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15 results on '"Region Grand-Est"'

1. Detection of minor compounds in complex mineral samples from millions of spectra: A new data analysis strategy in LIBS imaging

Author

Ludovic Duponchel, Frédéric Pelascini, Cécile Fabre, Jean Cauzid, Vincent Motto-Ros, Alessandro Nardecchia, Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), GeoRessources, Institut national des sciences de l'Univers (INSU - CNRS)-Centre de recherches sur la géologie des matières premières minérales et énergétiques (CREGU)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Cetim Grand Est, Spectrométrie des biomolécules et agrégats (SPECTROBIO), 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), Pulsalys, French region Grand Est, French region Rhones Alpes Auvergne (Optolyse, CPER2016), Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Centre de recherches sur la géologie des matières premières minérales et énergétiques (CREGU)-Institut national des sciences de l'Univers (INSU - CNRS), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon

Subjects
Chemical imaging, Hyperspectral imaging, Field of view, 02 engineering and technology, 01 natural sciences, Biochemistry, Clustering, Spectral line, Analytical Chemistry, Big data, [SPI]Engineering Sciences [physics], [CHIM]Chemical Sciences, Environmental Chemistry, Spectroscopy, Cluster analysis, [PHYS]Physics [physics], Detection limit, business.industry, Chemistry, 010401 analytical chemistry, Pattern recognition, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Characterization (materials science), Laser-induced breakdown spectroscopy (LIBS), Artificial intelligence, 0210 nano-technology, business
Abstract

International audience; Today, Laser-Induced Breakdown Spectroscopy (LIBS) imaging is in full change. Indeed, always more stable instrumentations are developed, which significantly increases the signal quality and naturally the analytical potential of the technique for the characterization of complex and heterogeneous samples at the micro-scale level. Obviously, other intrinsic features such as a limit of detection in the order of ppm, a high field of view and high acquisition rate make it one of the most complete chemical imaging techniques to date. It is thus possible in these conditions to acquire several million spectra from one single sample in just hours. Managing big data in LIBS imaging is the challenge ahead. In this paper, we put forward a new spectral analysis strategy, called embedded k-means clustering, for simultaneous detection of major and minor compounds and the generation of associated localization maps. A complex rock section with different phases and traces will be explored to demonstrate the value of this approach.

Published
2020
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2. Causes and consequences of impaired methionine synthase activity in acquired and inherited disorders of vitamin B 12 metabolism

Author

David Coelho, Jean-Louis Guéant, Viola J Kosgei, Rosa-Maria Guéant-Rodriguez, Nutrition-Génétique et Exposition aux Risques Environnementaux (NGERE), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Lorraine (UL), Service de Biochimie et Biologie Moléculaire, Nutrition et Métabolisme [CHRU Nancy], Centre Hospitalier Régional Universitaire de Nancy (CHRU Nancy), The present work was financially supported by FHU ARRIMAGE and the French PIA GEENAGE project of Lorraine Université d’Excellence, reference: ANR-15-IDEX-04-LUE and the OMAGE project granted by Region Grand-Est of France and FEDER., IMPACT GEENAGE, and ANR-15-IDEX-0004,LUE,Isite LUE(2015)

Subjects
Homocysteine, [SDV]Life Sciences [q-bio], peroxisome proliferator-activated receptor-γ coactivator-1α, inborn errors of metabolism, Biochemistry, sirtuin 1, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Methionine synthase, vitamin B12 deficiency, cobalamin, Molecular Biology, 030304 developmental biology, Methionine synthase activity, 2. Zero hunger, 0303 health sciences, Methionine, biology, Chemistry, Methylation, (Methionine synthase) reductase, MMACHC, 3. Good health, fetal programming, biology.protein, Transmethylation, 030217 neurology & neurosurgery
Abstract

International audience; Methyl-Cobalamin (Cbl) derives from dietary vitamin B12 and acts as a cofactor of methionine synthase (MS) in mammals. MS encoded by MTR catalyzes the remethylation of homocysteine to generate methionine and tetrahydrofolate, which fuel methionine and cytoplasmic folate cycles, respectively. Methionine is the precursor of S-adenosyl methionine (SAM), the universal methyl donor of transmethylation reactions. Impaired MS activity results from inadequate dietary intake or malabsorption of B12 and inborn errors of Cbl metabolism (IECM). The mechanisms at the origin of the high variability of clinical presentation of impaired MS activity are classically considered as the consequence of the disruption of the folate cycle and related synthesis of purines and pyrimidines and the decreased synthesis of endogenous methionine and SAM. For one decade, data on cellular and animal models of B12 deficiency and IECM have highlighted other key pathomechanisms, including altered interactome of MS with methionine synthase reductase, MMACHC, and MMADHC, endoplasmic reticulum stress, altered cell signaling, and genomic/epigenomic dysregulations. Decreased MS activity increases catalytic protein phosphatase 2A (PP2A) and produces imbalanced phosphorylation/methylation of nucleocytoplasmic RNA binding proteins, including ELAVL1/HuR protein, with subsequent nuclear sequestration of mRNAs and dramatic alteration of gene expression, including SIRT1. Decreased SAM and SIRT1 activity induce ER stress through impaired SIRT1-deacetylation of HSF1 and hypomethylation/hyperacetylation of peroxisome proliferator-activated receptor-γ coactivator-1α (PGC1α), which deactivate nuclear receptors and lead to impaired energy metabolism and neuroplasticity. The reversibility of these pathomechanisms by SIRT1 agonists opens promising perspectives in the treatment of IECM outcomes resistant to conventional supplementation therapies.

Published
2021
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3. Mg isotope composition in beech forest ecosystems and variations induced by liming: insights from four experimental sites in Northern France

Author

Emile B. Bolou-Bi, Claude Nys, Guillaume Caro, Benoît Pollier, Arnaud Legout, Mélanie Court, Julien Bouchez, Pascale Louvat, Gregory van der Heijden, Laurent Saint-André, Serge Didier, Unité de recherche Biogéochimie des Ecosystèmes Forestiers (BEF), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut de Physique du Globe de Paris (IPGP), Institut national des sciences de l'Univers (INSU - CNRS)-IPG PARIS-Université de La Réunion (UR)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), Dept. des Sciences et Techniques de l'Eau et du Génie de l'Environnement, UFR des Sciences de la Terre et des Ressources Minières (UFR-STRM), Univ. de Cocody, Abidjan, Cote d' ivoire, Centre de Recherches Pétrographiques et Géochimiques (CRPG), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Office National des Forets, Region Grand-Est, French National Research Agency (ANR), ANAEE France, LTSER Zone Atelier Bassin Moselle, Region Ile-de-France 12015908, and ANR-11-LABX-0002,ARBRE,Recherches Avancées sur l'Arbre et les Ecosytèmes Forestiers(2011)

Subjects
Biogeochemical cycle, 010504 meteorology & atmospheric sciences, 01 natural sciences, Mineralization (biology), complex mixtures, Nutrient, Forest ecology, Forest ecosystem, Environmental Chemistry, Organic matter, 0105 earth and related environmental sciences, Earth-Surface Processes, Water Science and Technology, chemistry.chemical_classification, Topsoil, Biogeochemical cycling, 04 agricultural and veterinary sciences, 15. Life on land, Humus, chemistry, Environmental chemistry, Dolomite lime, [SDE]Environmental Sciences, 040103 agronomy & agriculture, 0401 agriculture, forestry, and fisheries, Environmental science, Mg isotopes, Liming, Cycling, Calcium carbonate
Abstract

International audience; Many forest soils are acidic and have very low plant-available pools of magnesium. Past and present sylvicultural, nutritional and/or climatic pressures endured by forest ecosystems can result in net losses of nutrients and ecosystem function losses. Liming with a carbonate product is an alternative to counteract these degradations but the effects of liming on the biogeochemical cycling of nutrients over time and the dynamics of Mg released from liming products are still unclear. We studied the Mg isotopes composition in four paired-treatment experimental beech forest ecosystems in northern France. At the sites where dolomitic lime was applied, the variation in exchangeable and foliar δ26Mg demonstrated the direct contribution of dolomite-derived Mg to the replenishment of topsoil exchangeable pools and to tree nutrition improvement: dolomite-derived Mg was incorporated into the biological cycling which allows its retention on the mid to long term in the soil–plant system. At the sites limed with calcium carbonate, the changes in exchangeable and foliar Mg contents and δ26Mg observed on the long term suggest that the applied product contained a small amount of Mg and/or that Mg cycling changed after liming, to cope in particular with the low Mg availability. Lastly, our results highlight the high δ26Mg of the organic layer (humus): fractionation processes occurring within this layer (mineralization/ageing of organic matter, preferential retention of 26 Mg) could explain these singular signatures that could greatly influence the topsoil Mg exchangeable pools.

Published
2021
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4. Carbon heterogeneities in austenite during Quenching & Partitioning (Q&P) process revealed by in situ High Energy X-Ray Diffraction (HEXRD) experiments

Author

Steve Gaudez, Michel Soler, Frédéric Danoix, Guillaume Geandier, Sébastien Allain, Mohamed Gouné, Institut Jean Lamour (IJL), Université de Lorraine (UL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Labex DAMAS, Université de Lorraine (UL), Groupe de physique des matériaux (GPM), Centre National de la Recherche Scientifique (CNRS)-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)-Normandie Université (NU)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU), ArcelorMittal Maizières Research SA, ArcelorMittal, Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB), Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), This work was supported by the National Research Agency (ANR). The synchrotron experiments were realized in December 2016, under the P160 grant at DESY PETRA P-07 in Hamburg, which is fully acknowledged. The authors want to thank Jean-Christophe Hell for his support during the experiments. The authors would like also to thank MATERALIA cluster (Region Grand Est) for their support., ANR-14-CE07-0029,CAP NANO,Partition du carbone dans les phases ferritiques nanostructurées: cinétiques et microstructures(2014), ANR-11-LABX-0008,DAMAS,Design des Alliages Métalliques pour Allègement des Structures(2011), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), 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)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Université de Rouen Normandie (UNIROUEN), Université de Bordeaux (UB)-Centre National de la Recherche Scientifique (CNRS), and Centre National de la Recherche Scientifique (CNRS)-Université de Bordeaux (UB)

Subjects
Diffraction, Materials science, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, Atom probe, 01 natural sciences, law.invention, [SPI.MAT]Engineering Sciences [physics]/Materials, law, Phase (matter), partitioning, 0103 physical sciences, General Materials Science, steel, X-Ray diffraction, austenite, 010302 applied physics, Quenching, Austenite, Mechanical Engineering, Metals and Alloys, martensite, 021001 nanoscience & nanotechnology, Condensed Matter Physics, chemistry, Mechanics of Materials, Martensite, X-ray crystallography, 0210 nano-technology, Carbon
Abstract

Based on the evolution of the positions and intensities of the diffraction peaks, high energy X-ray diffraction (HEXRD) is recognized as the ultimate method to follow quantitatively in situ phase transformations in steels. However, the possible asymmetricity of diffraction peaks is seldom considered, and is known to bear information. A procedure for quantifying their skewness is proposed. In the case of a third generation high strength steel obtained by quench and partitioning (Q&P), the skewness is shown to be due to carbon heterogeneities at austenite/martensite interfaces developed at nanoscale, in agreement with prior post mortem atom probe tomography (APT) investigations.

Published
2020
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5. Undernutrition combined with dietary mineral oil hastens depuration of stored dioxin and polychlorinated biphenyls in ewes. 1. Kinetics in blood, adipose tissue and faeces

Author

Rey-Cadilhac, Lucille, Cariou, Ronan, Ferlay, Anne, Jondreville, Catherine, Delavaud, Carole, Faulconnier, Yannick, Alcouffe, Sébastien, Faure, Pascal, Marchand, Philippe, Le Bizec, Bruno, Jurjanz, Stefan, Lerch, Sylvain, Unité de Recherches Animal et Fonctionnalités des Produits Animaux (URAFPA), Université de Lorraine (UL)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Unité Mixte de Recherche sur les Herbivores - UMR 1213 (UMRH), VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Laboratoire d'étude des Résidus et Contaminants dans les Aliments (LABERCA), Ecole Nationale Vétérinaire, Agroalimentaire et de l'alimentation Nantes-Atlantique (ONIRIS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Unité Expérimentale Systèmes d'Elevage de Ruminants de Moyenne Montagne (Herbipôle), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and Region Grand-Est 'Centre National Interprofessionnel de l'Economie Laitiere' (CNIEL, Paris, France)

Subjects
Pollutants, Physiology, Science, Excretion, tissu adipeux, dioxine, Dioxins, Biochemistry, fèces, Feces, biphényle polychloré, Dietary Fats, Unsaturated, Medicine and Health Sciences, sang, Environmental Chemistry, Animals, Nutrition, Sheep, Ecology and Environmental Sciences, Malnutrition, Body Weight, Biology and Life Sciences, brebis, Lipids, Polychlorinated Biphenyls, Body Fluids, Diet, Chemistry, Kinetics, Blood, Biological Tissue, Adipose Tissue, [SDV.SA.SPA]Life Sciences [q-bio]/Agricultural sciences/Animal production studies, Physical Sciences, [SDE]Environmental Sciences, Body Burden, Medicine, Environmental Pollutants, Anatomy, Physiological Processes, Oils, Research Article
Abstract

International audience; Food safety crises involving persistent organic pollutants [POPs, e.g. dioxins, polychlorinated biphenyls (PCBs), organochlorine pesticides] lead to systematic slaughter of livestock to prevent their entry into the food chain. Therefore, there is a need to develop strategies to depurate livestock moderately contaminated with POPs in order to reduce such economic and social damages. This study aimed to test a POPs depuration strategy based on undernutrition (37% of energy requirements) combined with mineral oil (10% in total dry matter intake) in nine non-lactating ewes contaminated with 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and PCBs 126 and 153. In order to better understand the underlying mechanisms of the depuration process, POPs kinetics and body lipids dynamics were followed concomitantly over 57-day of depuration in POPs storage (adipose tissue, AT), central distribution (blood) and excretion (faeces) compartments. Faecal POPs concentrations in underfed and mineral oil supplemented ewes increased by 2.0 to 2.6-fold, but not proportionally to lipids concentration which increased by 6-fold, compared to the control ewes. Nonetheless, after 57 days of depuration in undernutrition and mineral oil supplementation, AT POPs concentrations were 1.5 to 1.6-fold higher while serum concentrations remained unchanged compared to the control ewes. This was concomitant with a decrease by 2.7-fold of the AT estimated lipids weight along the depuration period. This reduction of the volume of the storage compartment combined with the increase of POPs faecal excretion in underfed and mineral oil supplemented ewes led to a reduction by 1.5-fold of the PCB 126 AT burden, while no changes were observed for TCDD and PCB 153 burdens (vs. no change for PCB 126 and increases for TCDD and PCB 153 AT burdens in control ewes). The original approach of this study combining the fine description at once of POPs kinetic and of body lipids dynamic improved our understanding of POPs fate in the ruminant.

Published
2020
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6. Undernutrition combined with dietary mineral oil hastens depuration of stored dioxin and polychlorinated biphenyls in ewes. 1. Kinetics in blood, adipose tissue and faeces

Author

Lerch, Sylvain, Cariou, Ronan, Rey-Cadilhac, Lucille, Id, Ronan, Faulconnier, Yannick, Jondreville, Catherine, Roux, Denis, Dervilly-Pinel, Gaud, Le Bizec, Bruno, Jurjanz, Stéfan, Ferlay, Anne, Unité de Recherches Animal et Fonctionnalités des Produits Animaux (URAFPA), Université de Lorraine (UL)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Laboratoire d'étude des Résidus et Contaminants dans les Aliments (LABERCA), Ecole Nationale Vétérinaire, Agroalimentaire et de l'alimentation Nantes-Atlantique (ONIRIS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Unité Mixte de Recherche sur les Herbivores - UMR 1213 (UMRH), VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and Region Grand-Est 'Centre National Interprofessionnel de l'Economie Laitiere' (CNIEL, Paris, France)

Subjects
Physiology, dénutrition, dioxine, Biochemistry, Feces, Animal Products, Animal Cells, Medicine and Health Sciences, Adipocytes, Musculoskeletal System, Connective Tissue Cells, Abdominal Muscles, Wool, Muscles, brebis, Agriculture, Polychlorinated Biphenyls, Lipids, Chemistry, Adipose Tissue, Liver, Connective Tissue, [SDV.SA.SPA]Life Sciences [q-bio]/Agricultural sciences/Animal production studies, Physical Sciences, [SDE]Environmental Sciences, Body Burden, Medicine, Environmental Pollutants, Cellular Types, Anatomy, Research Article, Pollutants, Science, Excretion, Dioxins, biphényle polychloré, Dietary Fats, Unsaturated, Animals, Environmental Chemistry, Nutrition, Sheep, Body Weight, Malnutrition, Ecology and Environmental Sciences, Biology and Life Sciences, Cell Biology, Biological Tissue, Physiological Processes, Oils
Abstract

International audience; Food safety crises involving persistent organic pollutants (POPs) lead to systematic slaughter of livestock to prevent contaminants from entering the food chain. Therefore, there is a need to develop strategies to depurate livestock moderately contaminated with POPs to reduce economic and social damage. This study aimed to test undernutrition (37% of energy requirements) combined with mineral oil (10% in total dry matter intake) in nine non-lactating ewes contaminated with 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and polychlorinated biphenyls (PCBs) 126 and 153 as a strategy to enhance the depuration of POPs through faecal excretion. To better understand the underlying mechanisms of the depuration process, lipophilic POPs and lipid fluxes were co-monitored in various body and excretion compartments. Body compartments (adipose tissues, muscle, liver and blood) and the total empty body were analyzed for lipids and POPs concentrations and burdens at slaughter, as well as excretion compartments (faeces and wool) collected during the depuration period. Decreases in empty body total and lipid weights were 6-fold higher in underfed and supplemented ewes compared to control ewes. In addition, over the depuration period undernutrition and supplementation treatment increased faecal TCDD, PCBs 126 and 153 excretions by 1.4- to 2.1-fold but tended to decrease wool PCB 153 excretion by 1.4-fold. This induced 2- to 3-fold higher decreases in the empty body POPs burdens for underfed and supplemented ewes. Nonetheless, when expressed relative to the calculated initial empty body burdens, burdens at slaughter decreased only slightly from 97%, 103% and 98% for control ewes to 92%, 97% and 94% for underfed and supplemented ones, for TCDD, PCBs 126 and 153, respectively. Fine descriptions at once of POPs kinetic (companion paper 1) and mass balance (companion paper 2), and of body lipid dynamics were very useful in improving our understanding of the fate of POPs in the ruminants.

Published
2020
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7. Microstructure Evolution and Competitive Reactions during Quenching and Partitioning of a Model Fe–C–Mn–Si Alloy

Author

Guillaume Geandier, Samy Aoued, Steve Gaudez, Mohamed Gouné, Frédéric Danoix, Jean-Christophe Hell, Michel Soler, Sébastien Allain, Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB), Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Groupe de physique des matériaux (GPM), Centre National de la Recherche Scientifique (CNRS)-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)-Normandie Université (NU)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU), Institut Jean Lamour (IJL), Université de Lorraine (UL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), ArcelorMittal Maizières Research SA, ArcelorMittal, This work was partly carried out owing the experimental GENESIS platform. GENESIS is supported by the region Haute-Normandie, the Metropole Rouen Normandie, the CNRS via LABEX EMC, and the French National Research Agency as part of the program 'Investissement d’Avenir' ANR 11-EQPX-002. The synchrotron experiments were realized in December 2016 under the P160 grant at DESY PETRA P-07 in Hamburg, which is fully acknowledged. The authors would like also to thank MATERALIA cluster (Region Grand Est) for their support., ANR-14-CE07-0029,CAP NANO,Partition du carbone dans les phases ferritiques nanostructurées: cinétiques et microstructures(2014), ANR-11-LABX-0008,DAMAS,Design des Alliages Métalliques pour Allègement des Structures(2011), Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), 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)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Labex DAMAS, Université de Lorraine (UL), and ANR-11-EQPX-0020,GENESIS,Groupe d'Etudes et de Nanoanalyses des Effets d'IrradiationS(2011)

Subjects
lcsh:TN1-997, Materials science, Bainite, Alloy, chemistry.chemical_element, Thermodynamics, 02 engineering and technology, Atom probe, engineering.material, Lath, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, law.invention, [SPI]Engineering Sciences [physics], law, partitioning, 0103 physical sciences, General Materials Science, ddc:530, high-energy X-ray diffraction, lcsh:Mining engineering. Metallurgy, 010302 applied physics, Quenching, Austenite, Metals and Alloys, 021001 nanoscience & nanotechnology, atom probe tomography, chemistry, Martensite, steels, engineering, quenching and partitioning, 0210 nano-technology, Carbon
Abstract

The mechanisms behind the carbon enrichment of austenite during quenching and partitioning are still a matter of debate. This work investigates the microstructural evolution during the quenching and partitioning of a model Fe&ndash, C&ndash, Mn&ndash, Si alloy by means of in situ high energy X-ray diffraction (HEXRD) atom probe tomography, and image analysis. The ultra-fast time-resolved quantitative information about phase transformations coupled with image analysis highlights the formation of carbide-free BCT bainite, which is formed within a very short range during the reheating and partitioning step. Its transformation rate, which is a better indicator than the intrinsic volume fraction, depends on the quenching temperature (QT). It is shown to decrease with decreasing QT, from 45% at QT = 260 &deg, C to 20% at QT = 200 &deg, C. As a consequence, a significant part of the carbon enrichment observed in austenite can be attributed to bainite transformation. Furthermore, a large part of carbon was shown to be trapped into martensite. Both the formation of Fe2.6C iron carbides and the segregation of carbon on lath boundaries in martensite were highlighted by atom probe tomography. The energy for carbon segregation was determined to be 0.20 eV, and the carbon concentration on the lath boundaries was obtained to be around 25 at %. Therefore, the carbon enrichment of austenite is the result of competitive reactions such as carbon partitioning from martensite, bainite transformation, and carbon trapping in martensite.

Published
2020
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8. A sub-individual multilevel approach for an integrative assessment of CuO nanoparticle effects on Corbicula fluminea *

Author

Mélanie Auffan, Vanessa Koehlé-Divo, Catherine Mouneyrac, Bénédicte Sohm, Daniele Pauly, Laure Giamberini, Sandrine Pain-Devin, Justine Flayac, Simon Devin, Laboratoire Interdisciplinaire des Environnements Continentaux (LIEC), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Centre européen de recherche et d'enseignement des géosciences de l'environnement (CEREGE), Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Collège de France (CdF)-Institut national des sciences de l'Univers (INSU - CNRS)-Aix Marseille Université (AMU)-Institut National de la Recherche Agronomique (INRA), Mer, molécules et santé EA 2160 (MMS), Le Mans Université (UM)-Université de Nantes - UFR des Sciences Pharmaceutiques et Biologiques, Université de Nantes (UN)-Université de Nantes (UN), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Aix Marseille Université (AMU)-Institut national des sciences de l'Univers (INSU - CNRS)-Collège de France (CdF (institution))-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS)-Institut National de la Recherche Agronomique (INRA), Université de Nantes - UFR des Sciences Pharmaceutiques et Biologiques, Université de Nantes (UN)-Université de Nantes (UN)-Le Mans Université (UM)-Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), French National Research Agency (ANR) [ANR-3-CESA-0014/NANOSALT], CPER Lorraine-ZAM (Contrat Projet Etat Region Lorraine, Zone Atelier Moselle) Région Grand-Est, Centre National de la Recherche Scientifique (CNRS), French Research ministry, Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut de Recherche pour le Développement (IRD)-Institut National de la Recherche Agronomique (INRA)-Aix Marseille Université (AMU)-Collège de France (CdF (institution))-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Le Mans Université (UM)-Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Université de Nantes - UFR des Sciences Pharmaceutiques et Biologiques, Region Grand-Est, Centre National de la Recherche Scientifique (CNRS)European Commission, Ministry of Research, France, and ANR-13-CESA-0014,nanoSALT,Nanomatériaux à travers un gradient de salinité: exposition et effets ecotoxicologiques au cours de leur cycle de vie (production, utilisation, fin de vie)(2013)

Subjects
Thioredoxin Reductase 1, Antioxidant, 010504 meteorology & atmospheric sciences, Copper oxide nanoparticles (CuO NP), Biochemical effects, Health, Toxicology and Mutagenesis, medicine.medical_treatment, Defence mechanisms, Metal Nanoparticles, Fresh Water, 010501 environmental sciences, Toxicology, 01 natural sciences, Antioxidants, Gene expression, medicine, Animals, Corbicula fluminea, Gene, Corbicula, 0105 earth and related environmental sciences, Filtration rate, Glutathione Peroxidase, biology, Chemistry, Superoxide Dismutase, Bivalve, General Medicine, Metabolism, biology.organism_classification, Catalase, Pollution, [SDE.ES]Environmental Sciences/Environmental and Society, Hsp70, Biochemistry, Molecular Response, [SDE]Environmental Sciences, Cats, Copper, Water Pollutants, Chemical
Abstract

International audience; Because they are widely used, copper oxide nanoparticles (CuO NPs) are likely to enter the aquatic environment and then reach the sediment. We have examined the effect of CuO NPs in the freshwater endobenthic bivalve Corbicula fluminea. Some previous studies have investigated effects at biochemical and physiological levels, but molecular endpoints are still poorly studied despite they are sensitive in early detection of NPs effect. In the present study, we have investigated short-term effects (96 h) of CuO NP (12, 30 nm; 0, 20 and 100 mg/L) using molecular endpoints as well as more conventional biochemical and physiological markers. The expression of antioxidant (CuZnSOD, MnSOD, Cat, Se-GPx, Trxr) and antitoxic (GST-Pi, HSP70, MT, Pgp, MRP1) related genes was measured at the mRNA level while anti-oxidant (SOD, TAC) and antitoxic (GST, ACP) defenses, energetic reserves and metabolism (ETS, Tri, LDH), and cellular damages (LPO) were assessed using a biochemical approach. The filtration rate measured at 96 h provided information at the physiological scale. Gene expression and filtration rate were responsive to CuO NPs but the effects differed according to the NP size. The results suggest that defense mechanisms may have been set up following 30 nm-NP exposure. The response to 12 nm-NP was lower but still showed that exposure to 12 nm-NP led to activation of cellular elimination mechanisms. The lowering of the filtration rate may have protected the organisms from the contamination. However, this raised the question of further repercussions on organism biology. Together, the results (i) indicate that CuO NP may exert effects at different levels even after a short-term exposure and (ii) point out the precocity of molecular response.

Published
2019
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9. Chalcogenide glasses as a playground for the application of first-principles molecular dynamics to disordered materials

Author

Mauro Boero, Evelyne Martin, Guido Ori, Assil Bouzid, Sébastien Le Roux, Carlo Massobrio, Ori, Guido, Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), Physique - IEMN (PHYSIQUE - IEMN), Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-Centrale Lille-Institut supérieur de l'électronique et du numérique (ISEN)-Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF), Université Louis Pasteur - Strasbourg I-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), Université de Strasbourg (UNISTRA)-Matériaux et nanosciences d'Alsace (FMNGE), Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA), Physique-IEMN (PHYSIQUE-IEMN), 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 AcknowledgementsM.B. thanks Pôle HPC, Equipex Equip@Meso/CPER Alsacalcul atthe University of Saskatchewan, and Grand Equipement National deCalcul Intensif (GENCI) under allocation DARI-A2 A0060906092. G.O.acknowledges the Fédération de Recherche en Matériaux etNanosciences Region Grand-Est (project HARWEST) and the SeedMoney program of Eucor - The European Campus (project MEDIA) forfinancial support

Subjects
Glass structure, Computer science, Chalcogenide, 02 engineering and technology, [SPI.MAT] Engineering Sciences [physics]/Materials, 010402 general chemistry, 01 natural sciences, London dispersion force, amorphous materials, [SPI.MAT]Engineering Sciences [physics]/Materials, Molecular dynamics, symbols.namesake, chemistry.chemical_compound, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, General Materials Science, Statistical physics, glass structure, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, electronic structure, molecular dynamics, [PHYS.COND.CM-MS] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, chemistry, symbols, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], chalcogenides, Computational material science, van der Waals force, 0210 nano-technology
Abstract

International audience; An overview of the major first-principles methods used to simulate condensed phases is presented, with special emphasis on chalcogenide glasses. The scope of this review article is to offer a survey of fundamental algorithms and techniques, accompanied by a few recent examples particularly representative of computational materials science applied to disordered chalcogenide phases. Special attention is devoted to the inclusion of long-range van der Waals dispersion forces, treatment of the exact exchange, dynamical simulations and extraction of optical and dielectric properties. Machine learning techniques are introduced as recent forefront applications of first-principle methods. In this latter case, accurate quantum-mechanics based simulations are crucial to generate a data base exploited by neuronal-network type algorithms to create accurate interatomic potentials (force fields) allowing for large and long-lasting simulations of realistic disordered materials. The atomic-level knowledge provided by the combination of high-performance computing and advanced computational methods pave the route for a rational approach to the design of novel chalcogenides possessing tuned properties for specific applications in next-generation devices.

Published
2019
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10. Recovery of 3-hydroxypropionic acid from organic phases after reactive extraction with amines in an alcohol-type solvent

Author

Ioan-Cristian Trelea, Florian Chemarin, Marwen Moussa, Florent Allais, Violaine Athès, Centre Européen de Biotechnologies et Bioéconomie (CEBB), Agro-Biotechnologies Industrielles (ABI), AgroParisTech, Génie et Microbiologie des Procédés Alimentaires (GMPA), Institut National de la Recherche Agronomique (INRA)-AgroParisTech, Region Grand-Est, Conseil Departemental de la Marne, and Grand Reims

Subjects
Standard enthalpy of reaction, diluent swing, Inorganic chemistry, back-extraction, temperature swing, Salt (chemistry), Filtration and Separation, Alcohol, 02 engineering and technology, 3-Hydroxypropionic acid, Diluent, Analytical Chemistry, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, chemistry.chemical_classification, pH swing, Extraction (chemistry), 021001 nanoscience & nanotechnology, 6. Clean water, Solvent, chemistry, Amine gas treating, 0210 nano-technology
Abstract

International audience; Reactive extraction is a well-known method for the recovery of organic acids from dilute streams. The extraction through complex formation with amines is followed by its back-extraction. Their affinity for amine extractants makes their back-extraction a limiting step. The case of 3-hydroxypropionic acid is addressed here. Three methods were compared: salts additions, diluent swing and temperature swing. Mineral bases led to complete 3-HP recovery but as a salt. Diluent swing was tested using n-hexane as the anti-solvent. Results showed that increasing the n-hexane content led to a great increase of 3-HP recovery. However, high recovery yields are associated with high dilutions. The temperature was varied from 4 to 140 °C and it led to a high decrease of the acid-amine complex formation. Our thermochemical study showed an apparent heat of reaction of-25.3 kJ/mol and, at 140 °C, 78% of 3-HP can be recovered in a single step.

Published
2019
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11. Element content and expression of genes of interest in guard cells are connected to spatiotemporal variations in stomatal conductance

Author

Cyril Buré, Irène Hummel, Oliver Brendel, Nathalie Aubry, Ivana Tomášková, David Cohen, Didier Le Thiec, Maxime Durand, SILVA (SILVA), Institut National de la Recherche Agronomique (INRA)-AgroParisTech-Université de Lorraine (UL), University of Life Sciences Prague, FP7 Food, Agriculture and Fisheries, Biotechnology Watbio/311929, Institut National de la Recherche Agronomique (INRA), Region Grand-Est, French National Research Agency (ANR) ANR-12-LABXARBRE-01 European Union (EU), Le Thiec, Didier, Institut National de la Recherche Agronomique (INRA)-Université de Lorraine (UL)-AgroParisTech, and Czech University of Life Sciences Prague (CZU)

Subjects
0106 biological sciences, 0301 basic medicine, Physiology, [SDV]Life Sciences [q-bio], Plant Science, 01 natural sciences, Trees, chemistry.chemical_compound, DROUGHT TOLERANCE, HYBRID POPLAR, Gene Expression Regulation, Plant, Guard cell, Arabidopsis thaliana, Abscisic acid, plant stomata, Plant Proteins, biology, droughts, populus euramericana, food and beverages, ABSCISIC-ACID, ANION CHANNEL SLAC1, Proton-Translocating ATPases, elements, Populus, RNA, Plant, LIGHT-INTENSITY, expression des gènes, variabilité spatio temporelle, Stomatal conductance, DNA, Complementary, Genotype, Plant Development, Aquaporin, WATER TRANSPORT, Black poplar, 03 medical and health sciences, ADAXIAL STOMATA, Botany, black poplar, conductance stomatique, Water transport, fungi, HYDRAULIC CONDUCTIVITY, Water, Plant Transpiration, PLASMA-MEMBRANE AQUAPORINS, biology.organism_classification, abaxial and adaxial surfaces, gene expression, stomatal conductance, ARABIDOPSIS-THALIANA, Plant Leaves, Light intensity, 030104 developmental biology, chemistry, populus nigra, Electron Probe Microanalysis, 010606 plant biology & botany
Abstract

Element content and expression of genes of interest on single cell types, such as stomata, provide valuable insights into their specific physiology, improving our understanding of leaf gas exchange regulation. We investigated how far differences in stomatal conductance (g(s)) can be ascribed to changes in guard cells functioning in amphistomateous leaves. g(s) was measured during the day on both leaf sides, on well-watered and drought-stressed trees (two Populus euramericana Moench and two Populus nigra L. genotypes). In parallel, guard cells were dissected for element content and gene expressions analyses. Both were strongly arranged according to genotype, and drought had the lowest impact overall. Normalizing the data by genotype highlighted a structure on the basis of leaf sides and time of day both for element content and gene expression. Guard cells magnesium, phosphorus, and chlorine were the most abundant on the abaxial side in the morning, where g(s) was at the highest. In contrast, genes encoding H+-ATPase and aquaporins were usually more abundant in the afternoon, whereas genes encoding Ca2+-vacuolar antiporters, K+ channels, and ABA-related genes were in general more abundant on the adaxial side. Our work highlights the unique physiology of each leaf side and their analogous rhythmicity through the day.

Published
2019
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12. Ferulic acid derivatives used as biobased powders for a convenient plasticization of polylactic acid in continuous hot-melt process

Author

Antoine Gallos, Samir Kasmi, Johnny Beaugrand, Gabriel Paës, Florent Allais, Fractionnement des AgroRessources et Environnement (FARE), Université de Reims Champagne-Ardenne (URCA)-Institut National de la Recherche Agronomique (INRA), Agro-Biotechnologies Industrielles (ABI), AgroParisTech, Unité de recherche sur les Biopolymères, Interactions Assemblages (BIA), Institut National de la Recherche Agronomique (INRA), Region Grand Est, Conseil Departemental de la Marne, Fractionnement des AgroRessources et Environnement - UMR-A 614 (FARE), Université de Reims Champagne-Ardenne (URCA)-Institut National de la Recherche Agronomique (INRA)-SFR Condorcet, and Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Polymers and Plastics, MIGRATION, [SDV]Life Sciences [q-bio], General Physics and Astronomy, plastification, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Ferulic acid, chemistry.chemical_compound, Polylactic acid, Materials Chemistry, Thermal stability, acide polylactique, POLY(LACTIC ACID), PHOSPHITE, chemistry.chemical_classification, SOLUBILITY PARAMETERS, Organic Chemistry, Plasticizer, Polymer, MECHANICAL-PROPERTIES, CHAIN EXTENSION, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Hildebrand solubility parameter, extrusion, chemistry, Chemical engineering, acide férulique, STARCH, Extrusion, 0210 nano-technology, Glass transition, FIBERS, ferulic acid
Abstract

Plasticizers are additives used to soften polymers, but most of them are oily or waxy and are difficult to process in a continuous hot-melt process. The plasticizing effect of four functionalized ferulic acid derivatives designed with controlled solubility parameters was investigated upon the study of both the thermal stability and the mechanical properties of polylactic acid (PLA) blends. The synthesized powders were incorporated into PLA through a continuous hot-melt process (extrusion) allowing the derivatives to turn from crystalline to an amorphous state. Such phase transition permitted the derivatives to act as plasticizers, reaching a reduction of the Young's modulus of PLA by 40% for one of the derivatives blended at 20 wt%. Another derivative decreased the glass transition of the PLA from 56.6 °C to 26.3 °C at the same content. These works demonstrate the interest of using phase transition additives to ease the mixing of efficient plasticizers by hot-melt processing.

Published
2019
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13. The structure of Trametes versicolor glutathione transferase Omega 3S bound to its conjugation product glutathionyl-phenethylthiocarbamate reveals plasticity of its active site

Author

Thomas Perrot, Mélanie Morel-Rouhier, Mathieu Schwartz, Claude Didierjean, Eric Gelhaye, Frédérique Favier, Guillermo Mulliert, Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Interactions Arbres-Microorganismes (IAM), Université de Lorraine (UL)-Institut National de la Recherche Agronomique (INRA), Region Grand Est CPER 2014-2020, University of Lorraine, Centre National de la Recherche Scientifique (CNRS), French National Research Agency (ANR) ANR-11-LAS-0002-01, Universite de Lorraine, PEPS-Mirabelle 2016, Institut National de la Recherche Agronomique (INRA)-Université de Lorraine (UL), and Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)

Subjects
Models, Molecular, Conformational change, Phenethyl isothiocyanate, Stereochemistry, liaison hydrophobe, [SDV]Life Sciences [q-bio], Context (language use), champignon lignivore, Biochemistry, 03 medical and health sciences, chemistry.chemical_compound, trametes versicolor, Isothiocyanates, glutathione transferase, Transferase, Binding site, glutathion, Molecular Biology, polyphenols, 030304 developmental biology, X-ray crystallography, Trametes, 0303 health sciences, Binding Sites, Molecular Structure, biology, wood destroying fungi, 030302 biochemistry & molecular biology, Active site, Glutathione, chemistry, Isothiocyanate, Biocatalysis, biology.protein, Protein Structure Reports, isothiocyanate
Abstract

Trametes versicolor glutathione transferase Omega 3S (TvGSTO3S) catalyzes the conjugation of isothiocyanates (ITC) with glutathione (GSH).Previously, this isoform was investigated in depth both biochemically and structurally. Structural analysis of complexes revealed the presence of a GSH binding site (G site) and a deep hydrophobic binding site (H site) able to bind plant polyphenols. In the present study, crystals of apo TvGSTO3S were soaked with glutathionyl-phenethylthiocarbamate, the product of the reaction between GSH and phenethyl isothiocyanate (PEITC).On the basis of this crystal structure, we show that the phenethyl moiety binds in a new site at loop beta(2)-alpha(2) while the glutathionyl part exhibits a particular conformation that occupies both the G site and the entrance to the H site. This binding mode is allowed by a conformational change of the loop beta(2)-alpha(2) at the enzyme active site. It forms a hydrophobic slit that stabilizes the phenethyl group at a distinct site from the previously described H site.Structural comparison of TvGSTO3S with drosophila DmGSTD2 suggests that this flexible loop could be the region that binds PEITC for both isoforms. These structural features are discussed in a catalytic context.

Published
2019
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14. Chemo-enzymatic synthesis of renewable sterically-hindered phenolic antioxidants with tunable polarity from lignocellulose and vegetal oil components

Author

Sandra Domenek, Florent Allais, Louis Hollande, Agro-Biotechnologies Industrielles (ABI), AgroParisTech, Ingénierie, Procédés, Aliments (GENIAL), Institut National de la Recherche Agronomique (INRA)-AgroParisTech, Université Paris Saclay (COmUE), Grand Reims, Conseil General de la Marne, Region Grand Est, and Allais, Florent

Subjects
Antioxidant, antioxidant, DPPH, medicine.medical_treatment, [SDV]Life Sciences [q-bio], CAL-B, 02 engineering and technology, Lignin, 7. Clean energy, 01 natural sciences, Antioxidants, lcsh:Chemistry, ferulic acid, fatty acid ethyl esters, Ferulic acid, chemistry.chemical_compound, [SDV.IDA]Life Sciences [q-bio]/Food engineering, Organic chemistry, lcsh:QH301-705.5, Spectroscopy, Candida, biology, General Medicine, 021001 nanoscience & nanotechnology, Computer Science Applications, 0210 nano-technology, Thermogravimetric analysis, Coumaric Acids, 010402 general chemistry, Article, Catalysis, Fungal Proteins, Inorganic Chemistry, Phenols, Glycerol, medicine, [SDV.BV]Life Sciences [q-bio]/Vegetal Biology, Thermal stability, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry, Molecular Biology, Esterification, Organic Chemistry, Lipase, Butylated Hydroxytoluene, biology.organism_classification, 0104 chemical sciences, lcsh:Biology (General), lcsh:QD1-999, chemistry, Candida antarctica, Oils
Abstract

Despite their great antioxidant activities, the use of natural phenols as antioxidant additives for polyolefins is limited owing to their weak thermal stability and hydrophilic character. Herein, we report a sustainable chemo-enzymatic synthesis of renewable lipophilic antioxidants specifically designed to overcome these restrictions using naturally occurring ferulic acid (found in lignocellulose) and vegetal oils (i.e., lauric, palmitic, stearic acids, and glycerol) as starting materials. A predictive Hansen and Hildebrand parameters-based approach was used to tailor the polarity of newly designed structures. A specific affinity of Candida antarctica lipase B (CAL-B) towards glycerol was demonstrated and exploited to efficiently synthesized the target compounds in yields ranging from 81 to 87%. Antiradical activity as well as radical scavenging behavior (H atom-donation, kinetics) of these new fully biobased additives were found superior to that of well-established, commercially available fossil-based antioxidants such as Irganox 1010&reg, and Irganox 1076&reg, Finally, their greater thermal stabilities (302 &lt, Td5% &lt, 311 &deg, C), established using thermal gravimetric analysis, combined with their high solubilities and antioxidant activities, make these novel sustainable phenolics a very attractive alternative to current fossil-based antioxidant additives in polyolefins.

Published
2018
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15. Detoxification of highly acidic hemicellulosic hydrolysate from wheat straw by diananofiltration with a focus on phenolic compounds

Author

Andreia R. S. Teixeira, Marie-Laure Lameloise, Marielle Bouix, Axel Fayet, Florent Allais, Agro-Biotechnologies Industrielles (ABI), AgroParisTech, Université Paris Saclay (COmUE), Génie et Microbiologie des Procédés Alimentaires (GMPA), Institut National de la Recherche Agronomique (INRA)-AgroParisTech, Ingénierie, Procédés, Aliments (GENIAL), Region Grand Est, and Conseil Departemental de la Marne and Grand Reims

Subjects
[SDV]Life Sciences [q-bio], Filtration and Separation, 02 engineering and technology, 010501 environmental sciences, Furfural, 01 natural sciences, Biochemistry, Diafiltration, Hydrolysate, Acetic acid, chemistry.chemical_compound, Hemicellulosic hydrolysate, [SDV.IDA]Life Sciences [q-bio]/Food engineering, Osmotic pressure, General Materials Science, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry, 0105 earth and related environmental sciences, Steam explosion, Chromatography, food and beverages, Sulfuric acid, Straw, 021001 nanoscience & nanotechnology, Nanofiltration, Phenolic compounds, chemistry, 0210 nano-technology, Detoxification
Abstract

International audience; Nanofiltration was studied for detoxification of lignocellulose hydrolysates obtained in harsh conditions. A hemicellulosic hydrolysate obtained from sulfuric acid steam explosion of wheat straw and presenting very low pH ( = 1) and high osmotic pressure (28 bar) was studied and 8 inhibitory compounds were followed, among which 4 phenolic compounds. Several polymeric nanofiltration membranes were compared for separation performances and permeabilities; DK membrane (GE Osmonics) proved suitable with high rejection of sugars ( > 99%) and lower rejections of inhibitors. Acetic acid and furfural were quasi-fully transmitted whereas the rejection of compounds ranked as follow: HMF (5-hydroxymethyl-furfural) < coumaric acid < levulinic acid < vanillin < ferulic acid < syringaldehyde with values of 40%, 50%, 60%, 80%, 90% and 98%, respectively, at a permeate flux of 14 L h(-1) m(-2). Diafiltration was carried out at a transmembrane pressure of 26 bar until 3 DV (Diafiltration Volume) to complete detoxification, and continuous and sequential-dilution modes were compared. Thanks to the permeability of the membrane to the monovalent form of sulfuric acid HSO4-, effective transmembrane pressure was increased and pH reached 2. At 3 DV, both modes showed removal performances between 92% (acetic acid and furfural) and 25% (syringaldehyde). Irreversible fouling was observed, leading to 30% permeability loss after diafiltration.

Published
2018
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