...
Published: 2020

20. Removal of biogenic amines from wines by chemisorption on functionalized silica and effects on other wine components

Author: Rodríguez-Bencomo, Juan José, Rigou, Peggy, Mattivi, Fulvio, López, Francisco, Mehdi, Ahmad, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Joint Research Unit CTFC – AGROTECNIO, Solsona, Spain, Sciences Pour l'Oenologie (SPO), Université de Montpellier (UM)-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 Trento [Trento], Universitat Rovira i Virgili, European Project: 701912,H2020,H2020-MSCA-IF-2015,AMINE_REMOVAL(2016), 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), Université de Montpellier (UM)-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: Biogenic Amines, spermine, Food Handling, Spermidine, polyamines, [SDV]Life Sciences [q-bio], lcsh:Medicine, Wine, macroporous xerogel, mesoporous xerogel, Biochemistry, Article, volatile organic compounds, Cadaverine, spermidine, Putrescine, putrescine, wine, lcsh:Science, cadaverine, lcsh:R, digestive, oral, and skin physiology, food and beverages, [CHIM.MATE]Chemical Sciences/Material chemistry, Silicon Dioxide, histamine, Chemical safety, wine, polyamines, histamine, putrescine, Spermine, lcsh:Q, Adsorption, Analytical chemistry, Histamine
Abstract: International audience; The effectiveness of several functionalized silica materials (cation-exchange materials) for the removal of biogenic amines from wines, and the effects on other wine components and organoleptic characteristics were evaluated. Results have shown that mesoporous silica material bi-functionalized with phosphonic and sulfonic acids allowed the removal of histamine, putrescine, cadaverine, spermine and spermidine from wines, although the dose must be adapted for each wine according to the removal requirements and wine characteristics. A plus of the adsorbent developed is that it can be recovered and re-used for at least 3 treatments. Immediately following the treatments, a decrease in the levels of linear ethyl esters (ethyl hexanoate, ethyl octanoate and ethyl decanoate) was observed, although these levels were re-equilibrated after several days reducing this undesired side effect. A slight, but perceptible, effect on wine color was observed, probably due to the slight decrease in the pH of the wine produced by the treatments. On the basis of the sensory analysis that focused only on the aroma of the wines, the proposed technique would be more adequate for wines aged in barrels than for young wines.
Published: 2020

21. Towards valorizing natural coals in sodium-ion batteries: impact of coal rank on energy storage

Author: Abou-Rjeily, John, Laziz, Noureddine Ait, Autret-Lambert, Cecile, Outzourhit, Abdelkader, Sougrati, Moulay-Tahar, Ghamouss, Fouad, GREMAN (matériaux, microélectronique, acoustique et nanotechnologies) (GREMAN - UMR 7347), Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours-Centre National de la Recherche Scientifique (CNRS), 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), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Chemistry, Energy science and technology, lcsh:R, lcsh:Medicine, [CHIM]Chemical Sciences, lcsh:Q, lcsh:Science, Article, Materials science, ComputingMilieux_MISCELLANEOUS
Abstract: Coal samples of different ranks were investigated through various compositional, morphological/structural, and textural experiments prior to their electrochemical implementation in Na-ion half-cells. The purity of coals proved insignificant while distinctions in the flake size, pore width, pore distribution, ID/IG ratio, crystallite parameters (La and Lc) along with adjacent parameters, such as the R-empirical parameter, i.e., limited parallel graphene stacking proved more relevant for Na+ storage into the negative host electrodes. Coal powders were identified via a two-step TGA analysis technique displaying the overall carbon content of the coals and the impurities. Coal-based anode materials were prepared from raw and pyrolyzed coals (at 800 °C under argon gas-flow) and cycled in Na-ion half-cells to further investigate the impact of the coal rank on the energetic properties. High volatile bituminous coal with lower graphene stacking and augmented nanoscopic pores delivered higher reversible capacity in comparison with semi-anthracite coal, whether in their raw (67 vs. 54 mAh/g) or pyrolyzed (214 vs. 64 mAh/g) states, respectively vs. Na/Na+. The dominance of HVBC over SAC due to enhanced properties as R-empirical parameter, ID/IG ratio, and internal porosity. This study provides an exhaustive methodology to assess other carbonaceous anode materials further to evaluate their energy storage capabilities.
Published: 2020

22. Direct 17 O-isotopic labeling of oxides using mechanochemistry

Author: Danielle Laurencin, Thomas-Xavier Métro, Emeline Gaillard, Philippe Gaveau, Christian Bonhomme, Bertrand Rebiere, Mark E. Smith, Frederic Mentink-Vigier, Pierre Florian, Kuizhi Chen, Chia-Hsin Chen, Zhehong Gan, Romain Berthelot, Bruno Alonso, 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), National High Magnetic Field Laboratory (NHMFL), Florida State University [Tallahassee] (FSU), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), University of Southampton (University of Southampton), Institut des Biomolécules Max Mousseron [Pôle Chimie Balard] (IBMM), 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), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Spectroscopie, Modélisation, Interfaces pour L'Environnement et la Santé (LCMCP-SMiLES), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), University of Southampton, Lancaster University, Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), ERC, European Project: 772204,MISOTOP, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), and Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: enrichment, ball-milling, Oxide, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 01 natural sciences, Inorganic Chemistry, Isotopic labeling, chemistry.chemical_compound, Computational chemistry, Mechanochemistry, Reactivity (chemistry), Physical and Theoretical Chemistry, Polarization (electrochemistry), isotopic labeling, Oxygen-17, 010405 organic chemistry, Chemistry, Analytical technique, [CHIM.MATE]Chemical Sciences/Material chemistry, NMR, 0104 chemical sciences, Solid-state nuclear magnetic resonance, DNP, mechanochemistry
Abstract: While oxygen-17 NMR is increasingly being used for elucidating the structure and reactivity of complex molecular and materials systems, much effort is still required for it to become a routine analytical technique. One of the main difficulties for its development comes from the very low natural abundance of oxygen-17, which implies that isotopic labeling is generally needed prior to NMR analyses. However, 17O-enrichment protocols are often unattractive in terms of cost, safety, and/or practicality, even for compounds as simple as metal oxides. Here, we demonstrate how mechanochemistry can be used in a highly efficient way for the direct 17O-isotopic labeling of a variety of s-, p- and d-block oxides which are of major interest for the preparation of functional ceramics and glasses: Li2O, CaO, Al2O3, SiO2, TiO2, and ZrO2. For each oxide, the enrichment step was performed under ambient conditions in less than 1 hour and at low cost, which makes these synthetic approaches highly appealing in comparison to the existing literature. Using high-resolution 17O solid state NMR and Dynamic Nuclear Polarization, atomic-level insight into the enrichment process is achieved, especially for titania and alumina. Indeed, it was possible to demonstrate that enriched oxygen sites are present not only at the surface, but also within the oxide particles. Moreover, information on the actual reactions occurring during the milling step could be obtained by 17O NMR, both in terms of their kinetics and the nature of the reactive species. Finally, it was demonstrated how high resolution 17O NMR can be used for studying the reactivity at the interfaces between different oxide particles during ball-milling, especially in cases when X-ray diffraction techniques are uninformative. More generally, such investigations will be useful not only for producing 17O-enriched precursors efficiently, but also for understanding better mechanisms of mechanochemical processes themselves.; While oxygen-17 NMR is increasingly being used for elucidating the structure and reactivity of complex molecular and materials systems, much effort is still required for it to become a routine analytical technique. One of the main difficulties for its development comes from the very low natural abundance of oxygen-17, which implies that isotopic labeling is generally needed prior to NMR analyses. However, 17O-enrichment protocols are often unattractive in terms of cost, safety, and/or practicality, even for compounds as simple as metal oxides. Here, we demonstrate how mechanochemistry can be used in a highly efficient way for the direct 17O-isotopic labeling of a variety of s-, p- and d-block oxides which are of major interest for the preparation of functional ceramics and glasses: Li2O, CaO, Al2O3, SiO2, TiO2, and ZrO2. For each oxide, the enrichment step was performed under ambient conditions in less than 1 hour and at low cost, which makes these synthetic approaches highly appealing in comparison to the existing literature. Using high-resolution 17O solid state NMR and Dynamic Nuclear Polarization, atomic-level insight into the enrichment process is achieved, especially for titania and alumina. Indeed, it was possible to demonstrate that enriched oxygen sites are present not only at the surface, but also within the oxide particles. Moreover, information on the actual reactions occurring during the milling step could be obtained by 17O NMR, both in terms of their kinetics and the nature of the reactive species. Finally, it was demonstrated how high resolution 17O NMR can be used for studying the reactivity at the interfaces between different oxide particles during ball-milling, especially in cases when X-ray diffraction techniques are uninformative. More generally, such investigations will be useful not only for producing 17O-enriched precursors efficiently, but also for understanding better mechanisms of mechanochemical processes themselves.
Published: 2020

23. Solvent-Free, Continuous Synthesis of Hydrazone-Based Active Pharmaceutical Ingredients by Twin-Screw Extrusion

Author: Evelina Colacino, Francesco Delogu, Deborah E. Crawford, Andrea Porcheddu, Stuart L. James, Aaron S. McCalmont, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), and 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)
Subjects: Green chemistry, General Chemical Engineering, Hydantoin, Hydrazone, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, General chemistry, Mechanochemistry, Environmental Chemistry, Organic chemistry, [CHIM]Chemical Sciences, SDG 7 - Affordable and Clean Energy, ComputingMilieux_MISCELLANEOUS, Active ingredient, chemistry.chemical_classification, Renewable Energy, Sustainability and the Environment, Chemistry, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Solvent, Extrusion, 0210 nano-technology
Abstract: Twin-screw extrusion (TSE) was used to synthesize hydantoin-based active pharmaceutical ingredients (APIs) such as nitrofurantoin and dantrolene, employing minimal or no solvent. Postsynthetic workup was not required. This work demonstrates that solvent-free synthesis can be conducted in a continuous manner for pharmaceutical products.
Published: 2020

24. Atomic Layer Fluorination of 5 V Class Positive Electrode Material LiCoPO 4 for Enhanced Electrochemical Performance

Author: Katia Guérin, Robert Armstrong, Eun Jeong Kim, Marc Dubois, Hervé Martinez, Delphine Flahaut, Michaël Deschamps, David Noel Miller, Nicolas Louvain, Youn Charles-Blin, Laure Monconduit, John T. S. Irvine, Sanghoon Kim, 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 Clermont-Ferrand (ICCF), SIGMA Clermont (SIGMA Clermont)-Institut de Chimie du CNRS (INC)-Université Clermont Auvergne [2017-2020] (UCA [2017-2020])-Centre National de la Recherche Scientifique (CNRS), Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux (IPREM), Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), University of St Andrews [Scotland], 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), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Pau et des Pays de l'Adour (UPPA), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), 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), EPSRC, University of St Andrews. School of Chemistry, University of St Andrews. Centre for Designer Quantum Materials, and University of St Andrews. EaSTCHEM
Subjects: X-ray photoelectron spectroscopy, Materials science, NDAS, Energy Engineering and Power Technology, 02 engineering and technology, 010402 general chemistry, Electrochemistry, 7. Clean energy, 01 natural sciences, Fluorination, Lithium-ion battery, [CHIM]Chemical Sciences, QD, SDG 7 - Affordable and Clean Energy, Electrical and Electronic Engineering, Electrode material, Network on, X-ray photoelectron spectroscopy (XPS), QD Chemistry, 021001 nanoscience & nanotechnology, Engineering physics, fluorination, 0104 chemical sciences, LCP, 0210 nano-technology, lithium ion battery, Electrochemical energy storage
Abstract: EJK would like to thank the Alistore ERI for the award of a studentship. The authors thank EPSRC Capital for Great Technologies Grant EP/L017008/1. The authors want to thank the French Research Network on the Electrochemical Energy Storage (RS2E) for YCB’s PhD grant. MD and NL are indebted to the IR-RMN-THC FR3050 CNRS for the spectrometer time access and the financial support of the NMR experiments. The surface fluorination of lithium cobalt phosphate (LiCoPO4, LCP) using a one‐step, room temperature processable, easily up‐scalable and dry surface modification method with XeF2 as fluorine source was developed. After fluorination, fluorine‐rich nanoparticles were observed mainly on the particle surface, which facilitates the improvement of surface stability and electrochemical performance such as cycling stability and rate capability, as the fluorinated LCP can be protected against side reactions with electrolyte or by‐products of electrolyte decomposition at high voltage (5 V). More importantly, the direct surface fluorination proved more efficient than adding a fluorinated electrolyte additive (i. e., FEC). These results suggest that surface fluorination using XeF2 is of great promise for practical applications of high voltage positive materials for lithium‐ion batteries. Postprint
Published: 2020

25. Production of formate from CO 2 gas under ambient conditions: towards flow-through enzyme reactors

Author: Kenji Kano, Jullien Drone, Ahmad Mehdi, Anne Galarneau, Kento Sakai, Nicolas Brun, Alexandra Lamotte, Mohamed Baccour, Eric Dubreucq, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Kyoto University [Kyoto], Ingénierie des Agro-polymères et Technologies Émergentes (UMR IATE), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université de Montpellier (UM)-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), Institut Carnot Chimie Balard and LabEx Agro (408-15AC3), and LabEx Agro (408-15AC3) and French
Subjects: biology, Inorganic chemistry, Side reaction, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, Nicotinamide adenine dinucleotide, 010402 general chemistry, 021001 nanoscience & nanotechnology, biology.organism_classification, Formate dehydrogenase, 01 natural sciences, Pollution, Cofactor, 0104 chemical sciences, Pseudomonas stutzeri, chemistry.chemical_compound, chemistry, Yield (chemistry), [SDV.IDA]Life Sciences [q-bio]/Food engineering, biology.protein, Environmental Chemistry, Formate, Methylobacterium extorquens, 0210 nano-technology
Abstract: International audience; A flow-through bi-enzymatic reactor was developed to produce formate from carbon dioxide gas (CO2). The reaction operates under ambient conditions without hydrogen gas (H2) and involves a high performance formate dehydrogenase from Methylobacterium extorquens AM1 (MeFoDH1). The tandem reaction features in situ regeneration of the nicotinamide adenine dinucleotide (1,4-NADH) cofactor performed by a highly active mutant of the phosphite dehydrogenase from Pseudomonas stutzeri, without any side reaction. One of the highest turnover numbers reported to date in the literature was reached (6700) giving a high space-time yield of 0.6 mmolformate min-1 L-1reactor
Published: 2020

26. Anisotropic low-energy vibrational modes as an effect of cage geometry in the binary barium silicon clathrate Ba24Si100

Author: Viennois, Romain, Koza, Michael Marek, Debord, Régis, Toulemonde, Pierre, Mutka, Hannu, Pailhes, Stéphane, 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), Institut Laue-Langevin (ILL), ILL, (nano)Matériaux pour l'énergie (ENERGIE), Institut Lumière Matière [Villeurbanne] (ILM), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, Matériaux, Rayonnements, Structure (MRS), Institut Néel (NEEL), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)
Subjects: [CHIM.MATE]Chemical Sciences/Material chemistry
Abstract: International audience; The low lattice thermal conductivity in inorganic clathrates has been shown recently to be related to the low-energy range of optical phonons dominated by motions of guest atoms trapped in a network of host covalent cages. A promising route to further reduce the heat conduction, and increase the material efficiency for thermoelectric heat waste conversion, is then to lower the energy of these guest-weighted optical phonons. In the present work, the effect of the host cage geometry is explored. The lattice dynamics of the binary type-IX clathrate, Ba24Si100, has been investigated experimentally by means of inelastic neutron scattering as a function of temperature between 5 K and 280 K, and computed by ab-initio density functional techniques. It is compared with the lattice dynamics of Ba8Si46, the simplest representative of the well-known type-I clathrate structure. The binary Ba8Si46 and Ba24Si100 materials have both a cubic unit cell made of different Si cages. The energies, the degree of anharmonicity as well as the anisotropy of the optical phonon modes weighted by Ba motions are found to depend strongly on 2 the size and shape of the cages. The lowest optical phonon energies in Ba24Si100 are found around 2.5-4 meV, while those in Ba8Si46 have higher energies around 7-9 meV. The low-lying optical phonons in Ba24Si100 are mainly weighted by the motion of Ba in the opened Si20 cage, which doesn't exist in Ba8Si46. Moreover, the Ba vibrations within the opened Si20 cages are found intrinsically anisotropic, strongly dispersionless in some directions and exhibit a significant anharmonicity, which is not observed for any optical phonon modes in Ba8Si46.
Published: 2020

27. Smectite quantification in hydrothermally altered volcanic rocks

Author: Thráinn Fridriksson, Nicolas Marino, Bernard Fraisse, Bruno Lanson, Benoit Gibert, Nathaniel Findling, Léa Lévy, Laboratoire de géologie de l'ENS (LGENS), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Département des Géosciences - ENS Paris, École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL), Nordic Volcanological Center, Institute of Earth Sciences, University of Iceland, 101 Reykjavík, Iceland, ÍSOR - Iceland GeoSurvey, Reykjavík, Iceland, Institut des Sciences de la Terre (ISTerre), Institut national des sciences de l'Univers (INSU - CNRS)-Institut de recherche pour le développement [IRD] : UR219-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Gustave Eiffel-Université Grenoble Alpes (UGA), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Géosciences Montpellier, Institut national des sciences de l'Univers (INSU - CNRS)-Université de Montpellier (UM)-Université des Antilles (UA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Géologie, Ecole Normale Supérieure, Paris Sciences et Lettres, CNRS, Paris, France, 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 géologie de l'ENS (LGE), Institut national des sciences de l'Univers (INSU - CNRS)-Institut de recherche pour le développement [IRD] : UR219-Université Grenoble Alpes (UGA)-Université Gustave Eiffel-Centre National de la Recherche Scientifique (CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry]), 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), Université des Antilles et de la Guyane (UAG)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), University of Iceland [Reykjavik], 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), and Institut national des sciences de l'Univers (INSU - CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Université des Antilles (UA)
Subjects: 0211 other engineering and technologies, Mineralogy, [SDU.STU]Sciences of the Universe [physics]/Earth Sciences, Fraction (chemistry), 02 engineering and technology, 010502 geochemistry & geophysics, 01 natural sciences, Hydrothermal circulation, Electrical resistivity and conductivity, Cation-exchange capacity, 021108 energy, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, [SDU.STU.AG]Sciences of the Universe [physics]/Earth Sciences/Applied geology, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, geography, geography.geographical_feature_category, Renewable Energy, Sustainability and the Environment, Chemistry, Geology, Geotechnical Engineering and Engineering Geology, Volcanic rock, Volcano, Clay minerals, Mass fraction, [SDU.STU.MI]Sciences of the Universe [physics]/Earth Sciences/Mineralogy
Abstract: International audience; In volcanic environments, the presence of smectite may indicate recent hydrothermal circulations. Smectite is also responsible for enhanced rock electrical conductivity, as well as mechanical weakening. Therefore, 1 quantifying smectite is important in geothermal exploration. Smectite identification requires X-ray diffraction (XRD) but quantification based on XRD is time-consuming and not always accurate. In the present study, we investigate the use of an optimized unbuffered Cation Exchange Capacity (CEC) measurement, by back-titration of the Coppertriethylenetetramine(II) "Cu-trien" molecule, to quantify the smectite content of altered volcanic rock samples. We establish that a satisfying trade-off between the instrument uncertainty and an independant systematic error is theoretically reached for a fraction of reactants consumed of about 30% at the end of the exchange reaction. We suggest a modification to classical protocols to fall in that range. Finally, we show that optimized CEC measurements by Cu-trien are a direct measure of the smectite weight fraction in altered volcanic samples, with an average CEC of pure smectite of 90 ± 5 meq/100g.
Published: 2020

28. Enhancing the Recyclability of a Vegetable Oil-Based Epoxy Thermoset through Initiator Influence

Author: Alice Mija, Chiara Di Mauro, Thi-Nguyet Tran, Alain Graillot, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and 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)
Subjects: Bisphenol, General Chemical Engineering, Epoxidized linseed oil, Thermosetting polymer, Epoxide, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, Recyclability, Environmental Chemistry, Organic chemistry, [CHIM]Chemical Sciences, Renewable Energy, Sustainability and the Environment, General Chemistry, Epoxy, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Vegetable oil, chemistry, visual_art, Dynamic Hardener / Recyclability, visual_art.visual_art_medium, Disulfide exchange reaction, Dynamic hardener, 0210 nano-technology, Transesterification reaction
Abstract: International audience; Bisphenol A based epoxy thermosets involve both environmental and health risks. By reacting a vegetal oil-based epoxide with an aromatic diacid containing S-S bonds a thermoset is produced. Herein, reprocessable thermosets were synthesized, the recyclability being designed through a dual mechanism: that of disulfide metathesis and of transesterifications. To assess the feasibility of the reprocessing, a series of ten initiators were tested to probe their effect not only on the crosslinking reaction but also on the recyclability. This study introduces for the first time the key role of the initiator on the material performances and on their reprocessing. A very good reprocessability was obtained for thermosets prepared using as initiator the imidazole. Moreover, the thermosets exhibit complete chemical recyclability in 1N NaOH at 80 °C, after 3 days, without needing additional chemicals. The reprocessed materials have similar performances with the virgin ones, even after 10 cycles of reprocessing.
Published: 2020

29. Stripe Discommensuration and Spin Dynamics of Half-Doped Pr 3 / 2 Sr 1 / 2 NiO 4

Author: Maity, Avishek, Dutta, Rajesh, Paulus, Werner, Institut für Physikalische Chemie [Göttingen], Georg-August-University [Göttingen], Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität Munchen - Université Technique de Munich [Munich, Allemagne] (TUM), Institut für Kristallographie, Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Jülich Centre for Neutron Science (JCNS), Forschungszentrum Jülich GmbH | Centre de recherche de Juliers, Helmholtz-Gemeinschaft = Helmholtz Association-Helmholtz-Gemeinschaft = Helmholtz Association, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: [PHYS]Physics [physics], Condensed Matter::Strongly Correlated Electrons, ddc:530, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], [PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el], ComputingMilieux_MISCELLANEOUS
Abstract: We present inelastic neutron scattering measurements of magnetic excitations in stripe ordered Pr_{3/2}Sr_{1/2}NiO_{4} at T∼10 K. For the observed magnetic incommensurability ε=0.4, we have incorporated a stripe discommensuration model in our linear spin wave calculation and obtained best agreement with the measured spin wave dispersion, especially to explain the symmetrical outward shift of the magnetic peaks from Néel ordered zone center in energy range 35 to 45 meV. Our study indicates the prerequisite to consider a discommensurated spin stripe unit with proper out-of-plane and in-plane exchange interactions in between Ni^{2+} spins to describe the observed spin wave characteristics in Pr_{3/2}Sr_{1/2}NiO_{4}.
Published: 2020

30. High-rate cyclability and stability of LiMn2O4 cathode materials for lithium-ion batteries from low-cost natural β−MnO2

Author: Fouad Ghamouss, Cécile Autret-Lambert, John Abou-Rjeily, Noureddine Ait Laziz, Ilham Bezza, Moulay Tahar Sougrati, Physico-chimie des Matériaux et des Electrolytes pour l'Energie (PCM2E), Université de Tours, GREMAN (matériaux, microélectronique, acoustique et nanotechnologies) (GREMAN - UMR 7347), Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours-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 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 Tours (UT), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Université de Tours (UT)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-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), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), and 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)
Subjects: Materials science, Energy Engineering and Power Technology, chemistry.chemical_element, 02 engineering and technology, Electrolyte, Manganese, engineering.material, 010402 general chemistry, 01 natural sciences, 7. Clean energy, law.invention, law, [CHIM]Chemical Sciences, General Materials Science, Calcination, ComputingMilieux_MISCELLANEOUS, Pyrolusite, Renewable Energy, Sustainability and the Environment, Spinel, 021001 nanoscience & nanotechnology, Cathode, 0104 chemical sciences, chemistry, Chemical engineering, engineering, Lithium, 0210 nano-technology, Capacity loss
Abstract: The implementation of spinel LiMn2O4 in lithium-ion batteries has been long established commercially and well-reported academically. Nowadays, most commercial spinel LiMn2O4 electrodes are synthesized by electrolytic manganese dioxide (EMD) precursors. However, using earth-abundant and inexpensive pyrolusite (β-MnO2) as reported in this work, offers several advantages. The synthesis of spinel LiMn2O4 using β-MnO2 precursors by solid-state reaction followed by thermal calcination under air generated micro rod-like lithium impregnated powders. Examining the electrochemical performance of these active materials upon Li-ion intercalation registered an initial specific discharge capacity of 95 mA h g-1. The synthesized cathode material was able to cycle at high rates (up to 9C) while retaining half of its initial discharge capacity, with just an overall drop reaching 7% of its capacity. Distinctive stability after 500 cycles at combined charge/discharge rates was recorded with a minute irreversible capacity loss and an overall capacity drop of 3%. This work authenticates the use of natural pyrolusite ingredients as a precursor for spinel LiMn2O4 synthesis besides providing economic and ecological assertions with the synthesis technique implemented.
Published: 2020

31. A soft-chemistry approach to the synthesis of amorphous calcium ortho/pyrophosphate biomaterials of tunable composition

Author: Christian Rey, Christian Bonhomme, Danielle Laurencin, Julien Trébosc, Mark E. Smith, Guillaume Laurent, Laëtitia Mayen, Olivier Marsan, Christèle Combes, Kuizhi Chen, Zhehong Gan, Jérémy Soulié, C. Coelho, Christel Gervais, Nicholai Daugaard Jensen, 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), 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), Spectroscopie, Modélisation, Interfaces pour L'Environnement et la Santé (LCMCP-SMiLES), Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry [Lancaster], Lancaster University, Institut des matériaux de Paris-Centre (IMPC), Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), 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, National High Magnetic Field Laboratory (NHMFL), Florida State University [Tallahassee] (FSU), EPSRC and BBSRC (contract reference PR140003), Birmingham Science City Advanced Materials Project 1 and 2, supported by Advantage West Midlands (AWM) and the European Regional Development Fund (ERDF), National Science Foundation Cooperative Agreement No. DMR-1157490 & DMR-1644779, and the State of Florida, French Région Ile de France - SESAME, ANR-16-CE19-0013,PyVerres,Développement de nouveaux verres à base de pyrophosphates élaborés par chimie douce pour des applications en régénération osseuse(2016), Centre National de la Recherche Scientifique - CNRS (FRANCE), Collège de France (FRANCE), Ecole Nationale Supérieure de Chimie de Montpellier - ENSCM (FRANCE), Florida State University - FSU (USA), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Sorbonne Université (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Ecole Centrale de Lille (FRANCE), Lancaster University (UNITED KINGDOM), Université d'Artois (FRANCE), Université de Lille (FRANCE), Université de Montpellier (FRANCE), Unité de Catalyse et de Chimie du Solide - UCCS (Villeneuve d'Ascq, France), 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 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), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Magnetic Resonance Spectroscopy, Sodium, Matériaux, 0206 medical engineering, Biomedical Engineering, Ionic bonding, chemistry.chemical_element, Biocompatible Materials, Context (language use), 02 engineering and technology, Calcium Pyrophosphate, Spectrum Analysis, Raman, Biochemistry, Pyrophosphate, Article, Soft chemistry, Biomaterials, chemistry.chemical_compound, Amorphous materials, X-Ray Diffraction, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Molecular Biology, Temperature, Phosphorus, General Medicine, Chemistry, Inorganic, 021001 nanoscience & nanotechnology, Phosphate, 020601 biomedical engineering, Amorphous solid, Characterization (materials science), Chemical engineering, chemistry, Thermogravimetry, Mixed calcium ortho/pyrophosphate, 0210 nano-technology, Biotechnology
Abstract: The development of amorphous phosphate-based materials is of major interest in the field of biomaterials science, and especially for bone substitution applications. In this context, we herein report the synthesis of gel-derived hydrated amorphous calcium/sodium ortho/pyrophosphate materials at ambient temperature and in water. For the first time, such materials have been obtained in a large range of tunable orthophosphate/pyrophosphate molar ratios. Multi-scale characterization was carried out thanks to various techniques, including advanced multinuclear solid state NMR. It allowed the quantification of each ionic/molecular species leading to a general formula for these materials: [(Ca2+y Na+z H+3+x-2y-z)(PO43−)1-x(P2O74−)x](H2O)u. Beyond this formula, the analyses suggest that these amorphous solids are formed by the aggregation of colloids and that surface water and sodium could play a role in the cohesion of the whole material. Although the full comprehension of mechanisms of formation and structure is still to be investigated in detail, the straightforward synthesis of these new amorphous materials opens up many perspectives in the field of materials for bone substitution and regeneration. Statement of significance The metastability of amorphous phosphate-based materials with various chain length often improves their (bio)chemical reactivity. However, the control of the ratio of the different phosphate entities has not been yet described especially for small ions (pyrophosphate/orthophosphate) and using soft chemistry, whereas it opens the way for the tuning of enzyme- and/or pH-driven degradation and biological properties. Our study focuses on elaboration of amorphous gel-derived hydrated calcium/sodium ortho/pyrophosphate solids at 70 °C with a large range of orthophosphate/pyrophosphate ratios. Multi-scale characterization was carried out using various techniques such as advanced multinuclear SSNMR (31P, 23Na, 1H, 43Ca). Analyses suggest that these solids are formed by colloids aggregation and that the location of mobile water and sodium could play a role in the material cohesion.
Published: 2020

32. Direct evidence for anisotropic three-dimensional magnetic excitations in a hole-doped antiferromagnet

Author: Rajesh Dutta, J. Ross Stewart, Avishek Maity, Matthias Opel, Anna Marsicano, Werner Paulus, Institut für Kristallographie, Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Forschungszentrum Julich, Outstn MLZ, JCNS, D-85747 Garching, Germany, Institut für Physikalische Chemie [Göttingen], Georg-August-University [Göttingen], Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität Munchen - Université Technique de Munich [Munich, Allemagne] (TUM), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), ISIS Neutron and Muon Source (ISIS), STFC Rutherford Appleton Laboratory (RAL), Science and Technology Facilities Council (STFC)-Science and Technology Facilities Council (STFC), walther-Meribner Institut, and Bayerische Akademie der Wissenschaften (BADW)
Subjects: Physics, Condensed matter physics, Direct evidence, Doping, Center (category theory), 02 engineering and technology, 021001 nanoscience & nanotechnology, Coupling (probability), 01 natural sciences, Spin wave, 0103 physical sciences, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Antiferromagnetism, Condensed Matter::Strongly Correlated Electrons, ddc:530, [PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el], 010306 general physics, 0210 nano-technology, Anisotropy, Spin-½
Abstract: We report a neutron-scattering study on ${\mathrm{Pr}}_{2\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{NiO}}_{4}$ ($x\ensuremath{\approx}0.5$) with magnetic incommensurability $\ensuremath{\epsilon}=0.461$ at 10 K, showing direct evidence for out-of-plane magnetic excitations caused by a non-negligible interlayer spin coupling (${J}_{\ensuremath{\perp}}$). The magnetic spectrum is fully represented by linear spin wave theory considering an unconventional body-centered-like stacking of discommensurated spin stripes. A large easy-plane-type single-ion anisotropy ($\ensuremath{\approx}1.5$ meV) has been found to be responsible for a finite-energy ($\ensuremath{\approx}13$ meV) Goldstone mode at the magnetic zone center. Our results validate the presence of a sizable out-of-plane interaction resulting in an anisotropic three-dimensional nature of spin dynamics in ${\mathrm{Pr}}_{2\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{NiO}}_{4}$ near the half-doped region.
Published: 2020

33. The peculiar redox mechanism of copper nitroprusside disclosed by a multi-technique approach

Author: Jasper R. Plaisier, Giuliana Aquilanti, Angelo Mullaliu, Marco Giorgetti, Sylvain Cristol, Lorenzo Stievano, Alma Mater Studiorum Università di Bologna [Bologna] (UNIBO), 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), 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), Elettra Sincrotrone Trieste, Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), 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, Alma Mater Studiorum University of Bologna (UNIBO), Karlsruher Institut für Technologie (KIT), 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), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Mullaliu, Angelo, Stievano, Lorenzo, Aquilanti, Giuliana, Plaisier, Jasper R., Cristol, Sylvain, Giorgetti, Marco, 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), nitroprusside, Materials science, Cathode materials, chemistry.chemical_element, Li-ion batteries, 01 natural sciences, Redox, DFT, Batterie, 030218 nuclear medicine & medical imaging, law.invention, 03 medical and health sciences, 0302 clinical medicine, law, 0103 physical sciences, Absorption (electromagnetic radiation), ComputingMilieux_MISCELLANEOUS, X-ray absorption spectroscopy, Radiation, Extended X-ray absorption fine structure, 010308 nuclear & particles physics, [CHIM.MATE]Chemical Sciences/Material chemistry, Nitroprussides, Copper, Cathode, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, EXAFS, MCR-ALS, chemistry, Prussian Blue, Chemical physics, Density functional theory, cathodes
Abstract: International audience; We report the structural analysis on copper nitroprusside (CuNP) used as cathode material in a Li-ion battery during the first lithiation process. The investigation involved a multi-technique approach, where multiple edge Extended X-ray Absorption Fine Structure (EXAFS) refinement has been coupled with Density Functional Theory (DFT) calculations. The reduction occurring at the Cu site involves structural distortion, which is believed to be the main reason for the capacity fading in the first cycles.
Published: 2020

34. Kabachnik-Fields Reaction by Mechanochemistry: New Horizons from Old Methods

Author: Jean-Luc Pirat, Dario Braga, Irena Sović, Ivan Halasz, Evelina Colacino, Andrea Porcheddu, Francesco Delogu, Oleksii Shemchuk, Cecilia Fiore, Pier Carlo Ricci, Stipe Lukin, David Virieux, Katia Martina, Fiore C., Sovic I., Lukin S., Halasz I., Martina K., Delogu F., Ricci P.C., Porcheddu A., Shemchuk O., Braga D., Pirat J.-L., Virieux D., Colacino E., Rudjer Boskovic Institute [Zagreb], Dipartimento di Ingegneria Meccanica, Universita degli Studi di Cagliari [Cagliari], Dipartimento di Scienze Chimiche e Geologiche Centro Grandi Strumenti and INSTM unit, Università di Cagliari, 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), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: New horizons, General Chemical Engineering, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Solid-state characterization, Kabachnik-Fields reaction, Domino reactions, Kinetics, Mechanochemistry, Raman in situ monitoring, α-Aminophosphonates, [CHIM]Chemical Sciences, Environmental Chemistry, Organic chemistry, Amino acid metabolism, ComputingMilieux_MISCELLANEOUS, chemistry.chemical_classification, Kinetic, Renewable Energy, Sustainability and the Environment, Oxides, Addition reactions, Chemical reactions, Ethyl groups, Nuclear magnetic resonance spectroscopy, Kabachnik–Fields reaction, Domino reaction, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Chemistry, Enzyme, chemistry, 0210 nano-technology
Abstract: α-Aminophosphonates are an important class of biologically active compounds, attracting considerable attention in medicinal chemistry, by inhibiting enzymes involved in amino acid metabolism. Herein, the Kabachnik–Fields domino reaction was investigated by mechanochemistry for the first-time preparation of α- aminophosphonate derivatives in high yields and with full selectivity, outperforming comparable solution procedures. The reaction occurs without the addition of any external catalyst, possibly via a metal-mediated process occurring on the surface of the jar (zirconium oxide was used as the milling media). The mechanism of the mechanochemical reaction was also investigated by in situ Raman spectroscopy, and the kinetic behavior was disclosed. The solid- state structures of two representative compounds have been determined by single- crystal X-ray diffraction.
Published: 2020

35. Structure, characterization, and properties of BaMoO4 and BaKYb(MoO4)3 flux-grown single-crystals

Author: M. Tillard, D. Granier, C. Reibel, L. Daenens, P. Armand, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Inorganic Chemistry, [CHIM.CRIS]Chemical Sciences/Cristallography, Materials Chemistry, Ceramics and Composites, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract: International audience
Published: 2022

36. Semicrystalline Organization of VDF- and TrFE-Based Electroactive Terpolymers: Impact of the trans-1,3,3,3-Tetrafluoropropene Termonomer

Author: Vincent Ladmiral, Sylvie Tencé-Girault, Thibaut Soulestin, Fabrice Domingues Dos Santos, François Bargain, Bruno Ameduri, Laboratoire Matière Molle et Chimie (MMC), Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS), 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), Piezotech SAS, Arkema, and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Materials science, Polymers and Plastics, Radical polymerization, 02 engineering and technology, Dielectric, 010402 general chemistry, paraelectric phase, 01 natural sciences, Inorganic Chemistry, Crystallinity, Phase (matter), Polymer chemistry, Materials Chemistry, Copolymer, trans-1, 3- tetrafluoropropene, Electroactive, Curie Transition, vinylidene fluoride, ferroelectrics, Organic Chemistry, Fluorinated polymers, Curie temperature, 021001 nanoscience & nanotechnology, radical polymerization, Ferroelectricity, 0104 chemical sciences, Dielectric spectroscopy, [CHIM.POLY]Chemical Sciences/Polymers, Chemical engineering, trifluoroethylene, 0210 nano-technology
Abstract: International audience; In the search for fluorinated polymers with newelectroactive properties, the radical polymerization of vinylidenefluoride (VDF), trifluoroethylene (TrFE), and trans-1,3,3,3-tetrafluoropropene (1234ze) was achieved. The crystallineorganization and the electroactive properties of semicrystallinepoly(VDF-ter-TrFE-ter-1234ze) terpolymer films with 1234zemolar contents ranging from 0 to 6%, obtained by solventcasting,were investigated using a combination of structural,dielectric, and electromechanical techniques. For 0 mol %1234ze, poly(VDF-co-TrFE) copolymers exhibited a Curietransition from the ferroelectric (FE) phase to the paraelectric (PE) phase at the Curie temperature (TC ∼ 95 °C). DSC,dielectric spectroscopy, and FTIR experiments revealed the preservation of this Curie transition (TC ∼ 75 °C) while increasingthe termonomer content. WAXS measurements confirmed the persistence of the FE phase as the main phase at roomtemperature but also showed the appearance of a secondary ZFE phase (expanded FE phase incorporating 1234ze units) in lowerproportion. The WAXS crystallinity was halved (42 to 23%) from 0 to 6 mol % 1234ze terpolymer annealed films. Furthermore,SAXS and WAXS experiments highlighted a decrease of the crystalline lamellae thickness and a significant modification of theelectronic density distribution upon increase of 1234ze units. A new model for this particular arrangement of crystalline lamellaewas thus proposed with the location of the ZFE phase at the interface between the FE crystalline lamellae and the amorphousphase. Finally, reduced remnant polarization (Pr ∼ 15 mC/m2) and transverse piezoelectric coefficient (d33 ∼ −5 pC/N),compared to those of the reference poly(VDF-co-TrFE) copolymer (Pr ∼ 50 mC/m2 and d33 ∼ −20 pC/N), were mainlyassigned to the decrease of the FE phase content in terpolymer poled films.
Published: 2017

37. Phosphorus-Containing Bis-allenes: Synthesis and Heterocyclization Reactions Mediated by Iodine or Copper Dibromide

Author: Nicolas Sevrain, Jean-Noël Volle, David Virieux, I. Essid, Soufiane Touil, Jean-Luc Pirat, C. Laborde, Tahar Ayad, Marc Rolland, F. Legros, Service de médecine gériatrique (CHU de Dijon - Centre gériatrique de Champmaillot - EHPAD), Centre Hospitalier Universitaire de Dijon - Hôpital François Mitterrand (CHU Dijon), Institut Européen des membranes (IEM), Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM), Laboratoire Charles Friedel, Université Pierre et Marie Curie - Paris 6 (UPMC)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), 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), 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 Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), 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), and Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM)
Subjects: 010405 organic chemistry, Phosphorus containing, Organic Chemistry, chemistry.chemical_element, Conjugated system, 010402 general chemistry, Iodine, 01 natural sciences, Biochemistry, Medicinal chemistry, Copper, 3. Good health, 0104 chemical sciences, chemistry, Reagent, [CHIM]Chemical Sciences, Organic chemistry, Physical and Theoretical Chemistry, ComputingMilieux_MISCELLANEOUS
Abstract: Bisphosphorylallenes were easily obtained in multigram scale from the Wittig-type rearrangement of bispropargyl alcohols. Unlike other conjugated bis-allenes, these reagents underwent a double cyclization mediated by iodine or copper dibromide leading to the formation of bis-1,2-oxaphospholenes.
Published: 2017

38. Optimal direct electron transfer between MWCNTs@COOH/BOD/chitosan layer and porous carbon felt for dioxygen reduction

Author: Thi Xuan Huong Le, Mikhael Bechelany, Valérie Flaud, Marc Cretin, Sophie Tingry, Institut Européen des membranes (IEM), Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM), 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), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Materials science, Immobilized enzyme, General Chemical Engineering, Carbon nanotubes, 02 engineering and technology, Carbon nanotube, 010402 general chemistry, Electrochemistry, 01 natural sciences, law.invention, Electron transfer, Adsorption, law, [CHIM]Chemical Sciences, Organic chemistry, direct electron transfer, Bilirubin oxidase, electroenzymatic reduction, storage stability, porouscarbonfelt, Chronoamperometry, electrostatic interactions, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Chemical engineering, Linear sweep voltammetry, 0210 nano-technology
Abstract: International audience; We present the effect of thermal treatment of carbon felt by gas flow containing 1% of oxygen at high temperature on the direct electron transfer and electrocatalytic oxygen reduction currents by a bilirubin oxidase (BOD) film directly adsorbed in the presence of carbon nanotubes on to a porous carbon felt (PCF). The upgraded properties (surface area, pore volume and hydrophilicity) of the resulting porous carbon felt (PCF) in comparison to commercial carbon felt (raw CF), creates a suitable support for the entrapment of MWCNTs bearing negative charges at neutral pH and BOD enzymes, all the components being entrapped in chitosan layer reticulated with glutaraldehyde. Since functional MWCNTs are 2 usually used to facilitate DET, we introduce COOH@MWCNTs, bearing negative charges at neutral pH, in the enzyme layer to evaluate their impact on the electron transfer properties with BOD. The enzyme immobilization efficiency is examined by varying the amount of the components and the immobilization procedure. Linear sweep voltammetry (LSV) and chronoamperometry measurements are used to evaluate the electrochemical behavior of the enzymatic biocathodes. Based on the experimental results, we show that the optimized bioelectrode delivers a current density of 3.70 mA cm-2at 0.15 V vs Ag/AgCl and could retain above 55 % of its initial response after 4 months, proving its outstanding performance. This new bioelectrode allows for optimal DET-type bioelectrocatalytic activity toward O2 reduction and is a very promising candidate for the construction of 3-dimensional cathodes in (bio)-electrochemical devices needing high current output.
Published: 2017

39. Structuring of Alkyl-Triazole Bridged Silsesquioxanes

Author: Luís D. Carlos, Guillaume Toquer, M. Wong Chi Man, Paulo Almeida, M. A. Cardoso, S. C. Nunes, Xavier Cattoën, Paula Ferreira, V. de Zea Bermudez, R. Ferreira, Alvaro Mayoral, Universidade da Beira Interior, Universidade de Trás-os-Montes e Alto Douro (UTAD), Universidade do Trás-os-Montes e Alto Douro, Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Departemento de Fisica and CICECO, Universidade de Aveiro, University of Zaragoza - Universidad de Zaragoza [Zaragoza], Centro de Investigacao em Materiais Ceramicaos e Compositos (CICECO), Optique et Matériaux (OPTIMA ), Institut Néel (NEEL), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), University of Beira Interior [Portugal] (UBI), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-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), Optique et Matériaux (NEEL - OPTIMA), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), and 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)
Subjects: chemistry.chemical_classification, Materials science, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Bilayer, Triazole, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Ring (chemistry), 01 natural sciences, 0104 chemical sciences, Catalysis, chemistry.chemical_compound, chemistry, Polymer chemistry, Click chemistry, Amine gas treating, Lamellar structure, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS, Alkyl
Abstract: Non-porous bridged silsesquioxanes (BSs) were produced by sol-gel reactions and self-directed assembly, in the presence of an acid catalyst and a large excess of water, from bridged organosilane precursors (BOPs) synthesized by click chemistry. The rational design of the compounds, comprising an amine group and alkyl chains with variable length (n), pendant and anchored on a single position to a triazole ring, and the control of acid content (w, moles of acid per moles of BOP) enabled the tuning of the morphology and structure of the BSs. At n=6, 12 and 16, and w=0.2 amorphous hybrids were produced as uniform isotropic micro- to nanospheres. Structuring resulted at n =16 and w=1.2 or n=20 and w=0.2, yielding lamellar bilayer structures. In the case of the BS with n=20 and w=1.2 a lamellar bilayer phase and a minor hexagonal 2D structure emerged. The quite unusual formation of the latter structure was attributed to the presence of a chloride ion close to the proton located between the N(2) atom of the triazole ring and the amine group of the organic spacer, acting as a curvature agent.
Published: 2017

40. Polymerization-induced self-assembly of PVAc-b-PVDF block copolymers via RAFT dispersion polymerization of vinylidene fluoride in dimethyl carbonate

Author: Bruno Ameduri, Franck Godiard, Vincent Ladmiral, Marc Guerre, Mona Semsarilar, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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 Européen des membranes (IEM), Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM), Université de Montpellier (UM), and 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)
Subjects: Materials science, Polymers and Plastics, Bioengineering, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Biochemistry, law.invention, chemistry.chemical_compound, law, Polymer chemistry, Copolymer, Reversible addition−fragmentation chain-transfer polymerization, Crystallization, Fluoropolymers, Dispersion polymerization, RAFT polymerization, Organic Chemistry, PISA, Chain transfer, self-assembly, Raft, 021001 nanoscience & nanotechnology, Block copolymers, PVAc-b-PVDF, 0104 chemical sciences, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Polymerization, Dimethyl carbonate, 0210 nano-technology
Abstract: International audience; Polymerization-induced self-assembly of PVAc-b-PVDF block copolymers (BCPs) in dimethyl carbonate (DMC) was performed and studied using vinylidene fluoride (VDF) RAFT dispersion polymerization protocols in DMC in the presence of PVAc macromolecular chain transfer agents (macro-CTAs). The polymerizations were conducted at 73 °C in DMC using three PVAc macro-CTAs of different molar masses and targeting various DPPVDF. The relatively high frequency of head-to-head (HH) additions in VAc polymerization and the much lower reactivity of the resulting PVAc chains terminated with a–CH(OAc)–CH2–SC(S) OCH2CH3group (PVAcT–XA, where XA stands for the xanthate end-group) compared to their regularly terminated analogs (PVAcH–XA) leads to an accumulation of PVAcT–XA chains during polymerization. These PVAcT–XA reactivate slower than PVAcH–XA in the presence of PVDF• radicals. In addition, RAFT polymerization of VDF is prone to the same chain defect problem and to non-negligible transfer to DMC. In consequence, RAFT dispersion polymerization of VDF in the presence of PVAc macro-CTAs afforded PVAc-b-PVDF BCPs (contaminated with starting unreacted PVAc and PVDF homopolymers formed viatransfer to DMC). These phenomena were studied using 1H and 19F NMR spectroscopy and size exclusion chromatography. Nevertheless, the VDF RAFT dispersion polymerization in DMC experiments resulted in self-assembled BCP morphologies in the form of crystalline (1–5μm) ovoidal flakes.These flakes stack on top of each other and form star-like structures. The structures are thought to formby epitaxial growth of the PVDF crystals and interparticle interpenetration crystallization. Although they are formed under polymerization-induced self-assembly conditions, the morphologies of these BCP structures are governed by the crystallization of PVDF.
Published: 2017

41. Biobased and Aromatic Reversible Thermoset Networks from Condensed Tannins via the Diels−Alder Reaction

Author: Guillaume Couture, Sylvain Caillol, Luc Avérous, Antoine Duval, Fédération de recherche de l'ECPM (FRE), Centre National de la Recherche Scientifique (CNRS), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), and 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)
Subjects: Thermogravimetric analysis, General Chemical Engineering, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, biobased polymer, chemistry.chemical_compound, Differential scanning calorimetry, tannins, Furan, Polymer chemistry, Environmental Chemistry, Organic chemistry, Fourier transform infrared spectroscopy, Maleimide, ComputingMilieux_MISCELLANEOUS, Diels–Alder reaction, Renewable Energy, Sustainability and the Environment, reversible thermoset, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Proanthocyanidin, Polyphenol, 0210 nano-technology, diels-alder
Abstract: Thermo-reversible networks were obtained for the first time from tannins, an aromatic biobased polyphenol, by reacting furan-bearing tannins and telechelic oligomers with maleimide end groups, using the Diels−Alder (DA) reaction. Condensed tannins from mimosa (Acacia mearnsii) were functionalized with furfuryl glycidyl ether and thoroughly characterized by 1H, 31P NMR, and FTIR spectroscopy. The accessibility of the grafted furan groups was confirmed by a model reaction with N-methylmaleimide. Different cross-linked networks were then obtained by DA reaction with three PPO and PPO-b-PEO-b-PPO oligomers and evidenced by FTIR spectroscopy. The thermal properties of the obtained networks were evaluated with differential scanning calorimetry (DSC) and thermogravimetric analysis. Then, the reversibility of the cross-linking was shown by a quick return to the liquid state upon heating at 120 °C. The retro Diels−Alder reaction was studied by size exclusion chromatography and DSC.
Published: 2016

42. Como a composição química das nanopartículas bimetálicas afeta as propriedades catalíticas dos catalisadores de FeNi/SiO2?

Author: Shi, Dichao, Girardon, Jean-Sébastien, Constant, Anne, Mamede, Anne-Sophie, Wojcieszak, Robert, Sébastien, Paul, Marceau, E., Lamic-Humblot, Anne-Félicie, Marinova, Maya, Briois, Valérie, Stievano, Lorenzo, Sougrati, Moulay T., Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), 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, Laboratoire de Réactivité de Surface (LRS), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut Michel Eugène Chevreul - FR 2638 (IMEC), Université d'Artois (UA)-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Centrale Lille Institut (CLIL), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), 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), and 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)
Subjects: [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract: International audience
Published: 2019

43. Nanoparticles in Optical Waveguides: A Toolbox to Promote Lasers, Amplifiers and Sensors

Author: Laeticia Petit, Stéphane Chaussedent, Maurizio Ferrari, Anna Lukowiak, Zhuorui Lu, Manuel Vermillac, Wilfried Blanc, Franck Mady, Mourad Benabdesselam, Ahmad Mehdi, Institut de Physique de Nice (INPHYNI), Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Caratterizzazione e Sviluppo di Materiali per la Fotonica e l'Optoelecttronica (CSMFO), CNR Istituto di Fotonica e Nanotecnologie [Trento] (IFN), Consiglio Nazionale delle Ricerche [Roma] (CNR)-Consiglio Nazionale delle Ricerche [Roma] (CNR), Laboratoire de physique de la matière condensée (LPMC), Centre National de la Recherche Scientifique (CNRS)-Université Nice Sophia Antipolis (... - 2019) (UNS), Institute of Low Temperatures and Structure Research, Polska Akademia Nauk = Polish Academy of Sciences (PAN), Laboratoire de Photonique d'Angers (LPHIA), Université d'Angers (UA), 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), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: 010302 applied physics, Optical amplifier, [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Materials science, business.industry, Amplifier, Physics::Optics, Nanoparticle, Nanotechnology, 02 engineering and technology, Transparency (human–computer interaction), 021001 nanoscience & nanotechnology, Laser, 01 natural sciences, Toolbox, law.invention, law, 0103 physical sciences, Fiber amplifier, Photonics, 0210 nano-technology, business, ComputingMilieux_MISCELLANEOUS
Abstract: The success of glass photonics are many, with a large spectrum of applications covering Information and Communication Technology, Health and Biology, Structural Engineering, and Environment Monitoring Systems, etc. A paradigmatic example is the development of the Erbium-Doped Fiber Amplifier (EDFA) allowing the raise of optical telecommunications and high speed internet. Silica glass is the most common glass used for photonics applications. However, certain of its characteristics may be detrimental for luminescence properties (low rare-earth solubility, high phonon energy, etc). To overcome these limitations, the use of nanoparticles in optical waveguides has gained large interest in modern photonic technology nowadays. Such waveguides would combine the advantages of silica (transparency, cost, chemical and mechanical durability, etc.) and the specific properties provided by the nanoparticles which encapsulate the rare-earth ions. In this paper, we discuss on the opportunities offered by the nanoparticles addition in glasses for lasers and amplifiers thanks to the engineering of the spectroscopic properties. We present also an emerging application: sensors based on high scattered fibers.
Published: 2019

44. From Lossen Transposition to Solventless 'Medicinal Mechanochemistry'

Author: Andrea Porcheddu, Evelina Colacino, L. De Luca, Francesco Delogu, Universita degli Studi di Cagliari [Cagliari], Università degli Studi di Sassari [Sassari] (UNISS), 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), The authors are grateful to MIUR (Italy, PRIN project:MultIFunctional poLymer cOmposites based on groWnmatERials). A.P. is grateful to MIUR for'Finanziamentodelle AttivitàBase di Ricerca (FABR 2017)'. The authorsacknowledge the CeSAR (Centro Servizi d’Ateneo per laRicerca) of the University of Cagliari, Italy for the NMRexperiments at 600 MHz., and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Lossen rearrangement 1, Renewable Energy, Sustainability and the Environment, Chemistry, General Chemical Engineering, Hydantoins, Medicinal mechanochemistry, Active pharmaceutical ingredients, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Environmentally friendly, 0104 chemical sciences, Lossen rearrangement, 1-Carbonyldiimidazole, Mechanochemistry, Environmental Chemistry, Organic chemistry, [CHIM]Chemical Sciences, 0210 nano-technology
Abstract: International audience; An environmentally friendly mechanochemical strategy for the preparation of unsymmetrical ureas and 3,5-disubstituted hydantoins by using safe starting materials in place of hazardous and toxic isocyanates has been designed. For the first time, the Lossen rearrangement was successfully applied to prepare a collection of relevant structures in medicinal chemistry via a one-pot mechanochemical approach and without a single drop of organic solvent including during the workup. The procedure was effective for the preparation of the Active Pharmaceutical Ingredient (API) ethotoin.
Published: 2019

45. Femtosecond wave-packet revivals in ozone

Author: Simon Holzner, Olga Razskazovskaya, Ann-Katrin Sommer, Benjamin Lasorne, Johann Riemensberger, Markus Fieß, T. Latka, Ágnes Vibók, V. Shirvanyan, Alexander Guggenmos, Clemens Jakubeit, Reinhard Kienberger, Piero Decleva, Fabien Gatti, Martin Schultze, M. Jobst, David Lauvergnat, Gábor J. Halász, Birgitta Bernhardt, Wolfram Helml, Marcus Ossiander, Technische Universität Munchen - Université Technique de Munich [Munich, Allemagne] (TUM), Max-Planck-Institut für Quantenoptik (MPQ), Max-Planck-Gesellschaft, Ludwig-Maximilians-Universität München (LMU), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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 des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie Physique D'Orsay (LCPO), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Università degli studi di Trieste, and University of Debrecen
Subjects: Physics, Ozone, Wave packet, Photodissociation, medicine.disease_cause, 01 natural sciences, 010305 fluids & plasmas, ddc, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry.chemical_compound, chemistry, Extreme ultraviolet, Excited state, 0103 physical sciences, Femtosecond, medicine, Atomic physics, Physics::Chemical Physics, 010306 general physics, Ultrashort pulse, Ultraviolet
Abstract: Photodissociation of ozone following absorption of biologically harmful solar ultraviolet radiation is the key mechanism for the life protecting properties of the atmospheric ozone layer. Even though ozone photolysis is described successfully by post-Hartree-Fock theory, it has evaded direct experimental access so far, due to the unavailability of intense ultrashort deep ultraviolet radiation sources. The rapidity of ozone photolysis with predicted values of a few tens of femtoseconds renders both ultrashort pump and probe pulses indispensable to capture this manifestation of ultrafast chemistry. Here, we present the observation of femtosecond time-scale electronic and nuclear dynamics of ozone triggered by \ensuremath{\sim}10-fs, \ensuremath{\sim}2-\textmu{}J deep ultraviolet pulses and, in contrast to conventional attochemistry experiments, probed by extreme ultraviolet isolated pulses. An electronic wave packet is first created. We follow the splitting of the excited B-state related nuclear wave packet into a path leading to molecular fragmentation and an oscillating path, revolving around the Franck-Condon point with 22-fs wave-packet revival time. Full quantum-mechanical ab initio multiconfigurational time-dependent Hartree simulations support this interpretation.
Published: 2019

46. Lattice Dynamics Study of Thermoelectric Oxychalcogenide BiCuChO (Ch = Se, S)

Author: David Berardan, Jean-Louis Bantignies, David Maurin, Mickael Beaudhuin, Romain Viennois, Céline Barreteau, Michael Marek Koza, Nita Dragoe, Patrick Hermet, Stéphane Pailhès, M. T. Fernandez-Diaz, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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), Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), (nano)Matériaux pour l'énergie (ENERGIE), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Institut Laue-Langevin (ILL), ILL, Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), 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), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, and Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
Subjects: Materials science, Condensed matter physics, Phonon, Anharmonicity, Neutron diffraction, 02 engineering and technology, Grüneisen parameter, 010402 general chemistry, 021001 nanoscience & nanotechnology, Thermoelectric materials, 7. Clean energy, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Brillouin zone, Condensed Matter::Materials Science, General Energy, Thermal conductivity, Thermoelectric effect, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, 0210 nano-technology
Abstract: jp9b04806_si_001.pdf (1.0 MB); International audience; The BiCuSeO-based compounds with very low thermal conductivity are among the most promising thermoelectric materials recently discovered. Their lattice dynamics, which remains mostly unexplored experimentally, is investigated in this paper. We report Raman experiments on BiCuSe1–xSxO solid solutions and infrared experiments on BiCuSeO and BiCuSO alloys coupled to first-principles-based calculations. We have observed that the high-energy A1g Raman-active mode strongly depends on the chalcogen content. We also report the density functional theory calculations of the dielectric and elastic constants, the phonons in the whole Brillouin zone, and the thermodynamic properties. We have determined the thermal expansion of BiCuSeO at room temperature from neutron diffraction experiments and evaluated its thermodynamic Grüneisen parameter and found a quite large value compared to other thermoelectric materials, which confirms the large anharmonicity of BiCuSeO.
Published: 2019

47. Bituminous Coal as Low‐Cost Anode Materials for Sodium‐Ion and Lithium‐Ion Batteries

Author: Nour Ait Laziz, Cécile Autret-Lambert, Abdelkader Outzourhit, Moulay Tahar Sougrati, Joumana Toufaily, Fouad Ghamouss, John Abou-Rjeily, Physico-chimie des Matériaux et des Electrolytes pour l'Energie (PCM2E), Université de Tours, Laboratory of Physics for Solidand Thin Films (LPICM), Université Cadi Ayyad [Marrakech] (UCA), GREMAN (matériaux, microélectronique, acoustique et nanotechnologies) (GREMAN - UMR 7347), Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours-Centre National de la Recherche Scientifique (CNRS), 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), Laboratory of Applied Studies for Sustainable Development andRenewable Energy (LEADDER) MCEMA, Lebanese University [Beirut] (LU), Université de Tours (UT), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Thermogravimetric analysis, Materials science, Scanning electron microscope, Annealing (metallurgy), 020209 energy, chemistry.chemical_element, Li-ion batteries, 02 engineering and technology, 7. Clean energy, Energy storage, Na-ion batteries, 0202 electrical engineering, electronic engineering, information engineering, [CHIM]Chemical Sciences, Porosity, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, carbonaceous anodes, Anode, General Energy, chemistry, Chemical engineering, electrochemistry, Elemental analysis, bituminous coals, Lithium, 0210 nano-technology
Abstract: International audience; The expanding market for secondary batteries is attentive for novel carbonaceous anode materials due to the continuing demand for energy storage systems that grant access for mobile applications, transportation, and stationary systems. Accordingly, natural high‐volatile bituminous coal analyzed in its raw and thermally processed states in half‐cells for energy storage (sodium‐ and lithium‐ion batteries) is presented. Thermal annealing is carried out at various temperatures (800, 1000, and 1200 °C) and in different annealing atmospheres (argon and nitrogen). Morphology and structural alterations are observed and detected via scanning electron microscopy (SEM), energy‐dispersive X‐ray spectroscopy (EDS), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), X‐ray diffraction (XRD), Raman, elemental analysis, and textural porosity evaluations. Electrochemical experiments show satisfactory reversible capacities (223 mAh g−1 vs Na and 409 mAh g−1 vs Li) and retentions remarkable for low‐temperature annealed samples. Exploiting this neglected carbonaceous mining ore debris provides prospective ecological, economic, and energetic assertions. This work also discusses the positive influence of annealing under a nitrogen atmosphere at reduced temperatures (800 °C).
Published: 2019

48. A High Proton Conductive Hydrogen-Sulfate Decorated Titanium Carboxylate Metal−Organic Framework

Author: Sabine Devautour-Vinot, Marco Daturi, Mohammad Wahiduzzaman, Josefine Schnee, Jong-San Chang, Pascal G. Yot, Alexandre Vimont, Richard Retoux, Sujing Wang, Ji Sun Lee, Guillaume Maurin, Vanessa Ortiz, Christian Serre, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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 des Matériaux Poreux de Paris (IMAP ), Département de Chimie - ENS Paris, École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire catalyse et spectrochimie (LCS), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Laboratoire de cristallographie et sciences des matériaux (CRISMAT), École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC), Korean Research Institute of Chemical Technology (KRICT), Korean Research Institute of Chemical Technology, 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), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Sungkyunkwan University [Suwon] (SKKU), and 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)
Subjects: Green chemistry, Proton conductivity, Materials science, General Chemical Engineering, Reaction mechanisms, Proton migration mechanism, Inorganic chemistry, Metal organic frameworks, chemistry.chemical_element, 02 engineering and technology, Conductivity, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, Acidic sites, Proton transport, Environmental Chemistry, [CHIM]Chemical Sciences, Carboxylate, MOF, Titanium, Renewable Energy, Sustainability and the Environment, Postmodification, Fourier transform infrared spectroscopy, General Chemistry, Molecules, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Dielectric spectroscopy, chemistry, Metal-organic framework, Chemical stability, Clean-energy application, 0210 nano-technology, Proton conduction
Abstract: International audience; A hydrolytically stable titanium carboxylate-based metal−organic framework (MOF), incorporating hydrogen-sulfate functions bounded to Ti-metal sites and named MIP-177-SO4H-LT, was prepared using a green and simple synthesis protocol. This solid exhibits a very high proton conductivity of 2.6 × 10–2 S cm–1 at 298 K and 95% relative humidity as evidenced by impedance spectroscopy measurements. This high level of performance maintained over 7 days combined with a very good chemical stability and green synthesis route positions this MOF as a promising candidate for further deployment as a proton-exchange membrane. Ab initio Molecular Dynamics simulations and advanced characterization tools (IR, UV–vis, TGA–MS) were further coupled to reveal a water-mediated proton transport Grotthuss-like mechanism.
Published: 2019

49. Large Pore Mesoporous Silica and Organosilica Nanoparticles for Pepstatin A Delivery in Breast Cancer Cells

Author: Laurence Raehm, Laure Lichon, Morgane Daurat, Clarence Charnay, Marcel Garcia, Dina Aggad, Magali Gary-Bobo, Jean-Olivier Durand, Mylene Sejalon, Eric Vivès, Jelena Budimir, Saher Rahmani, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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 des Biomolécules Max Mousseron [Pôle Chimie Balard] (IBMM), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Centre de recherche en Biologie Cellulaire (CRBM), Université Montpellier 2 - Sciences et Techniques (UM2)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1), 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), 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), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Dispersity, Pharmaceutical Science, Nanoparticle, Peptide, Breast Neoplasms, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Article, pepstatin A, Analytical Chemistry, lcsh:QD241-441, chemistry.chemical_compound, Drug Delivery Systems, lcsh:Organic chemistry, Cell Line, Tumor, Drug Discovery, Pepstatins, Humans, cancer, [CHIM]Chemical Sciences, mesoporous silica nanoparticles, mesoporous organosilica nanoparticles, Physical and Theoretical Chemistry, chemistry.chemical_classification, Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Organic Chemistry, Mesoporous silica, 021001 nanoscience & nanotechnology, Silicon Dioxide, 0104 chemical sciences, 3. Good health, Membrane, Chemical engineering, Chemistry (miscellaneous), Cancer cell, Molecular Medicine, Nanomedicine, Nanoparticles, Female, 0210 nano-technology, Porosity, Pepstatin
Abstract: International audience; (1) Background: Nanomedicine has recently emerged as a new area of research, particularly to fight cancer. In this field, we were interested in the vectorization of pepstatin A, a peptide which does not cross cell membranes, but which is a potent inhibitor of cathepsin D, an aspartic protease particularly overexpressed in breast cancer. (2) Methods: We studied two kinds of nanoparticles. For pepstatin A delivery, mesoporous silica nanoparticles with large pores (LPMSNs) and hollow organosilica nanoparticles (HOSNPs) obtained through the sol-gel procedure were used. The nanoparticles were loaded with pepstatin A, and then the nanoparticles were incubated with cancer cells. (3) Results: LPMSNs were monodisperse with 100 nm diameter. HOSNPs were more polydisperse with diameters below 100 nm. Good loading capacities were obtained for both types of nanoparticles. The nanoparticles were endocytosed in cancer cells, and HOSNPs led to the best results for cancer cell killing. (4) Conclusions: Mesoporous silica-based nanoparticles with large pores or cavities are promising for nanomedicine applications with peptides.
Published: 2019

50. Pressure-Induced Phase Transitions in TiO 2 Rutile Nanorods

Author: Stéphane Vignoli, Thibaut Cornier, Patrick Hermet, Stéphane Daniele, Denis Machon, Nicolas Le Bail, (nano)Matériaux pour l'énergie (ENERGIE), Institut Lumière Matière [Villeurbanne] (ILM), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, Laboratoire Nanotechnologies Nanosystèmes (LN2 ), Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-École Centrale de Lyon (ECL), Université de Lyon-Université de Lyon-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Sherbrooke (UdeS)-École supérieure de Chimie Physique Electronique de Lyon (CPE)-Centre National de la Recherche Scientifique (CNRS), IRCELYON-C'Durable (CDURABLE), Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-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 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 Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Université de Sherbrooke (UdeS)-École Centrale de Lyon (ECL), Université de Lyon-Université de Lyon-École supérieure de Chimie Physique Electronique de Lyon (CPE)-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), and Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-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)
Subjects: Phase transition, Materials science, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Nanomaterials, Condensed Matter::Materials Science, symbols.namesake, Chemical structure, Phase (matter), Metastability, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, [PHYS]Physics [physics], Oxides, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, Rutile, Chemical physics, Phase transitions, symbols, Nanoparticles, Nanorod, Nanorods, 0210 nano-technology, Raman spectroscopy, Ambient pressure
Abstract: SSCI-VIDE+CDFA+TCO:SDA; International audience; TiO2 nanorods (diameter of 6–8 nm) with the rutile-type structure have been investigated by Raman spectroscopy under high pressure. Additional bands in the Raman spectrum at ambient pressure are interpreted as resulting from defects that break the Raman selection rules as the simulated vibrational density of states (vDOS) is in good agreement with the experimental spectrum. Under pressure, the rutile structure transforms to the baddeleyite one at P ∼ 16 GPa. After the pressure cycle, the α-PbO2 phase is recovered. The sequence of phases is discussed in terms of thermodynamics and kinetics based on crystallographic relationships. In contrast to other one-dimensional TiO2 nanomaterials that adopt a metastable structure, the nanorods studied in this work show little impact of the morphology on the phase transitions sequence compared to that of the bulk TiO2.
Published: 2019

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