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1. The British Rhinology Society National COVID-19 Study: Resuming Elective Surgery

Author: Sridhayan Mahalingam, Richard Green, Mohd Afiq Mohd Slim, Anton Alatsatianos, Yujay Ramakrishnan, Ben Stew, Claire Hopkins, and on behalf of 245 collaborative authors
Subjects: Rhinology, medicine.medical_specialty, Coronavirus disease 2019 (COVID-19), business.industry, General surgery, covid, General Medicine, lcsh:Otorhinolaryngology, 01 natural sciences, lcsh:RF1-547, 010104 statistics & probability, 03 medical and health sciences, 0302 clinical medicine, elective surgery, medicine, rhinology, 0101 mathematics, Elective surgery, 030223 otorhinolaryngology, business
Abstract: Background: As elective services resumed in the aftermath of the first wave of the SARS-CoV-2 pandemic, the British Rhinology Society and Juniors Committees carried out a national prospective study in order to assess and optimise safety and efficacy of surgery. Methodology: Data from 1063 cases was collected from 111 centres in the United Kingdom (excluding Northern Ireland) within the study period (1st June – 14th August 2020), and a three week follow-up period to assess whether there were any cases of SARS-CoV-2 amongst patients and staff. Results: 89.2% of procedures took place in England. 90.6% of patients had minimal comorbidities (ASA Grade 1 or 2). 98.4% of patients were known to have a COVID negative status prior to surgery, with the majority (99.8%) investigated through Viral PCR alone. The most common form of pre-operative shielding was to self-isolate for 14 days (82.5% of cases). 32.6% of cases were performed in an alternative theatre environment, and in 5.3% the private sector was used for NHS patients. In 21.6% of procedures, unfamiliar anaesthetic teams were used, and in 19.2% unfamiliar theatre teams. There was a higher probability of unfamiliar theatre staff or anaesthetist, when operating in an alternative theatre environment. Trainees were not present in theatre in 24.2% of cases. Full PPE (Personal Protective Equipment) was worn by the operating surgeon in 64.1% of cases. No patients or staff were reported to have developed SARS-CoV-2 in the three week period following surgery. Intra-operative challenges were reported in 19.7% of cases and were primarily associated with impaired communication (8.8%) or impaired vision (6.9%). There was a higher chance of challenges reported when unfamiliar theatre teams were present. Conclusions: This data suggests that overall, the resumption of rhinological elective services has been performed safely with no cases of SARS-CoV-2 reported in patients or staff. We must consider the challenges of operating in unfamiliar environments together with surgical and/or anaesthetic teams, as well as the impact on training.
Published: 2021

2. Spin caloritronics in a CrBr$_3$-based magnetic van der Waals heterostructure

Author: Liu, Tian, Peiro, Julian, de Wal, Dennis K., Leutenantsmeyer, Johannes C., Guimarães, Marcos H. D., van Wees, Bart J., work, These authors contributed equally to this, and Physics of Nanodevices
Subjects: Materials science, Condensed matter physics, Condensed Matter - Mesoscale and Nanoscale Physics, THERMAL-CONDUCTIVITY, FOS: Physical sciences, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, TRANSPORT, Magnetic field, symbols.namesake, Magnetization, Ferromagnetism, Magnet, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), 0103 physical sciences, Thermoelectric effect, symbols, Condensed Matter::Strongly Correlated Electrons, van der Waals force, 010306 general physics, 0210 nano-technology, Joule heating, Nernst effect
Abstract: The recently reported magnetic ordering in insulating two-dimensional (2D) materials, such as chromium triiodide (CrI$_3$) and chromium tribromide (CrBr$_3$), opens new possibilities for the fabrication of magneto-electronic devices based on 2D systems. Inevitably, the magnetization and spin dynamics in 2D magnets are strongly linked to Joule heating. Therefore, understanding the coupling between spin, charge and heat, i.e. spin caloritronic effects, is crucial. However, spin caloritronics in 2D ferromagnets remains mostly unexplored, due to their instability in air. Here we develop a fabrication method that integrates spin-active contacts with 2D magnets through hBN encapsulation, allowing us to explore the spin caloritronic effects in these materials. The angular dependence of the thermal spin signal of the CrBr$_3$/Pt system is studied, for different conditions of magnetic field and heating current. We highlight the presence of a significant magnetic proximity effect from CrBr$_3$ on Pt revealed by an anomalous Nernst effect in Pt, and suggest the contribution of the spin Seebeck effect from CrBr$_3$. These results pave the way for future magnonic devices using air-sensitive 2D magnetic insulators.
Published: 2020

3. Grand Challenges in Protoplanetary Disc Modelling

Author: Haworth, Thomas J., Ilee, John D., Forgan, Duncan H., Facchini, Stefano, Price, Daniel J., Boneberg, Dominika M., Booth, Richard A., Clarke, Cathie J., Gonzalez, Jean-François, Hutchison, Mark A., Kamp, Inga, Laibe, Guillaume, Lyra, Wladimir, Meru, Farzana, Mohanty, Subhanjoy, Panić, Olja, Rice, Ken, Suzuki, Takeru, Teague, Richard, Walsh, Catherine, Woitke, Peter, authors, Community, Centre de Recherche Astrophysique de Lyon (CRAL), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), European Project: 291227,EC:FP7:ERC,ERC-2011-ADG_20110209,ECOGAL(2012), European Project: 341137,EC:FP7:ERC,ERC-2013-ADG,DISCSIM(2014), Astronomy, Haworth, Thomas [0000-0002-9593-7618], Booth, Richard [0000-0002-0364-937X], Clarke, Catherine [0000-0003-4288-0248], Apollo - University of Cambridge Repository, European Research Council, and University of St Andrews. School of Physics and Astronomy
Subjects: ADAPTIVE-MESH-REFINEMENT, Protoplanetary disks, DUSTY GAS, Engineering, Magnetohydrodynamics (MHD), T-NDAS, Protoplanetary discs, GRAVITATING ACCRETION DISCS, 01 natural sciences, CARLO RADIATIVE-TRANSFER, D-TYPE EXPANSION, formation [Planetary systems], Radiative Transfer, QB Astronomy, 010303 astronomy & astrophysics, QC, Grand Challenges, Astrochemistry, QB, Earth and Planetary Astrophysics (astro-ph.EP), astrochemistry, protoplanetary disks, Dust, Chemistry, Astrophysics - Solar and Stellar Astrophysics, Protoplanetary disc, Physical Sciences, SMOOTHED PARTICLE HYDRODYNAMICS, VERTICAL SHEAR INSTABILITY, [PHYS.ASTR.EP]Physics [physics]/Astrophysics [astro-ph]/Earth and Planetary Astrophysics [astro-ph.EP], FOS: Physical sciences, Astronomy & Astrophysics, magnetohydrodynamics (MHD), SHOCKED CIRCUMSTELLAR ENVELOPES, 0103 physical sciences, Radiative transfer, Solar and Stellar Astrophysics (astro-ph.SR), LIMITED DIFFUSION-APPROXIMATION, Science & Technology, X-RAY-RADIATION, Planetary Systems: Formation, 010308 nuclear & particles physics, business.industry, Astronomy and Astrophysics, [PHYS.ASTR.SR]Physics [physics]/Astrophysics [astro-ph]/Solar and Stellar Astrophysics [astro-ph.SR], Data science, 0201 Astronomical And Space Sciences, QC Physics, Space and Planetary Science, Hydrodynamics, business, Astrophysics - Earth and Planetary Astrophysics
Abstract: The Protoplanetary Discussions conference --- held in Edinburgh, UK, from 7th --11th March 2016 --- included several open sessions led by participants. This paper reports on the discussions collectively concerned with the multiphysics modelling of protoplanetary discs, including the self-consistent calculation of gas and dust dynamics, radiative transfer and chemistry. After a short introduction to each of these disciplines in isolation, we identify a series of burning questions and grand challenges associated with their continuing development and integration. We then discuss potential pathways towards solving these challenges, grouped by strategical, technical and collaborative developments. This paper is not intended to be a review, but rather to motivate and direct future research and collaboration across typically distinct fields based on \textit{community driven input}, to encourage further progress in our understanding of circumstellar and protoplanetary discs., Accepted for publication in PASA. 25 pages
Published: 2016

4. 3D numerical simulation of seagrass movement under waves and currents with GPUSPH

Author: Thibault Oudart, Samuel Meulé, Philippe Larroudé, Caroline Le Bouteiller, Anne Eléonore Paquier, Robert A. Dalrymple, Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), Centre européen de recherche et d'enseignement des géosciences de l'environnement (CEREGE), Institut de Recherche pour le Développement (IRD)-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)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Laboratoire des Écoulements Géophysiques et Industriels [Grenoble] (LEGI), 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), Erosion torrentielle neige et avalanches (UR ETGR (ETNA)), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Johns Hopkins University (JHU), The authors gratefully acknowledge the support of the NVIDIA Corporation who donated the GTX 780 GPU used for this research.This research was partially supported by the LabEx Tec 21 program (Investissement d’Avenir - grant agreement ANR-11-LABX-0030) and by financial support from the 'Agence de l'Eau RM&C' through the CANOPé research program. AEP was partially supported by theFrench National Research Agency (ANR) through ANR @RActionchair medLOC (ANR-14-ACHN-0007-01- project leader Thomas Stieglitz). The authors also thank M. Luhar and H. Nepf (from MIT) for the exchange of information and data., and ANR-14-ACHN-0007,medLOC,Revisiter la connectivité terre-mer - une approche intégrée pour mieux comprendre les effets des eaux souterraines sur les écosystèmes côtiers(2014)
Subjects: Stratigraphy, GPUSPH, Current, 0207 environmental engineering, interaction, Storm surge, 02 engineering and technology, 010501 environmental sciences, 01 natural sciences, Smoothed-particle hydrodynamics, Fluid–structure interaction, [PHYS.MECA.MEFL]Physics [physics]/Mechanics [physics]/Fluid mechanics [physics.class-ph], 14. Life underwater, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, 020701 environmental engineering, 0105 earth and related environmental sciences, Computer simulation, Geology, Vegetation, Mechanics, Numerical seagrass movement, Coastal erosion, Flume, Current (stream), Fluid structure, Waves, Environmental science
Abstract: International audience; The current study tries a new approach to simulating interactions between waves and seagrass through Smoothed Particle Hydrodynamics (SPH). In this model, the plants are defined as a solid that respects Hooke's law, and are assumed to have direct interaction with the fluid. Given the characteristics of the SPH method, especially in terms of computational time, the dimensions of the simulations were limited. The first goal of the current study was to optimize the approach to avoid reaching certain limits such as the rupture of the simulated plant. Plant movements under waves and/or currents have been studied by several authors in various in-situ, physical, and numerical experiments concerning various vegetation species, thus proving that plant movements can be successfully reproduced by SPH 2D/3D. Manning's roughness coefficient, n, was calculated to confirm that the results were in accordance with what had been measured in flume studies. Even though there is still room for improvement, it is shown that this method can be used to estimate Manning's coefficient for coastal vegetation (seagrass and saltmarsh vegetation) and to greatly improve the modeling and forecasting of coastal erosion and storm surge risks by including the effects of vegetation in integrated models.
Published: 2021

5. Les coûts économiques des invasions biologiques en Afrique : une menace croissante mais négligée ?

Author: Franck Courchamp, Justice Tambo, Gauthier Dobigny, Elena Angulo, Ana Novoa, Cheikh Abdou Khadre Mbacké Dia, Christophe Diagne, Desika Moodley, Tasnime Adamjy, Boris Leroy, Ahmed Taheri, Anna J. Turbelin, Ecologie Systématique et Evolution (ESE), AgroParisTech-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Department of Invasion Ecology, Institute of Botany, Czech Academy of Sciences [Prague] (CAS), Biologie des Organismes et Ecosystèmes Aquatiques (BOREA), Centre National de la Recherche Scientifique (CNRS)-Université des Antilles (UA)-Muséum national d'Histoire naturelle (MNHN)-Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU), Centre de Biologie pour la Gestion des Populations (UMR CBGP), 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 de Recherche pour le Développement (IRD [France-Sud])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Ecole Polytechnique d'Abomey Calavi (EPAC), University of Abomey Calavi (UAC), Université Cheikh Anta Diop [Dakar, Sénégal] (UCAD), Département de Biologie Animale, Université Chouaib Doukkali (UCD), Centre for Agricultural Bioscience International (CABI Europe Switzerland), The authors acknowledge the French National Research Agency (ANR-14-CE02-0021) and the BNP-Paribas Foundation Climate Initiative for funding the InvaCosts project which allowed the construction of the InvaCosts database. This work was initiated following a workshop funded by the AXA Research Fund Chair of Invasion Biology and is part of the AlienScenario project funded by BiodivERsA and Belmont-Forum call 2018 on biodiversity scenarios. AN and DM were supported by the Czech Science Foundation (project no. 19–13142S, and EXPRO no. 19–28807X) and the Czech Academy of Sciences (long-term research development project RVO 67985939). EA contract comes from the AXA Research Fund Chair of Invasion Biology of University Paris Saclay. JT was supported by CABI with core financial support from its member countries and lead agencies (see: https://www.cabi.org/what-we-do/how-we-work/cabi-donors-and-partners). CD was funded by the BiodivERsA-Belmont Forum Project 'Alien Scenarios' (BMBF/PT DLR 01LC1807C)., ANR-14-CE02-0021,InvaCosts,Insectes envahissants et leurs couts pour la biodiversité, l'économie et la santé humaine(2014), Institute of Botany of the Czech Academy of Sciences (IB / CAS), Centre for Agriculture and Biosciences International UK (CABI UK), The authors acknowledge the French National Research Agency (ANR-14-CE02-0021) and the BNP-Paribas Foundation Climate Initiative for funding the Invacost project which allowed the construction of the InvaCost database. This work was initiated following a workshop funded by the AXA Research Fund Chair of Invasion Biology and is part of the AlienScenario project funded by BiodivERsA and Belmont-Forum call 2018 on biodiversity scenarios. AN and DM were supported by the Czech Science Foundation (project no. 19–13142S, and EXPRO no. 19–28807X) and the Czech Academy of Sciences (long-term research development project RVO 67985939). EA contract comes from the AXA Research Fund Chair of Invasion Biology of University Paris Saclay. JT was supported by CABI with core financial support from its member countries and lead agencies (see: https://www.cabi.org/what-we-do/how-we-work/cabi-donors-and-partners/). CD was funded by the BiodivERsA-Belmont Forum Project 'Alien Scenarios' (BMBF/PT DLR 01LC1807C)., Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-Muséum national d'Histoire naturelle (MNHN)-Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université des Antilles (UA), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Université de Montpellier (UM)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut Agro - Montpellier SupAgro, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), and Université d’Abomey-Calavi = University of Abomey Calavi (UAC)
Subjects: 0106 biological sciences, ሥነ-ሕይወታዊ ወረራዎች, Natural resource economics, ግብርና, ruuri ndundat yi, [SDV]Life Sciences [q-bio], biological invasions, Plant Science, 010501 environmental sciences, ኢኮኖሚያዊ ወጪዎች, 01 natural sciences, Afrika, economic costs, InvaCosts, Afrique, yàqu-yàyu, agricultura, Economic cost, coûts économiques, gestion, labarali, Economic impact analysis, Biology (General), bestuur, Alien species, ukubhekana, agriculture, 2. Zero hunger, landbou, አፍሪካ, Ecology, gestión, Ecological Modeling, ቁጥጥር፡፡, costes económicos, njeexital ci koom-koom, Geography, [SDE]Environmental Sciences, ኢንቫኮስት, Ɲanamaya finkuraw cyarili, damage, management, InvaCost, QH301-705.5, Farafina, Developing country, Aquatic Science, 010603 evolutionary biology, invasions biologiques, daños, mbay, kɔlɔlɔ, skade, pertes et dommages, umonakalo, Natural ecosystem, indringer spesies, Ecology, Evolution, Behavior and Systematics, izindleko zezomnotho, 0105 earth and related environmental sciences, África, musaka, 15. Life on land, ጉዳት, Afrig, sɛnɛ, invasiones biológicas, 13. Climate action, ezolimo, izimila nezilwanyana zokufika, Insect Science, Africa, saytu gi, Animal Science and Zoology, ekonomiese koste
Abstract: International audience; Biological invasions can dramatically impact natural ecosystems and human societies. However, although knowledge of the economic impacts of biological invasions provides crucial insights for efficient management and policy, reliable syntheses are still lacking. This is particularly true for low income countries where economic resources are insufficient to control the effects of invasions. In this study, we relied on the recently developed "InvaCost" database – the most comprehensive repository on the monetised impacts of invasive alien species worldwide – to produce the first synthesis of economic costs of biological invasions on the African continent. We found that the reported costs of invasions ranged between US$ 18.2 billion and US$ 78.9 billion between 1970 and 2020. This represents a massive, yet highly underestimated economic burden for African countries. More alarmingly, these costs are exponentially increasing over time, without any signs of abatement in the near future. The reported costs were mostly driven by damage caused by invaders rather than expenses incurred for management. This trend was highly skewed towards a few regions (i.e. Southern and Eastern Africa) and activity sectors (i.e. agriculture) and incurred by a small number of invasive taxa (i.e. mainly three insect pests: Chilo partellus , Tuta absoluta , Spodoptera frugiperda ). We also highlight crucial, large gaps in current knowledge on the economic costs of invasions that still need to be bridged with more widespread research effort and management actions across the continent. Finally, our study provides support for developing and implementing preventive measures as well as integrated post-invasion management actions at both national and regional levels. Considering the complex societal and economic realities in African countries, the currently neglected problem of biological invasions should become a priority for sustainable development.; Les invasions biologiques peuvent avoir un impact considérable sur les écosystèmes naturels et les sociétés humaines. Cependant, bien que les connaissances sur les impacts économiques des invasions biologiques fournissent des informations cruciales en termes de gestion, des synthèses récentes et fiables font encore défaut. Cela est particulièrement vrai pour les pays à faible revenu où les ressources économiques sont insuffisantes pour contrôler les effets des invasions. Dans cette étude, nous nous sommes appuyés sur la base de données "InvaCost" développée récemment - le référentiel le plus complet sur les impacts monétaires des espèces exotiques envahissantes dans le monde - pour produire la première synthèse des coûts économiques des invasions biologiques sur le continent africain. Nous avons constaté que les coûts déclarés des invasions varient entre 18,2 milliards de dollars américains (USD) et 78,9 milliards USD entre 1970 et 2020. Cela représente une charge économique énorme, mais encore très sous-estimée, pour les pays africains. Plus alarmant encore, ces coûts augmentent de façon exponentielle au fil du temps, sans aucun signe de réduction pour les années à venir. Les coûts reportés étaient principalement (i) dus aux dommages causés par les envahisseurs plutôt qu’aux dépenses engagées pour lutter contre leurs invasions, (ii) fortement biaisés vers quelques régions (Afrique australe et orientale) et secteurs d’activité (agriculture) et (iii) associés à un nombre restreint de taxons envahissants (essentiellement trois insectes ravageurs: Chilo partellus, Tuta absoluta, Spodoptera frugiperda). Notre étude met également en lumière de cruciales lacunes dans les connaissances actuelles sur les coûts économiques des invasions qui doivent encore être comblées par des efforts de recherche et des actions de gestion plus importants et étendus à travers le continent. Enfin, notre travail souligne la nécessité de l’élaboration et la mise en œuvre de mesures préventives pour empêcher l’introduction des espèces envahissantes, ainsi que l’intégration des actions de gestion aux niveaux national et régional. Compte tenu des réalités sociétales et économiques complexes des pays africains, le problème actuellement négligé des invasions biologiques devrait être une priorité pour le développement durable.
Published: 2021

6. Atomic Layer Deposition of a Nanometer-Thick Li3PO4 Protective Layer on LiNi0.5Mn1.5O4 Films: Dream or Reality for Long-Term Cycling?

Author: Pascal Roussel, Richard Retoux, Christophe Lethien, José Avila, Maxime Hallot, Clement Leviel, Maria C. Asensio, Oleg I. Lebedev, Borja Caja-Munoz, Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Laboratoire de cristallographie et sciences des matériaux (CRISMAT), 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)-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), Universitat de València (UV), Circuits Systèmes Applications des Micro-ondes - IEMN (CSAM - IEMN ), Université catholique de Lille (UCL)-Université catholique de Lille (UCL)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), This research was financially supported by the ANR within the CASSIOPES project (ANR-17-CE09-0016-01). The authors also thank the French network on electrochemical energy storage (RS2E) and the Store-Ex Labex for the support. The French RENATECH network is greatly acknowledged for the use of microfabrication facilities. The authors are grateful to the French METSA network (FR3507) for the financial support of the transmission electron microscope experiment. Chevreul Institute (FR 2638), Ministère de l’Enseignement Supérieur et de la Recherche, Région Hauts de France and FEDER are acknowledged for supporting and funding XRD facilities., Renatech Network, RS2E, METSA, CMNF, ANR-17-CE09-0016,CASSIOPES,Caractérisations AvancéeS in SItu / OPerando de micro-batteriES 3D tout solide à ions lithium développées en technologie couche mince ALD(2017), ANR-10-LABX-0076,STORE-EX,Laboratory of excellency for electrochemical energy storage(2010), Boston College (BC), ISIS Neutron and Muon Source (ISIS), STFC Rutherford Appleton Laboratory (RAL), and Science and Technology Facilities Council (STFC)-Science and Technology Facilities Council (STFC)
Subjects: Materials science, LiNi0.5Mn1.5O4, 02 engineering and technology, Electrolyte, 010402 general chemistry, 01 natural sciences, NEXAFS, [SPI]Engineering Sciences [physics], Atomic layer deposition, X-ray photoelectron spectroscopy, Sputtering, XPS, [CHIM]Chemical Sciences, General Materials Science, Thin film, Composite material, [PHYS]Physics [physics], Surface protective layer, 021001 nanoscience & nanotechnology, Surface chemistry, 0104 chemical sciences, Electrode, Nanometre, 0210 nano-technology, Layer (electronics)
Abstract: International audience; LiNi0.5Mn1.5O4 (LNMO) is a promising 5V-class electrode for Li-ion batteries but suffers from manganese dissolution and electrolyte decomposition owing to the high working potential. An attractive solution to stabilize the surface chemistry consists in mastering the interface between the LNMO electrode and the liquid electrolyte with a surface protective layer made from the powerful surface deposition method. Here, we show that a 7400 nm thick sputtered LNMO film coated with a nanometer-thick lithium-ion-conductive Li3PO4 layer was deposited by the atomic layer deposition method. We demonstrate that this “material model system” can deliver a remarkable surface capacity (∼0.4 mAh cm–2 at 1C) and exhibits improved cycling lifetime (×650%) compared to the nonprotected electrode. Nevertheless, we observe that mechanical failure occurs within the LNMO and Li3PO4 films when long-term cycling is performed. This in-depth study gives new insights regarding the mechanical degradation of LNMO electrodes upon charge/discharge cycling and reveals for the first time that the surface protective layer made from the ALD method is not sufficient for long-term stability applications.
Published: 2021

7. Shaping of ceria-based single solid oxide cells combining tape-casting, screen-printing and infiltration

Author: Thierry Chartier, Pierre-Marie Geffroy, L. Guesnet, J.-C. Grenier, Jean-Marc Bassat, 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), 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), This research was partly supported by a French regional fellowship 'Région Nouvelle Aquitaine' (for L.G.). LG, JCG and JMB are grateful for the financial support obtained through the ANR project ECOREVE (ANR-18-CE05-0036-01). All authors acknowledge the French group GDR HysPac for fruitful discussions. Finally, the authors are grateful to the Solvay company (France) for providing the chemical precursors and powders employed in this work., and ANR-18-CE05-0036,ECOREVE,EleCtrOdes architecturées pour la Réalisation d'Electrolyseurs de la Vapeur d'Eau à haute température(2018)
Subjects: Materials science, Oxide, 02 engineering and technology, Electrolyte, 01 natural sciences, Catalysis, Solid Oxide Cells, chemistry.chemical_compound, Ceria, 0103 physical sciences, tape casting, Materials Chemistry, medicine, Porosity, 010302 applied physics, Tape casting, Pressing, infiltration method, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, medicine.disease, Chemical engineering, chemistry, Screen printing, Ceramics and Composites, 0210 nano-technology, Infiltration (medical)
Abstract: International audience; This study describes the development of a shaping process involving GDC10 (Ce0.9Gd0.1O1.95) as an electrolyte for Solid Oxide Cells operating at low temperature (500−600 °C). The goal is to build a single cell of porous/dense/porous GDC10 layers while adapting the porous layer thicknesses, which are infiltrated by catalysts to prepare efficient GDC-base composites. Two shaping processes were used to make the cell. The first process is die pressing of the electrolyte powder followed by the infiltration of a screen-printed porous backbone. The second shaping process consists of preparing a porous/dense/porous (30 μm/≈ 400 μm/30 μm) cell in a single step by combining tape-casting and screen-printing processes followed by the infiltration of the previous catalyst.
Published: 2020

8. Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater

Author: Paola Formenti, Karine Desboeufs, François Dulac, Araceli Rodríguez-Romero, Pascal Zapf, Antonio Tovar-Sánchez, Julie Disnaquet, Chiara Giorio, Jean-François Doussin, Cécile Guieu, Sylvain Triquet, Franck Maisonneuve, Anaïs Feron, Matthieu Bressac, Franck Fu, Patrick Chazette, Centre National de la Recherche Scientifique (France), Institut Français de Recherche pour l'Exploitation de la Mer, Commissariat à l'Ènergie Atomique et aux Ènergies Alternatives (France), Météo-France, Bressac, Matthieu, Tovar-Sánchez, Antonio, Giorio, Chiara, Chazette, Patrick, Julie Dinasquet, Rodríguez-Romero, Araceli, Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA (UMR_7583)), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institute for Marine and Antarctic Studies [Hobart] (IMAS), University of Tasmania [Hobart, Australia] (UTAS), Laboratoire d'océanographie de Villefranche (LOV), Institut national des sciences de l'Univers (INSU - CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut de la Mer de Villefranche (IMEV), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institute of Marine Sciences of Andalusia (ICMAN), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Laboratoire Chimie de l'environnement (LCE), Aix Marseille Université (AMU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire des Sciences du Climat et de l'Environnement [Gif-sur-Yvette] (LSCE), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Chimie Atmosphérique Expérimentale (CAE), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Scripps Institution of Oceanography (SIO - UC San Diego), University of California [San Diego] (UC San Diego), University of California (UC)-University of California (UC), The authors wish to thank Thierry Alix, the captain of the R/V Pourquoi Pas?, as well as the whole crew and technical staff for their involvement in the scientific operation. We gratefully thank Thibaut Wagener for his involvement in the trace metals clean marine sampling and Mickaël Tharaud for the HRICP-MS analysis. We thank the Leosphere technical support team and especially Alexandre Menard for their remote assistance with lidar repair under difficult offshore conditions. Hélène Ferré and the AERIS/SEDOO service are acknowledged for real-time collection during the cruise of maps from operational satellites and forecast models used in this study, with appreciated contributions from EUMETSAT and AERIS/ICARE for the MSG/SEVIRI products. EUMETNET is acknowledged for providing the pan-European weather radar composite images through its OPERA programme.We acknowledge the US National Oceanic and Atmospheric Administration (NOAA) Air Resources Laboratory (ARL) for the provision of the HYSPLIT (HYbrid Single-Particle Lagrangian Integrated Trajectory) model, via the NOAA ARL READY website (http://ready.arl.noaa.gov, last access: 11 February 2022), used in this publication. This study is a contribution to the PEACETIME project (http://peacetime-project.org, last access: 5 April 2021), a joint initiative of the MERMEX and ChArMEx programmes supported by CNRS-INSU, IFREMER, CEA and Météo-France as part of the decadal meta-programme MISTRALS coordinated by CNRS-INSU. PEACETIME was endorsed as a process study by GEOTRACES and is also a contribution to IMBER and SOLAS international programmes. The authors gratefully thank Rachel Shelley and the anonymous reviewer for their useful comments and critiques that have contributed to improving the manuscript., Giorio, Chiara [0000-0001-7821-7398], Apollo - University of Cambridge Repository, Observatoire océanologique de Villefranche-sur-mer (OOVM), and Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)
Subjects: 0106 biological sciences, Mediterranean climate, Biogeochemical cycle, Atmospheric Science, 010504 meteorology & atmospheric sciences, QC1-999, Mineral dust, 01 natural sciences, Atmosphere, Mediterranean sea, 3708 Oceanography, 14. Life underwater, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, QD1-999, 0105 earth and related environmental sciences, [SDU.OCEAN]Sciences of the Universe [physics]/Ocean, Atmosphere, 13 Climate Action, 010604 marine biology & hydrobiology, Physics, 37 Earth Sciences, Particulates, 14 Life Below Water, 6. Clean water, Chemistry, Deposition (aerosol physics), 13. Climate action, Environmental chemistry, 3701 Atmospheric Sciences, Environmental science, Seawater
Abstract: This study reports the only recent characterization of two contrasted wet deposition events collected during the PEACETIME (ProcEss studies at the Air–sEa Interface after dust deposition in the MEditerranean Sea) cruise in the open Mediterranean Sea (Med Sea) and their impact on trace metal (TM) marine stocks. Rain samples were analysed for Al, 12 TMs (Co, Cd, Cr, Cu, Fe, Mn, Mo, Ni, Pb, Ti, V and Zn) and nutrient (N, P, dissolved organic carbon) concentrations. The first rain sample collected in the Ionian Sea (Rain ION) was a typical regional background wet deposition event, whereas the second rain sample collected in the Algerian Basin (Rain FAST) was a Saharan dust wet deposition event. Even in the remote Med Sea, all background TM inputs presented an anthropogenic signature, except for Fe, Mn and Ti. The concentrations of TMs in the two rain samples were significantly lower compared to concentrations in rains collected at coastal sites reported in the literature, due to the decrease in anthropogenic emissions during the preceding decades. The atmospheric TM inputs were mainly dissolved forms, even in dusty Rain FAST. The TM stocks in the mixed layer (ML, 0–20 m) at the FAST station before and after the event showed that the atmospheric inputs were a significant supply of particulate TMs and dissolved Fe and Co for surface seawater. Even if the wet deposition delivers TMs mainly in soluble form, the post-deposition aerosol dissolution could to be a key additional pathway in the supply of dissolved TMs. At the scale of the western and central Mediterranean, the atmospheric inputs were of the same order of magnitude as ML stocks for dissolved Fe, Co and Zn, highlighting the role of the atmosphere in their biogeochemical cycles in the stratified Med Sea. In case of intense dust-rich wet deposition events, the role of atmospheric inputs as an external source was extended to dissolved Co, Fe, Mn, Pb and Zn. Our results suggest that the wet deposition constitutes only a source of some of dissolved TMs for Med Sea surface waters. The contribution of dry deposition to the atmospheric TM inputs needs to be investigated., This study is a contribution to the PEACETIME project (http://peacetime-project.org; last access: 5 April 2021), a joint initiative of the MERMEX and ChArMEx programmes supported by CNRS-INSU, IFREMER, CEA and Météo-France as part of the decadal meta-programme MISTRALS coordinated by CNRS-INSU.
Published: 2022

9. A strong mitigation scenario maintains climate neutrality of northern peatlands

Author: Qiu, Chunjing, Ciais, Philippe, Zhu, Dan, Guenet, Bertrand, Chang, Jinfeng, Chaudhary, Nitin, Kleinen, Thomas, Li, Xinyu, Müller, Jurek, Xi, Yi, Zhang, Wenxin, Ballantyne, Ashley, Brewer, Simon, Brovkin, Victor, Charman, Dan, Gustafson, Adrian, Gallego-Sala, Angela, Gasser, Thomas, Holden, Joseph, Joos, Fortunat, Kwon, Min Jung, Lauerwald, Ronny, Miller, Paul, Peng, Shushi, Page, Susan, Smith, Benjamin, Stocker, Benjamin, Sannel, A. Britta K., Salmon, Elodie, Schurgers, Guy, Shurpali, Narasinha, Wårlind, David, Westermann, Sebastian, Kwon, Min, Laboratoire des Sciences du Climat et de l'Environnement [Gif-sur-Yvette] (LSCE), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Mathématiques et Informatique Appliquées (MIA Paris-Saclay), AgroParisTech-Université Paris-Saclay-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Sino-French Institute for Earth System Science, College of Urban and Environmental Sciences, Peking University [Beijing], 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-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), Ecologie fonctionnelle et écotoxicologie des agroécosystèmes (ECOSYS), European Research Council, ERC: SyG-2013-610028 IMBALANCE-P, Agence Nationale de la Recherche, ANR, This work was supported by the European Research Council Synergy grant (SyG-2013-610028 IMBALANCE-P) and the French State Aid managed by the ANR under the ?Investissements d'avenir? programme (ANR-16-CONV-0003_Cland). ORCHIDEE-PEAT performed simulations using HPC resources from GENCI-TGCC (2020-A0070106328). A.V.G.-S. was funded by the Natural Environment Research Council (NERC standard grant no. NE/I012915/1 and no. NE/S001166/1). W.Z. acknowledges funding from the Swedish Research Council FORMAS 2016-01201 and Swedish National Space Agency 209/19. N.C. acknowledges funding by the Nunataryuk (EU grant agreement no. 773421) and the Swedish Research Council FORMAS (contract no. 2019-01151). LPJ-GUESS_dyn simulations were performed on the supercomputing facilities at the University of Oslo, Norway, and on the Aurora and Tetralith resources of the Swedish National Infrastructure for Computing (SNIC) at the Lund University Centre for Scientific and Technical Computing (Lunarc), project no. 2021/2-61 and no. 2021/2-28, and Link?ping University, project no. snic2020/5-563. A.G. P.A.M. W.Z. B.S. D.W. and N.C. acknowledge support from the strategic research areas Modeling the Regional and Global Earth System (MERGE) and Biodiversity and Ecosystem Services in a Changing Climate (BECC) at Lund University. P.A.M. and D.W. received financial support from the H2020 CRESCENDO project (grant agreement no. 641816). LPJ-GUESS simulations were enabled by resources provided by the Swedish National Infrastructure for Computing (SNIC) at LUNARC partially funded by the Swedish Research Council through grant agreement no. 2018-05973. J.M. and F.J. acknowledge financial support by the Swiss National Science Foundation (no. 200020_172476 and no. 200020_200511) and funding from the European Union's Horizon 2020 research and innovation program under grant agreement no. 820989 (project COMFORT) and no. 821003 (project 4C). The work reflects only the authors views, the European Commission and their executive agency are not responsible for any use that may be made of the information the work contains. B.G. received funding from the European Union's Horizon 2020 research and innovation program under grant agreement no. 641816 (CRESCENDO) and no. 821003 (4C project). B.D.S was funded by the Swiss National Science Foundation grant no. PCEFP2_181115. T.K. acknowledges support from the German Federal Ministry for Education and Research (BMBF) through the PalMod programme (grant no. 01LP1507B and no. 01LP1921A). LPJ-MPI experiments were performed at the German Climate Computing Centre (DKRZ), using resources from the Max Planck Institute for Meteorology. N.J.S. acknowledges financial support from Academy of Finland (no. 296887 and no. 334422) and the Finnish Ministry of Agriculture and Forestry (no. VN/28562/2020). J.C. acknowledged support from the Fundamental Research Funds for the Central Universities (no. 2021QNA6005). D.Z. acknowledges funding from the National Natural Science Foundation of China (grant no. 42101090 and no. 41988101). W.Z and G.S. acknowledge support from the Danish National Research Foundation (DNRF100). C.Q. P.C. D.Z. and B.G. designed the research, C.Q. and P.C. drafted the manuscript, J.C. prepared the climate forcing for ORCHIDEE-PEAT and computed estimates of global and Northern Hemisphere CO2 emissions from ISIMIP2b terrestrial biosphere models, C.Q. N.C. T.K. X.Y.L. J.M. Y.X. and W.Z. performed model simulations, A.V.G.-S. and S.C.B. provided estimates for future peat carbon sink from Gallego-Sala et al.15, all authors contributed to the interpretation of the results and draft revision., ANR-16-CONV-0003,CLAND,CLAND : Changement climatique et usage des terres(2016), European Project: 641816,H2020,H2020-SC5-2014-two-stage,CRESCENDO(2015), ICOS-ATC (ICOS-ATC), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Modélisation des Surfaces et Interfaces Continentales (MOSAIC), Key Laboratory of Plant-Soil Interactions - College of Resources and Environmental Sciences (PSI), China Agricultural University (CAU), Department of Geosciences [Oslo], Faculty of Mathematics and Natural Sciences [Oslo], University of Oslo (UiO)-University of Oslo (UiO), Department of Physical Geography and Ecosystem Science [Lund], Lund University [Lund], Max Planck Institute for Meteorology (MPI-M), Max-Planck-Gesellschaft, Climate and Environmental Physics [Bern] (CEP), Physikalisches Institut [Bern], Universität Bern [Bern] (UNIBE)-Universität Bern [Bern] (UNIBE), Oeschger Centre for Climate Change Research (OCCR), University of Bern, Center for Permafrost (CENPERM), Department of Geosciences and Natural Resource Management [Copenhagen] (IGN), Faculty of Science [Copenhagen], University of Copenhagen = Københavns Universitet (UCPH)-University of Copenhagen = Københavns Universitet (UCPH)-Faculty of Science [Copenhagen], University of Copenhagen = Københavns Universitet (UCPH)-University of Copenhagen = Københavns Universitet (UCPH), Department of Ecosystem and Conservation Sciences, University of Montana, University of Utah, College of Life and Environmental Sciences [Exeter], University of Exeter, International Institute for Applied Systems Analysis [Laxenburg] (IIASA), School of Geography [Leeds], University of Leeds, University of Leicester, Hawkesbury Institute for the Environment [Richmond] (HIE), Western Sydney University, Department of Environmental Systems Science [ETH Zürich] (D-USYS), Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), Swiss Federal Institute for Forest, Snow and Landscape Research WSL, Department of Physical Geography [Stockholm], Stockholm University, Laboratoire de Physique et Chimie de l'Environnement et de l'Espace (LPC2E), Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Centre National d’Études Spatiales [Paris] (CNES), and Natural Resources Institute Finland (LUKE)
Subjects: [SDU.OCEAN]Sciences of the Universe [physics]/Ocean, Atmosphere, 0303 health sciences, 010504 meteorology & atmospheric sciences, 530 Physics, methane, [SDE.MCG]Environmental Sciences/Global Changes, carbon dioxide, carbon-cycle feedback, 15. Life on land, 01 natural sciences, 03 medical and health sciences, long-term climate change, 13. Climate action, [SDU.STU.CL]Sciences of the Universe [physics]/Earth Sciences/Climatology, land surface models, Earth and Planetary Sciences (miscellaneous), peatland, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, 030304 developmental biology, 0105 earth and related environmental sciences, General Environmental Science, permafrost
Abstract: Northern peatlands store 300–600 Pg C, of which approximately half are underlain by permafrost. Climate warming and, in some regions, soil drying from enhanced evaporation are progressively threatening this large carbon stock. Here, we assess future CO2 and CH4 fluxes from northern peatlands using five land surface models that explicitly include representation of peatland processes. Under Representative Concentration Pathways (RCP) 2.6, northern peatlands are projected to remain a net sink of CO2 and climate neutral for the next three centuries. A shift to a net CO2 source and a substantial increase in CH4 emissions are projected under RCP8.5, which could exacerbate global warming by 0.21°C (range, 0.09–0.49°C) by the year 2300. The true warming impact of peatlands might be higher owing to processes not simulated by the models and direct anthropogenic disturbance. Our study highlights the importance of understanding how future warming might trigger high carbon losses from northern peatlands.
Published: 2022

10. Clumped isotopes in modern marine bivalves

Author: Damien Huyghe, Mathieu Sebilo, D. Blamart, Marc de Rafélis, Yves-Marie Paulet, Mathieu Daëron, Franck Lartaud, Centre de Géosciences (GEOSCIENCES), MINES ParisTech - École nationale supérieure des mines de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL), Laboratoire d'Ecogéochimie des environnements benthiques (LECOB), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Observatoire océanologique de Banyuls (OOB), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Géosciences Environnement Toulouse (GET), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD), Laboratoire des Sciences du Climat et de l'Environnement [Gif-sur-Yvette] (LSCE), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ), Paléocéanographie (PALEOCEAN), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ), Institut d'écologie et des sciences de l'environnement de Paris (iEES Paris ), Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), E2S UPPA, Laboratoire des Sciences de l'Environnement Marin (LEMAR) (LEMAR), Institut de Recherche pour le Développement (IRD)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Université de Brest (UBO)-Institut Universitaire Européen de la Mer (IUEM), Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), Mines Paris - PSL (École nationale supérieure des mines de Paris), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université de Pau et des Pays de l'Adour (UPPA), 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), Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), This project was financially supported by the ANR AMOR (Data Model Reconstruction of the Cenozoic Climate). The authors thank Laurent Chauvaud and Erwan Amice (LEMAR, UBO) for the collection of A. colbecki specimens, supported by the MACARBI project (IUEM). The authors are also grateful to the captain and crew of the RV Nereis II from the UMS Service at Sea of the OOB, for their help in acquiring N. cochlear shells. Analytical facilities (a part of the PANOPLY analytical Platform) at LSCE received funding from various sources (Région Ile-de-France, Commissariat à l’Energie Atomique, Institut National des Sciences de l’Univers/Centre National de la Recherche Scientifique, Université de Versailles/St-Quentin-en-Yvelines). Thoughtful comments by Editor W. Guo, S. Petersen, N. Meckler and one anonymous reviewer helped to improve the original version of the manuscript., ANR-16-CE31-0020,AMOR,Reconstruction modèle-données des climats du Cénozoique(2016), Université de Pau et des Pays de l'Adour (UPPA)-Centre National de la Recherche Scientifique (CNRS), Institut Universitaire Européen de la Mer (IUEM), Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Centre National de la Recherche Scientifique (CNRS)-Université de Brest (UBO), Université Paris sciences et lettres (PSL), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS)
Subjects: Mollusk, 010504 meteorology & atmospheric sciences, Paleoclimate, [SDU.STU]Sciences of the Universe [physics]/Earth Sciences, 010502 geochemistry & geophysics, 01 natural sciences, Mineralization (biology), Clumped isotopes, Isotopes of oxygen, chemistry.chemical_compound, Geochemistry and Petrology, Abundance (ecology), Ecosystem, 14. Life underwater, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, Paleo-Climat, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, Abiotic component, [SDU.OCEAN]Sciences of the Universe [physics]/Ocean, Atmosphere, Isotope, Temperature, Oceanography, chemistry, 13. Climate action, [SDU.STU.CL]Sciences of the Universe [physics]/Earth Sciences/Climatology, Environmental science, Carbonate, Seawater
Abstract: International audience; Oxygen-isotope measurements of fossil carbonates remain the most common method for paleoclimatic temperature reconstructions. A well-known limitation of this approach is the influence of the oxygen isotope composition of water in which mineralization occurs, which may vary significantly through space and time, and is often difficult to constrain precisely. Carbonate clumped-isotope thermometry is an alternative approach applicable to many carbonates. It is based on measurements of Δ47 (a tracer of small statistical anomalies in the abundance of rare, doubly-substituted carbonate isotopologues), and requires no independent information on the oxygen-isotope composition of parent waters. Here, we report new calibration observations of clumped isotopes in four species of calcitic marine bivalves (A. colbecki, N. cochlear, S. cucullata, M. gigas) from various ecosystems including coastal and deep-sea environments, with calcification temperatures ranging from −2 °C to 27 °C and very different amplitudes of seasonal temperature variability. At two localities with large seasonal temperature variability, calcification time intervals were constrained using a sclerochronological approach to test whether seasonal gradients of temperature can be accurately quantified based on Δ47 measurements.Our results indicate that the mature bivalves we analyzed have clumped-isotope compositions entirely consistent with earlier calibration studies processed in the I-CDES reference frame and based on biogenic/abiotic/synthetic materials. By contrast, juvenile M. gigas oysters yield substantially lower Δ47 values than expected based on their calcification environments, suggesting that their early growth phase is associated with yet poorly understood isotopic biases affecting both δ18Ο and Δ47 values. The link between seawater temperatures and bivalve Δ47 values is thus potentially applicable to seasonal reconstructions, but only if shell sections formed in cold seasons are precisely identified and precisely sampled, and taking into account that winter calcification is likely to be biased due to reduced growth rate. Moreover, the excellent agreement between our observations and the existing I-CDES calibrations further demonstrates the efficacy of the I-CDES standardization approach, and adds to the evidence that many different types of carbonates conform to statistically indistinguishable relationships between Δ47 and crystallization temperature.
Published: 2022

11. Effect of a Transducer Horizontality Default on Lake Fish Stock Assessment

Author: Arthur Blanluet, Chloé Goulon, Anne Lebourges-Dhaussy, Jean Guillard, Pauline Eymar-Dauphin, Centre Alpin de Recherche sur les Réseaux Trophiques et Ecosystèmes Limniques (CARRTEL), Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Laboratoire des Sciences de l'Environnement Marin (LEMAR) (LEMAR), Institut de Recherche pour le Développement (IRD)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Université de Brest (UBO)-Institut Universitaire Européen de la Mer (IUEM), Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut de Recherche pour le Développement (IRD), and This work was supported by OFB (Office Francais de la Biodiversite, previously named Agence Francaise pour la Biodiversite) and had support from AnaEE France and SOERE OLA (boat and technical facilities). The hydroacoustic and limnological data are issued from OLA, Observatory of LAkes (http://www6.inra.fr/soere-ola (c) SOERE OLA-IS, AnaEE-France, INRAE Thonon-lesBains, SILA, developed by Eco-Informatics ORE INRAE Team). The authors want to thank Jean-Christophe Hustache and Dr. Helge Balk for their precious help during the survey, as well as Michael Girard for previous analyses. We want to thank Laurent Berger and the anonymous reviewer for their pertinent comments and remarks about the manuscript. The authors Arthur Blanluet, Jean Guillard and Chloe Goulon are associate members of the Cogitamus Laboratory.
Subjects: 0106 biological sciences, Fisheries acoustics, biomass, Acoustics and Ultrasonics, ACL, 010604 marine biology & hydrobiology, Attenuation, aspect target strength, Sampling (statistics), alpine lake, Principle of original horizontality, Geodesy, Fish stock, 010603 evolutionary biology, 01 natural sciences, Freshwater, Transducer, Quality (physics), Orientation (geometry), Hydroacoustics, Transducer miss-alignment, 14. Life underwater, [SDE.BE]Environmental Sciences/Biodiversity and Ecology, Geology
Abstract: Freshwater hydroacoustic surveys are frequently performed with small research boats. Thus, the transducer, usually fixed on a pole on the side of the boat, could be misaligned with the horizontal axis (i.e., the lake surface). Given that fish acoustic responses are strongly directional, the transducer angle could induce attenuation of their backscattering strengths. To test the influence of a small shift of the transducer orientation, we compared hydroacoustics estimates from two sampling nights on the Lake Annecy: the first one being a transducer angle of $$1.5^{\circ }$$ with the horizontal and the second one being strictly horizontal. We showed that the effect of such an angle is negligible over the sampling variability on the TS distribution of the fish population and the biomass assessment. We conclude that a small shift in the transducer horizontality ( $$\le 1.5^{\circ }$$ ) will not degrade the quality of the acoustic data.
Published: 2020

12. Operator Splitting Performance Estimation: Tight Contraction Factors and Optimal Parameter Selection

Author: Pontus Giselsson, Adrien B. Taylor, Ernest K. Ryu, Carolina Bergeling, Department of Mathematical Sciences [Seoul], Seoul National University [Seoul] (SNU), Statistical Machine Learning and Parsimony (SIERRA), Département d'informatique - ENS Paris (DI-ENS), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Inria de Paris, Institut National de Recherche en Informatique et en Automatique (Inria), Department of Automatic Control, Lund University [Lund], Collaborations between the authors started during the LCCC Focus Period on Large-Scale and Distributed Optimization organized by the Automatic Control Department of Lund University. The authors thank the organizers and the other participants. Among others, we thank Laurent Lessard for insightful discussions on the topics of DRS and computer-assisted proofs. Ernest Ryu was supported in part by NSF grant DMS-1720237 and ONR grant N000141712162. Adrien Taylor was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement 724063).Pontus Giselsson was supported by the Swedish Foundation for Strategic Research and the Swedish Research Council., Department of Mathematics [UCLA], University of California [Los Angeles] (UCLA), University of California-University of California, Département d'informatique de l'École normale supérieure (DI-ENS), Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Inria de Paris, Ernest Ryu was supported in part by NSF grant DMS-1720237 and ONR grant N000141712162. Adrien Taylor was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement 724063). Pontus Giselsson was supported by the Swedish Foundation for Strategic Research and the Swedish Research Council, École normale supérieure - Paris (ENS Paris), and Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS Paris)
Subjects: Semidefinite programming, Mathematical optimization, 021103 operations research, Performance estimation, Mathematics::Optimization and Control, 0211 other engineering and technologies, 47H05 47H09 68Q25 90C22 90C25 90C30 90C60, 010103 numerical & computational mathematics, 02 engineering and technology, 01 natural sciences, Theoretical Computer Science, Operator splitting, Optimization and Control (math.OC), FOS: Mathematics, [MATH.MATH-OC]Mathematics [math]/Optimization and Control [math.OC], 0101 mathematics, Mathematics - Optimization and Control, Contraction (operator theory), Software, Mathematics
Abstract: We propose a methodology for studying the performance of common splitting methods through semidefinite programming. We prove tightness of the methodology and demonstrate its value by presenting two applications of it. First, we use the methodology as a tool for computer-assisted proofs to prove tight analytical contraction factors for Douglas--Rachford splitting that are likely too complicated for a human to find bare-handed. Second, we use the methodology as an algorithmic tool to computationally select the optimal splitting method parameters by solving a series of semidefinite programs., Comment: Published in the SIAM Journal on Optimization
Published: 2020

13. An automated system for fast transfer and injection of hyperpolarized solutions

Author: Samuel F. Cousin, Stuart J. Elliott, James G. Kempf, Sami Jannin, Christophe Pages, Basile Vuichoud, Jonas Milani, Théo El Daraï, Simon A. Lambert, Aurélien Bornet, Morgan Ceillier, Olivier Cala, Sylvie Guibert, Dmitry Eshchenko, Quentin Stern, Catherine Jose, Centre de RMN à très hauts champs de Lyon (CRMN), École normale supérieure de Lyon (ENS de Lyon)-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), University of Liverpool - Department of Chemistry, Institut des Sciences et Ingénierie Chimiques (ISIC), Ecole Polytechnique Fédérale de Lausanne (EPFL), Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Bruker Biospin Switzerland, Bruker Biospin Corp. United States, Ampère, Département Energie Electrique (EE), Ampère (AMPERE), École Centrale de Lyon (ECL), Université de Lyon-Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), 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)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-École Centrale de Lyon (ECL), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), This research was supported by ENS-Lyon, the French CNRS, Lyon 1 University, the European Research Council under the European Union's Horizon 2020 research and innovation program (ERC Grant Agreements No. 714519 / HP4all and Marie Skłodowska-Curie Grant Agreement No. 766402 / ZULF). The authors gratefully acknowledge Bruker Biospin for providing the prototype dDNP polarizer, and particularly Roberto Melzi, Marc Rossire, Marco Sacher and Marc Schnell for scientific and technical support. The authors graciously acknowledge Frank Decker, Bruno Knittel and Venita Decker for lending assistance with the operation of the permanent magnet Bruker Biospin Fourier 80 benchtop NMR system. The authors additionally acknowledge Stéphane Martinez of the UCBL mechanical workshop for machining parts of the experimental apparatus, and Paul-Emmanuel Edeline for assisting with dissolution experiments., European Project: 714519,HP4all, École normale supérieure - Lyon (ENS Lyon)-Université Claude Bernard Lyon 1 (UCBL), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, QC1-999, R895-920, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, law.invention, Medical physics. Medical radiology. Nuclear medicine, law, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, [CHIM]Chemical Sciences, Sensitivity (control systems), Hyperpolarization (physics), Spectral resolution, Instrumentation, Spectrometer, Spins, Physics, Relaxation (NMR), Polarizer, dDNP, 021001 nanoscience & nanotechnology, Polarization (waves), NMR, 0104 chemical sciences, Transfer, Hyperpolarization, Atomic physics, 0210 nano-technology, Dissolution
Abstract: International audience; Dissolution dynamic nuclear polarization (dDNP) has become a hyperpolarization method of choice for enhancing nuclear magnetic resonance (NMR) signals. Nuclear spins are polarized in solid frozen samples (in a so-called polarizer) that are subsequently dissolved and transferred to an NMR spectrometer for high sensitivity detection. One of the critical challenges of dDNP is that it requires both a fast transfer to limit nuclear spin relaxation losses as well as stability to guarantee high resolution (no bubbles nor turbulences). Here we describe the design, construction and performances of such a transfer and injection system, that features a 5 m/s speed and sub-Hz spectral resolution upon arrival at the detection spot. We demonstrate the use of such a system for inter-magnet distances of up to 10 m.
Published: 2021

14. Exploring the relationship between metal exposure, BDNF, and behavior in adolescent males

Author: Mariana F. Fernández, Fernando Gil, Antonio Mundo, Pablo Olmedo, Vicente Mustieles, Shereen Cynthia D'Cruz, Carmen Freire, Marina Molina, Louis Legoff, Andrea Rodríguez-Carrillo, Iris Reina-Pérez, Arthur David, Fatima Smagulova, Universidad de Granada (UGR), CIBER de Epidemiología y Salud Pública (CIBERESP), Institut de recherche en santé, environnement et travail (Irset), Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique )-Institut National de la Santé et de la Recherche Médicale (INSERM)-École des Hautes Études en Santé Publique [EHESP] (EHESP)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Université d'Angers (UA), École des Hautes Études en Santé Publique [EHESP] (EHESP), Instituto de Salud Carlos III (ISCIII)Instituto de Salud Carlos IIIEuropean Commission [PT17/0019], ERDFEuropean Commission, European Union's Horizon 2020 research and innovation program HBM4EU [733032], ISCIIIInstituto de Salud Carlos III [CP16/00085, FIS 17/01526, FIS-PI16/01820, FIS-PI16/01858], University of Granada, Biomedical Research Networking Center-CIBER de Epidemiologia y Salud Publica (CIBERESP), Spanish Ministry of EducationSpanish Government [FPU 16/03011], Miguel Servet Type I program of the ISCIII 'Fondo Europeo de Desarrollo Regional' (ISCIII/FEDER) [MS16/00085], Universidad de Granada = University of Granada (UGR), Université d'Angers (UA)-Université de Rennes (UR)-École des Hautes Études en Santé Publique [EHESP] (EHESP)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique ), Département des sciences en santé environnementale (DEESSE), This research would not have been achieved without the selfless collaboration of the INMA-Granada adolescents and families who took part in the study. The authors also acknowledge the Human Genotyping Laboratory at the Spanish National Cancer Research Center, CeGen-PRB3, which is supported by grant no. PT17/0019, of the PE I+D+i 2013–2016, funded by the Instituto de Salud Carlos III (ISCIII) and ERDF. They thank the European Union's Horizon 2020 research and innovation program HBM4EU for financial support under Grant Agreement No. 733032. The study was also supported by the ISCIII with grant no. CP16/00085. The authors also acknowledge the funding received from the University of Granada for the open access publishing costs and the support of the Biomedical Research Networking Center-CIBER de Epidemiología y Salud Pública (CIBERESP), and the ISCIII (FIS 17/01526, FIS-PI16/01820 and FIS-PI16/01858). Vicente Mustieles and Shereen Cynthia D'Cruz were under contract with the HBM4EU project. A. Rodríguez-Carrillo received a predoctoral fellowship (FPU 16/03011) from the Spanish Ministry of Education and C. Freire (grant no. MS16/00085) received a grant under the Miguel Servet Type I program of the ISCIII ‘‘Fondo Europeo de Desarrollo Regional’’ (ISCIII/FEDER)., European Project: 733032,H2020,HBM4EU(2017), Chard-Hutchinson, Xavier, and European Human Biomonitoring Initiative - HBM4EU - - H20202017-01-01 - 2021-12-31 - 733032 - VALID
Subjects: [SDE] Environmental Sciences, HBM4EU, Male, medicine.medical_specialty, Adolescent, [SDV]Life Sciences [q-bio], CBCL, Urine, 010501 environmental sciences, Effect biomarkers, 01 natural sciences, Brain-derived neurotrophic factor, Effect biomarker, Arsenic, 03 medical and health sciences, 0302 clinical medicine, Neurotrophic factors, Internal medicine, medicine, Humans, 030212 general & internal medicine, 0105 earth and related environmental sciences, Behavior, DNA methylation, business.industry, Brain-Derived Neurotrophic Factor, Confounding, Public Health, Environmental and Occupational Health, Methylation, Environmental Exposure, Mercury, 3. Good health, [SDV] Life Sciences [q-bio], Human biomonitoring, Endocrinology, [SDV.SPEE] Life Sciences [q-bio]/Santé publique et épidémiologie, Metals, Adolescent Behavior, [SDE]Environmental Sciences, Biomarker (medicine), [SDV.SPEE]Life Sciences [q-bio]/Santé publique et épidémiologie, business
Abstract: This research would not have been achieved without the selfless collaboration of the INMA-Granada adolescents and families who took part in the study. The authors also acknowledge the Human Genotyping Laboratory at the Spanish National Cancer Research Center, CeGen-PRB3, which is supported by grant no. PT17/0019, of the PE I+D+i 2013-2016, funded by the Instituto de Salud Carlos III (ISCIII) and ERDF. They thank the European Union's Horizon 2020 research and innovation program HBM4EU for financial support under Grant Agree-ment No. 733032. The study was also supported by the ISCIII with grant no. CP16/00085. The authors also acknowledge the funding received from the University of Granada for the open access publishing costs and the support of the Biomedical Research Networking Center-CIBER de Epidemiologia y Salud Publica (CIBERESP) , and the ISCIII (FIS 17/01526, FIS-PI16/01820 and FIS-PI16/01858) . Vicente Mustieles and Shereen Cynthia D'Cruz were under contract with the HBM4EU project. A. Rodriguez-Carrillo received a predoctoral fellowship (FPU 16/03011) from the Spanish Ministry of Education and C. Freire (grant no. MS16/00085) received a grant under the Miguel Servet Type I program of the ISCIII "Fondo Europeo de Desarrollo Regional" (ISCIII/FEDER) . This article forms part of the doctoral thesis developed by Andrea Rodriguez-Carrillo in the context of the "Clinical Medicine and Public Health Program" of the University of Granada (Spain) ., Background: Brain-derived neurotrophic factor (BDNF) plays an important role in brain development by regulating multiple pathways within the central nervous system. In the Human Biomonitoring for Europe Project (HBM4EU), this neurotrophin is being implemented as a novel effect biomarker to evaluate the potential threats of environmental chemicals on neurodevelopment. Objectives: To explore the relationships among exposure to environmental metals, BDNF biomarkers at two levels of biological complexity, and behavioral function in adolescent males. Methods: Data were gathered from 125 adolescents on: spot urine sample total concentrations of the neurotoxic metal(oid)s arsenic (As), cadmium (Cd), mercury (Hg), and lead (Pb); serum BDNF protein concentrations; and concurrent behavioral functioning according to the Child Behavior Check List (CBCL/6–18). In 113 of the participants, information was also collected on blood BDNF DNA methylation at six CpGs. Associations were evaluated by multivariate linear regression analysis adjusted for confounders. Results: As, Cd, Hg, and Pb were detected in 100%, 98.5%, 97.0%, and 89.5% of urine samples, respectively. Median serum BDNF concentration was 32.6 ng/mL, and total percentage of BDNF gene methylation was 3.8%. In the adjusted models, urinary As was non-linearly associated with more internalizing problems and Cd with more externalizing behaviors. The percentage BDNF DNA methylation at CPGs #5 and the mean percentage CpG methylation increased across As tertiles (p-trend = 0.04 and 0.03, respectively), while 2nd tertile and 3rd tertile of Cd concentrations were associated with lower serum BDNF and higher CpG3 methylation percentage. Additionally, when BDNF was categorized in tertiles, serum BDNF at the 3rd tertile was associated with fewer behavioral problems, particularly withdrawn (p-trend = 0.04), social problems (p-trend = 0.12), and thought problems (p-trend = 0.04). Conclusion: Exposure to As and Cd was associated with BDNF gene DNA methylation BDNF gene and serum BDNF, respectively. Associations with DNA methylation may be attributable to a higher variability over time in circulating BDNF concentrations than in the methylation status of this gene. Caution should be taken when interpreting the results relating postnatal Pb and Hg to behavioral functioning. Further studies are needed to verify these findings., Instituto de Salud Carlos III European Commission PT17/0019, European Commission, European Union's Horizon 2020 research and innovation program HBM4EU 733032, Instituto de Salud Carlos III CP16/00085 FIS 17/01526 FIS-PI16/01820 FIS-PI16/01858, University of Granada, Biomedical Research Networking Center-CIBER de Epidemiologia y Salud Publica (CIBERESP), Spanish Government FPU 16/03011, Miguel Servet Type I program of the ISCIII "Fondo Europeo de Desarrollo Regional" (ISCIII/FEDER) MS16/00085
Published: 2021

15. Soil moisture and vegetation optical depth retrievals over heterogeneous scenes using LEWIS L-band radiometer

Author: Yann Kerr, S. Gascoin, M. Barrée, Arnaud Mialon, Romain Biron, Marie Parrens, Thierry Pellarin, F. Lemaître, Centre d'études spatiales de la biosphère (CESBIO), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut des Géosciences de l’Environnement (IGE), Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-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), Dynamiques et écologie des paysages agriforestiers (DYNAFOR), École nationale supérieure agronomique de Toulouse (ENSAT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), ONERA / DOTA, Université de Toulouse [Toulouse], ONERA-PRES Université de Toulouse, The authors acknowledge support by CNES (Centre National d’Etudes Spatiales) TOSCA program, the 'Centre Aval de Traitement des Données SMOS' (CATDS), operated for the CNES (France) by IFREMER (Brest, France)., Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Institut de Recherche pour le Développement (IRD)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), École nationale supérieure agronomique de Toulouse [ENSAT]-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), DOTA, ONERA [Salon], ONERA, and The authors acknowledge support by CNES (Centre National d’Etudes Spatiales) TOSCA program, the 'Centre Aval de Traitement des Donn ́ees SMOS' (CATDS), operated for the CNES (France) by IFREMER (Brest, France).
Subjects: Brightness, L band, 010504 meteorology & atmospheric sciences, 0211 other engineering and technologies, 02 engineering and technology, Management, Monitoring, Policy and Law, 01 natural sciences, Footprint, Cal/Val, Radiative transfer, 14. Life underwater, Computers in Earth Sciences, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, ComputingMilieux_MISCELLANEOUS, 021101 geological & geomatics engineering, 0105 earth and related environmental sciences, Earth-Surface Processes, Remote sensing, Global and Planetary Change, Radiometer, VOD, Vegetation, 15. Life on land, Surface soil moisture, L-band, [SDU]Sciences of the Universe [physics], Environmental science, Radiometry, Satellite, SMOS
Abstract: International audience; The Soil Moisture and Ocean Salinity (SMOS) satellite has been providing global data for more than 11 years. The algorithm to retrieve surface soil moisture (SM) and vegetation optical depth (VOD) from Brightness Temperatures (TB) has constantly evolved as our understanding of the instrument and of the responses to various ecosystems increased. The evolution of the radiative transfer modelling used in the inversion process is in part based upon ground measurements done on experimental sites. We present the particular case of an L-band radiometer placed on top of a 800- meter-high cliff. This design allows us to study large and various scenes when compared to classical experiments where a radiometer is placed 10–20 m above a surface. With our set up, the footprints cover areas larger than 300 m in diameter, covering thus several land use types and the footprint can be directed towards different dominant land classes (forest, crops, urban etc…). This paper presents the whole set up consisting of in situ measurements (soil moisture and surface temperatures) and L-band radiometry acquired by the LEWIS instrument at high incidence angles. We perform SM/VOD retrievals from brightness temperatures using various configurations which are compared to the in situ observations. We test in particular a 2-VOD retrieval approach that consists in deriving one SM for the entire scene but two VOD, one for agricultural/low vegetation and a VOD for the forest parts, which improves the performance of the SM/VOD retrievals.
Published: 2021

16. Controlled morphology synthesis of nanostructured β-AlF3– x(OH)x with tunable specific surface area

Author: Stéphanie Kodjikian, Jean Louis Bobet, Jérôme Lhoste, Amandine Guiet, Monique Body, Romain Moury, Marc Leblanc, Christophe Legein, Franck Fayon, Vincent Maisonneuve, Valentine Camus-Génot, Institut des Molécules et Matériaux du Mans (IMMM), Le Mans Université (UM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), 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), Optique et microscopies (POM), 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), 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), Le Mans Université (V. Camus-Génot) for doctoral grants and the Région des Pays de la Loire (J. Lhoste, Gis-Perle project). Thanks are also due to the Université Bretagne Loire, University of Le Mans, and to ANR Programme National de Recherche—OPIFCAT for the postdoctoral grant of R. Moury. The authors gratefully acknowledge the 'X-ray Diffusion and Diffraction' and the 'Electron Microscopy' technical platforms of IMMM (Le Mans University). Financial support from the TGIR-RMN-THC FR3050 CNRS for conducting the solid-state NMR experiments is gratefully acknowledged. DFT computations have been performed at the 'Centre de Calcul Scientifique en Région Centre' facility (CCRS, Orléans, France) under the CASCIMODOT program. The authors also thank Alain Jouanneaux (IMMM) for help for the DoE., and ANR-20-CE08-0026,OPIFCat,Fluorures inorganiques poreux ordonnés comme catalyseurs hétérogènes efficients(2020)
Subjects: Thermogravimetric analysis, Materials science, Nanostructure, Nanoparticle, Sorption, 02 engineering and technology, General Chemistry, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Solvent, Hydrogen storage, Transmission electron microscopy, Specific surface area, General Materials Science, 0210 nano-technology, Nuclear chemistry
Abstract: International audience; In this work, the synthesis of β-AlF3–x(OH)x nanoparticles with very high specific surface area (SSA) using a microwave-assisted solvothermal process is reported. The influence of synthesis parameters on the morphology and SSA was investigated, and the nature of the solvent is shown to have the greatest impact. Five samples prepared using different solvent mixtures were deeply characterized by thermogravimetric analysis (TGA), N2 sorption, powder X-ray diffraction, transmission electron microscopy (TEM), and 19F and 27Al high-field solid-state NMR. Their SSAs range from 25 to 345 m2·g–1 with an associated OH content slightly increasing from ≈16% (AlF2.52(OH)0.48) to ≈19% (AlF2.42(OH)0.58), as estimated by TGA and 27Al high-field solid-state NMR. Compared to previous reference work [Dambournet, D., Chem. Mater. 2008, 204 1459−1469], β-AlF3–x(OH)x nanoparticles with SSAs up to 4 times larger were obtained. TEM revealed the formation of hollow nanostructures except when the surface exceeds 300 m2·g–1, in which case isolated nanoparticles are observed. The sample with the highest SSA also displaying an appealing cumulative pore volume of 0.060 cm3·g–1, its hydrogen adsorption capability was evaluated to show that β-AlF3–x(OH)x nanoparticles have a potential interest for hydrogen storage applications.
Published: 2021

17. Impact of the maturation process on soot particle aggregation kinetics and morphology

Author: Christophe Henry, Alexandre Poux, José Morán, Jérôme Yon, Complexe de recherche interprofessionnel en aérothermochimie (CORIA), 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), Stochastic Approaches for Complex Flows and Environment (CALISTO), Centre de Mise en Forme des Matériaux (CEMEF), MINES ParisTech - École nationale supérieure des mines de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-MINES ParisTech - École nationale supérieure des mines de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Inria Sophia Antipolis - Méditerranée (CRISAM), Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), ANR-18-CE05-0015,ASTORIA,Prise en compte de la morphologie des suies dans l'évaluation du rayonnement thermique des flammes et pour leurs diagnostics optiques dans des systèmes complexes(2018), 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), Mines Paris - PSL (École nationale supérieure des mines de Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Mines Paris - PSL (École nationale supérieure des mines de Paris), and The authors gratefully acknowledge the support provided by ANR ASTORIA under the research grant ANR-18-CE05-0015 and the Region of Normandy RIN Gazpropres project. The authors also thank the CRIANN numerical resources supported by the Normandy region. C. Henry acknowledge the OPAL infrastructure from Université Côte d’Azur and Inria Sophia Antipolis - Méditerranée.'NEF' computation platform for providing resources and support.
Subjects: Work (thermodynamics), Materials science, Kinetics, Van der Waal, 02 engineering and technology, 010402 general chemistry, medicine.disease_cause, 01 natural sciences, Aggregation, [SPI]Engineering Sciences [physics], Soot, medicine, General Materials Science, ComputingMilieux_MISCELLANEOUS, Premixed flame, Rebound, [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment, Laminar flow, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Particle aggregation, Chemical physics, Particle-size distribution, Maturity, Sticking probability, 0210 nano-technology, Electrostatic, OPAL-Meso
Abstract: International audience; Mature soot aggregates exhibit a morphology which is currently mimicked by diffusion-limited aggregation (DLCA) codes, i.e. with a sticking probability = 1 when two aggregates collide. Nevertheless, nascent soot particles may grow in the reaction-limited aggregation regime (RLCA), i.e. with a sticking probability ≪ 1. Yet, it remains to be seen how fast the transition from RLCA to DLCA occurs for soot particles and what is the impact on aggregation kinetics, particle size distribution and morphology. This work intends to fill this gap by exploring the aggregation of soot particles formed in a laminar premixed flame through numerical simulations. Results show that the transition from RLCA to DLCA is very fast and produces a moderate impact on soot formation dynamics and morphology. However, soot particles mass bulk density is found to play an important role and should be considered in future simulations of soot formation in flames.
Published: 2021

18. Controlling the Carbon-Bio Interface via Glycan Functional Adlayers for Applications in Microbial Fuel Cell Bioanodes

Author: Paula E. Colavita, Eoin M. Scanlan, Frédéric Barrière, Timothé Philippon, Adam Myles, Alessandro Iannaci, Trinity College Dublin, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 799175 (HiBriCarbon). The results of this publication reflect only the authors’ views and the Commission is not responsible for any use that may be made of the information it contains. This publication has also emanated from research conducted with the financial support of Science Foundation Ireland under Grant No. 13/CDA/2213 and 19/FFP/6761. The authors thank the France-Ireland PHC ULYSSES programme for support, project 36028UB. F.B. thanks Rennes Métropole for the co-funding of a Quartz Crystal Microbalance. T.P. thanks Région Bretagne for the co-funding of his PhD., Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Microbial fuel cell, microbial fuel cells, Bioelectric Energy Sources, Pharmaceutical Science, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, Electrocatalyst, 01 natural sciences, Article, Analytical Chemistry, QD241-441, bioanodes, Polysaccharides, Drug Discovery, electrocatalysis, [CHIM]Chemical Sciences, Graphite, Physical and Theoretical Chemistry, Electrodes, carbon, Organic Chemistry, Adhesiveness, Quartz crystal microbalance, 021001 nanoscience & nanotechnology, 6. Clean water, 0104 chemical sciences, Anode, aryldiazonium, Chemical engineering, chemistry, Chemistry (miscellaneous), Biofilms, Electrode, Molecular Medicine, Surface modification, functionalization, 0210 nano-technology, Carbon, Hydrophobic and Hydrophilic Interactions, bioelectrochemical systems
Abstract: International audience; Surface modification of electrodes with glycans was investigated as a strategy for modulating the development of electrocatalytic biofilms for microbial fuel cell applications. Covalent attachment of phenyl-mannoside and phenyl-lactoside adlayers on graphite rod electrodes was achieved via electrochemically assisted grafting of aryldiazonium cations from solution. To test the effects of the specific bio-functionalities, modified and unmodified graphite rods were used as anodes in two-chamber microbial fuel cell devices. Devices were set up with wastewater as inoculum and acetate as nutrient and their performance, in terms of output potential (open circuit and 1 kΩ load) and peak power output, was monitored over two months. The presence of glycans was found to lead to significant differences in startup times and peak power outputs. Lactosides were found to inhibit the development of biofilms when compared to bare graphite. Mannosides were found, instead, to promote exoelectrogenic biofilm adhesion and anode colonization, a finding that is supported by quartz crystal microbalance experiments in inoculum media. These differences were observed despite both adlayers possessing thickness in the nm range and similar hydrophilic character. This suggests that specific glycan-mediated bioaffinity interactions can be leveraged to direct the development of biotic electrocatalysts in bioelectrochemical systems and microbial fuel cell devices.
Published: 2021

19. Flower‐like nitrogen‐Co‐doped MoS2@rgo composites with excellent stability for supercapacitors

Author: Min Li, Ahmed Addad, Rabah Boukherroub, Pascal Roussel, Yuan Zhang, Mohammed A. Amin, Sabine Szunerits, Alexandre Barras, Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), Unité Matériaux et Transformations - UMR 8207 (UMET), 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), Laboratoire des Sciences du Climat et de l'Environnement [Gif-sur-Yvette] (LSCE), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), NanoBioInterfaces - IEMN (NBI - IEMN), Université catholique de Lille (UCL)-Université catholique de Lille (UCL)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), The authors thank the Centre National de la Recherche Scientifique (CNRS), the University of Lille, and the Hauts-de-France region for financial support. The authors acknowledge financial support from the Taif University Researchers Supporting Project number (TURSP-2020/03), Taif University, Taif, SaudiArabia., Institut de Chimie du CNRS (INC)-Institut National de la Recherche Agronomique (INRA)-Centre National de la Recherche Scientifique (CNRS)-Université de Lille-Ecole Nationale Supérieure de Chimie de Lille (ENSCL), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), and 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
Subjects: Ammonium molybdate, Supercapacitor, Materials science, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 7. Clean energy, 01 natural sciences, Nitrogen, Capacitance, Catalysis, Energy storage, Hydrothermal circulation, 0104 chemical sciences, chemistry.chemical_compound, [SPI]Engineering Sciences [physics], chemistry, Electrochemistry, Composite material, 0210 nano-technology, Molybdenum disulfide, Co doped
Abstract: International audience; Nitrogen-co-doped MoS2@rGO composites (named hereafter N-MoS2@N-RGO) are prepared by the hydrothermal method using dicyandiamide or hydrazine monohydrate as the nitrogen source. N-MoS2@rGO is obtained by the hydrothermal reaction of thioacetamide, ammonium molybdate and GO precursors in the presence of dicyandiamide, while N-MoS2@N-RGO is synthesized using the same precursors in the presence of hydrazine monohydrate as the nitrogen source. On the one hand, N-MoS2@RGO displays excellent performance and good capacitance value of 335 F/g acquired at 0.5A/g and improved stability (∼94% of the original capacitance is preserved after 5000 cycles). On the other hand, compared with N-MoS2@RGO, N-MoS2@N-RGO possesses a slightly higher capacitance of 340 F/g recorded at 0.5A/g and better cycling stability (∼98% of its original value after 5000 cycles). Taken together, the results of this investigation clearly indicate that the fabricated composites have application prospect in energy storage devices.
Published: 2021

20. Simple models efficiently predict free cadmium Cd2+ in the solutions of low-contaminated agricultural soils

Author: Yoann Viala, Christophe Nguyen, Sylvie Bussiere, Cécile Coriou, Valérie Sappin-Didier, Interactions Sol Plante Atmosphère (UMR ISPA), Ecole Nationale Supérieure des Sciences Agronomiques de Bordeaux-Aquitaine (Bordeaux Sciences Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), The authors wish to thank Arvalis - Institut du Vegetal for providing financial support and soil samples used in this work through the Cadur (CR127518) and CaDON (Project ANR-15-CE21-0001) projects, as well as the QUASAPROVE network for providing soil samples. The authors are thesis grant of Y. Viala was funded by Inrae and Arvalis Institut du Vegetal (CR147538) ., and ANR-15-CE21-0001,CaDON,Cadmium et Deoxynivalenol dans les récoltes de blé dur: comprendre les évènements de contamination croisée et évaluer la toxicité du mélange.(2015)
Subjects: Environmental Engineering, 010504 meteorology & atmospheric sciences, media_common.quotation_subject, chemistry.chemical_element, 010501 environmental sciences, 01 natural sciences, Modelling, Soil pH, Dissolved organic carbon, Linear regression, Environmental Chemistry, Reactivity (chemistry), Waste Management and Disposal, DOM, 0105 earth and related environmental sciences, media_common, Cadmium, Chemistry, Ligand, Free Cd2+, Availability, Pollution, Speciation, WHAM VII, Environmental chemistry, Soil solution, Soil water, [SDE]Environmental Sciences
Abstract: International audience; Speciation of Cd in soil solutions strongly determines the fate of this toxic metal in the environment. Generally, in soil solutions, Cd predominantly binds to the dissolved organic matter (DOM). The determination of the quantity and reactivity of DOM that actually complexes Cd in soil solutions is challenging for operational purposes. Therefore, this study tested whether Cd2+ concentration in soil solutions could effectively be predicted by considering complexation with a single mean organic ligand assumed to be a fraction of DOM of unspecified nature or assumed to be purely fulvic acids (FA) with reactivity as described in WHAM VII. The reactivity of the unspecified ligand and the concentration of FA were modelled and fitted to experimental data from 76 agricultural soils with low Cd contents. The optimal reactivity and FA concentration that minimized the relative error (RE) of predictions of the concentration of Cd2+ in soil solutions were either considered constant across soils or modelled from soil properties by multiple linear regressions (MLR) or random forests (RF), giving 6 models, the predictive value of which was assessed by 10-folds cross-validation. When the reactivity of the mean ligand and the optimal FA concentration were considered constant across soils, the models were biased and 66.9% of predictions had relative errors below a factor of 2. By contrast, if the reactivity of the mean ligand or the optimal FA concentration were allowed to vary with soil characteristics, these performances increased to 95.5%, soil pH being the main predictor and RF being slightly more efficient than MLR. With more than 95% of the relative errors of prediction below a factor of 2, the models developed in this work could be valuable for assessing Cd speciation in the solution of soils having a low Cd content.
Published: 2021

21. Phylogenetic analysis of HIV-1 shows frequent cross-country transmission and local population expansions

Author: Rasmus L. Marvig, Jaclyn A. Bennet, Magnus Gisslén, Anna Zhukova, Man-Hung Eric Tang, Jens D Lundgren, Paula Munderi, Michael Worobey, Kiat Ruxrungtham, Marc Bennedbæk, University of Copenhagen = Københavns Universitet (UCPH), Hub Bioinformatique et Biostatistique - Bioinformatics and Biostatistics HUB, Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS), University of the Witwatersrand [Johannesburg] (WITS), UVRI Uganda research Unit on AIDS, Medical Research Council, Chulalongkorn University [Bangkok], University of Gothenburg (GU), Sahlgrenska University Hospital [Gothenburg], University of Arizona, Rigshospitalet [Copenhagen], Copenhagen University Hospital, The primary funder of the START trial was NIAID (grant numbers UM1-AI068641, UM1-AI120197 and 1U01-AI136780). This study was made possible through a grant from the Danish National Research Foundation (grant number 126). Additional support was obtained from the National Institute of Allergy and Infectious Diseases, National Institutes of Health Clinical Center, National Cancer Institute, National Heart, Lung, and Blood Institute, Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institute of Mental Health, National Institute of Neurological Disorders and Stroke, National Institute of Arthritis and Musculoskeletal and Skin Diseases, Agence Nationale de Recherches sur le SIDA et les Hépatites Virales (France), National Health and Medical Research Council (Australia), Bundesministerium für Bildung und Forschung (Germany), European AIDS Treatment Network, Medical Research Council (United Kingdom), National Institute for Health Research, National Health Service (United Kingdom), and University of Minnesota. Antiretroviral drugs were donated to the central drug repository by AbbVie, Bristol-Myers Squibb, Gilead Sciences, GlaxoSmithKline/ViiV Healthcare, Janssen Scientific Affairs, and Merck. MW was supported by NIH/NIAID R01AI084691, The authors would like to specifically thank the participants in the START trial. See N Engl J Med 2015, 373:795–807 for the complete list of START investigators. The authors would like to thank the reviewers and the handling editor for help to improve the manuscript., University of Copenhagen = Københavns Universitet (KU), and Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS)
Subjects: 0106 biological sciences, 0301 basic medicine, Population, Biology, 010603 evolutionary biology, 01 natural sciences, Microbiology, Genome, law.invention, 03 medical and health sciences, law, Phylogenetics, Virology, Pandemic, Transmission, AcademicSubjects/MED00860, education, education.field_of_study, Genetic diversity, Phylogenetic tree, AcademicSubjects/SCI01130, AcademicSubjects/SCI02285, HIV, 3. Good health, Phylogeography, 030104 developmental biology, Transmission (mechanics), Evolutionary biology, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], Ancestral State Reconstruction, Research Article
Abstract: Understanding of pandemics depends on the characterization of pathogen collections from well-defined and demographically diverse cohorts. Since its emergence in Congo almost a century ago, Human Immunodeficiency Virus Type 1 (HIV-1) has geographically spread and genetically diversified into distinct viral subtypes. Phylogenetic analysis can be used to reconstruct the ancestry of the virus to better understand the origin and distribution of subtypes. We sequenced two 3.6-kb amplicons of HIV-1 genomes from 3,197 participants in a clinical trial with consistent and uniform sampling at sites across 35 countries and analyzed our data with another 2,632 genomes that comprehensively reflect the HIV-1 genetic diversity. We used maximum likelihood phylogenetic analysis coupled with geographical information to infer the state of ancestors. The majority of our sequenced genomes (n = 2,501) were either pure subtypes (A–D, F, and G) or CRF01_AE. The diversity and distribution of subtypes across geographical regions differed; USA showed the most homogenous subtype population, whereas African samples were most diverse. We delineated transmission of the four most prevalent subtypes in our dataset (A, B, C, and CRF01_AE), and our results suggest both continuous and frequent transmission of HIV-1 over country borders, as well as single transmission events being the seed of endemic population expansions. Overall, we show that coupling of genetic and geographical information of HIV-1 can be used to understand the origin and spread of pandemic pathogens.
Published: 2021

22. Non-enzymatic electrochemical cholesterol sensor based on strong host-guest interactions with a polymer of intrinsic microporosity (PIM) with DFT study

Author: Hamideh Imanzadeh, Neil B. McKeown, Mina Ghiasi, Sabine Szunerits, Mandana Amiri, Negin Jahani, Frank Marken, Rabah Boukherroub, University of Mohaghegh Ardabili, Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), NanoBioInterfaces - IEMN (NBI - IEMN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), University of Bath [Bath], The authors received support of this work from the University ofMohaghegh Ardabili Research Council, Ardabil, Iran (grant number3051234502)., Alzahra University, Université catholique de Lille (UCL)-Université catholique de Lille (UCL)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), School of Chemistry, University of Edinburgh, University of Edinburgh, and The authors received support of this work from the University of Mohaghegh Ardabili Research Council, Ardabil, Iran (grant number 3051234502).
Subjects: Models, Molecular, Analyte, Materials science, Polymers, 02 engineering and technology, Biosensing Techniques, engineering.material, 010402 general chemistry, Electrochemistry, DFT calculations, 01 natural sciences, Biochemistry, Analytical Chemistry, [SPI]Engineering Sciences [physics], Coating, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Limit of Detection, Humans, Polymer of intrinsic microporosity (PIM), Electrodes, Density Functional Theory, Detection limit, chemistry.chemical_classification, Methylene blue, Polymer, Electrochemical Techniques, 021001 nanoscience & nanotechnology, Carbon, 0104 chemical sciences, Electrochemical gas sensor, Methylene Blue, Cholesterol, Chemical engineering, chemistry, Electrochemical sensor, Reagent, engineering, Density functional theory, 0210 nano-technology, Porosity
Abstract: Advances in materials science have accelerated the development of diagnostic tools with the last decade witnessing the development of enzyme-free sensors, owing to the improved stability, low cost and simple fabrication of component materials. However, the specificity of non-enzymatic sensors for certain analytes still represents a challenging task, for example the determination of cholesterol level in blood is vital due to its medical relevance. In this work, a reagent displacement assay for cholesterol sensing in serum samples was developed. It is based on coating of a glassy carbon electrode with a polymer of intrinsic microporosity (PIM) that forms a host-guest complex with methylene blue (MB). In the presence of cholesterol, the MB electroactive probe was displaced due to the stronger association of cholesterol guest to the PIM host. The decrease in the oxidative current was proportional to the cholesterol concentration achieving a detection limit of approximately 0.1 nM. Moreover, to further assist the experimental studies, comprehensive theoretical calculations are also performed by using density functional theory (DFT) calculations. Graphical abstract: [Figure not available: see fulltext.].
Published: 2021

23. A High‐Affinity Calmodulin‐Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells

Author: Nicolas Rodriguez, Daniel Ladant, Maryline Davi, Ahmed Haouz, Bertrand Raynal, Darragh P. O'Brien, Alexis Voegele, Ariel E. Mechaly, Patrick Weber, Sébastien Brûlé, Pauline Gehan, Dominique Durand, Mirko Sadi, Sylviane Hoos, Sébastien Brier, Alexandre Chenal, Dorothée Raoux-Barbot, Patrice Vachette, Biochimie des Interactions Macromoléculaires / Biochemistry of Macromolecular Interactions, Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS), Université de Paris (UP), Laboratoire des biomolécules (LBM UMR 7203), Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-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)-Chimie Moléculaire de Paris Centre (FR 2769), Institut de Chimie du CNRS (INC)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), 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)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut National de la Santé et de la Recherche Médicale (INSERM), Biophysique Moléculaire (plateforme) - Molecular Biophysics (platform), Cristallographie (Plateforme) - Crystallography (Platform), Institut de Biologie Intégrative de la Cellule (I2BC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Plateforme technologique de RMN biologique - Biological NMR Technological Platform, A.V. was supported by a DIM MalInf grant from the region Ile‐de‐France. M.S. was supported by the Pasteur – Paris University (PPU) International PhD Program. D.P.O.B. was supported by Institut Pasteur (grants PasteurInnoV15006‐01A and PTR451). P.G. was supported by Sorbonne Université. Funding is acknowledged from Agence Nationale de la Recherche (grant number CACSICE Equipex ANR‐11‐EQPX‐0008). Region Ile de France (grant number DIM MalInf 2016), CNRS (UMR 3528), Institut Pasteur (grant numbers PasteurInnoV15006‐01A, PTR451 and PTR166‐19, PPUIP program). The funders have no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript., The authors acknowledge SOLEIL and ESRF for provision of synchrotron radiation facilities. The authors thank the staffs of the DISCO, PROXIMA‐1, and SWING beamlines for constant support and help during data collection (Synchrotron SOLEIL, St Aubin, France) and MASSIF (Synchrotron ESRF, Grenoble, France) beamlines for assistance during the X‐ray diffraction data collection., ANR-11-EQPX-0008,CACSICE,Centre d'analyse de systèmes complexes dans les environnements complexes(2011), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS), Université Paris Cité (UPCité), Chimie Moléculaire de Paris Centre (FR 2769), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Département de Chimie - ENS Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-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)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-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)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National de la Santé et de la Recherche Médicale (INSERM), Chenal, Alexandre, and Equipements d'excellence - Centre d'analyse de systèmes complexes dans les environnements complexes - - CACSICE2011 - ANR-11-EQPX-0008 - EQPX - VALID
Subjects: calmodulin, General Chemical Engineering, General Physics and Astronomy, Medicine (miscellaneous), 02 engineering and technology, [SDV.BBM.BM] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, 01 natural sciences, Bordetella pertussis, protein membrane interaction, General Materials Science, Internalization, Lipid bilayer, [SDV.BBM.BC] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], media_common, biology, Full Paper, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], Chemistry, General Engineering, Full Papers, 021001 nanoscience & nanotechnology, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, Protein Transport, Eukaryotic Cells, Adenylate Cyclase Toxin, 0210 nano-technology, Protein Binding, adenylate cyclase, Calmodulin, [SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], CyaA toxin, media_common.quotation_subject, Science, Antimicrobial peptides, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, protein–protein interactions, 010402 general chemistry, Biochemistry, Genetics and Molecular Biology (miscellaneous), Protein–protein interaction, Protein Domains, membrane translocation, Binding site, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], Binding Sites, [SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, cyaA, 0104 chemical sciences, Cytosol, Biophysics, biology.protein
Abstract: The molecular mechanisms and forces involved in the translocation of bacterial toxins into host cells are still a matter of intense research. The adenylate cyclase (CyaA) toxin from Bordetella pertussis displays a unique intoxication pathway in which its catalytic domain is directly translocated across target cell membranes. The CyaA translocation region contains a segment, P454 (residues 454–484), which exhibits membrane‐active properties related to antimicrobial peptides. Herein, the results show that this peptide is able to translocate across membranes and to interact with calmodulin (CaM). Structural and biophysical analyses reveal the key residues of P454 involved in membrane destabilization and calmodulin binding. Mutational analysis demonstrates that these residues play a crucial role in CyaA translocation into target cells. In addition, calmidazolium, a calmodulin inhibitor, efficiently blocks CyaA internalization. It is proposed that after CyaA binding to target cells, the P454 segment destabilizes the plasma membrane, translocates across the lipid bilayer and binds calmodulin. Trapping of CyaA by the CaM:P454 interaction in the cytosol may assist the entry of the N‐terminal catalytic domain by converting the stochastic motion of the polypeptide chain through the membrane into an efficient vectorial chain translocation into host cells., The mechanism of cell invasion by bacterial toxins is still poorly understood. The adenylate cyclase (CyaA) toxin from Bordetella pertussis, the causative agent of whooping cough, directly translocates its catalytic domain across plasma membranes. The membrane‐permeabilizing segment (yellow) of CyaA translocates across the plasma membrane and binds calmodulin (red), which assists the entry of the catalytic domain (blue) into host cells while the hydrophobic and acylation domains (green) interact with the membrane and the C‐terminal Repeat‐in‐Toxin domain (grey) remains in the extra‐cellular milieu.
Published: 2021

24. Cathodic pre-polarization studies on the carbon felt/KOH interface: An efficient metal-free electrocatalyst for hydrogen generation

Author: Rabah Boukherroub, Alexandre Barras, Toufik Hadjersi, Sabine Szunerits, Redouane Chegroune, Madjid Ifires, Ahmed Addad, Mohammed A. Amin, Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 (IEMN), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), NanoBioInterfaces - IEMN (NBI - IEMN), Université catholique de Lille (UCL)-Université catholique de Lille (UCL)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université de Lille, UDL, Centre National de la Recherche Scientifique, CNRS, and The authors gratefully acknowledge financial support from the Centre National de la Recherche Scientifique (CNRS), the University of Lille, and the Hauts-de-France region. The authors are also thankful to the Taif University Researchers Supporting Project number (TURSP-2020/03), Taif University, Taif, Saudi Arabia.
Subjects: Materials science, General Chemical Engineering, Inorganic chemistry, 02 engineering and technology, engineering.material, Overpotential, 010402 general chemistry, Electrocatalyst, Electrochemistry, 01 natural sciences, Cathodic protection, [SPI]Engineering Sciences [physics], Polarization (electrochemistry), Carbon felt, Tafel equation, Alkaline electrolytes, Chronoamperometry, 021001 nanoscience & nanotechnology, Hydrogen evolution reaction, 0104 chemical sciences, engineering, Noble metal, 0210 nano-technology, Cathodic activation, Electrocatalysis
Abstract: International audience; The recent decades have witnessed a booming research effort on the development of highly active electrode materials in electrocatalysis with the aim to replace the commonly used noble metal-based ones. Although non-noble metal electrodes can fulfill some requirements in terms of performance and price, their stability in alkaline media is generally weak. Additionally, from the environmental view point, the use of metals can cause water contamination. Therefore, the preparation of metal-free electrocatalysts represents an appealing approach to overcome the above-mentioned shortcuts. In this work, we used a simple electrochemical activation process, chronoamperometry measurements conducted in 1 M KOH at various overpotentials (−2, −2.5, −3, and −4 V vs. RHE) and pre-polarization periods (0.5, 2, 4, and 12 h), of commercially available and cheap carbon felt (CF) electrode to achieve good performance for hydrogen evolution reaction (HER) in alkaline media. Under optimized operating conditions (12 h of chronoamperometry measurement acquired at an overpotential of −4 V vs. RHE), the CF electrode exhibited an overpotential of 182 mV at 10 mA/cm2, a value surpassing that recorded for the most efficacious metal-free HER electrocatalysts published in the literature. The two CF samples exposed to 12 h of cathodic activation at −2.5 and −3.0 V vs. RHE recorded respectively Tafel slope (bc) values of 110 and 126 mV dec−1. These bc values are close to the standard bc value of 120 mV dec−1, suggesting the Volmer step as the main step controlling the HER. Increasing the applied cathodic potential to −4.0 V vs. RHE further decreased the bc value to 90 mV dec−1, referring to increased accessible active catalytic sites for the HER. The cathodically activated CF surface's morphology and composition were assessed by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) examinations. Raman spectroscopy was also conducted to assess the influence of the cathodic activation process on the structural defects/disorder of the CF surface. The formation of oxygen-containing groups on the CF surface after cathodic activation, as evidenced from XPS analysis, is believed to enhance water adsorption and act as active sites for hydrogen generation. The technique developed herein is simple and straightforward and can be easily implemented for almost any type of electrode.
Published: 2021

25. IR GRIN lenses prepared by ionic exchange in chalcohalide glasses

Author: Xianghua Zhang, Mathieu Rozé, Thierry Pain, Enora Lavanant, Laurent Calvez, Francis Gouttefangeas, Yann Guimond, Claire Fourmentin, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Umicore IR Glass, Synthèse Caractérisation Analyse de la Matière (ScanMAT), Centre National de la Recherche Scientifique (CNRS)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut de Chimie du CNRS (INC), The authors are grateful to the French DGA, Direction Générale de l’Armement (project ANR-18-ASTR-0014) for supporting this work. Authors would like to acknowledge the IUF (Institut Universitaire de France). This publication is supported by the European Union through the European Regional Development Fund (ERDF), the Ministry of Higher Education and Research, the french region of Brittany and Rennes Métropole., ANR-18-ASTR-0014,IRGRIN,Optiques InfraRouges moulable à GRadient d'INdice de réfraction à base de verres de chalcogénures(2018), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université de Rennes (UR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials for devices, Materials science, Infrared, Chalcogenide, Science, Diffusion, Analytical chemistry, Halide, Ionic bonding, 02 engineering and technology, 01 natural sciences, Article, 010309 optics, chemistry.chemical_compound, 0103 physical sciences, [CHIM]Chemical Sciences, Multidisciplinary, Ion exchange, Glasses, 021001 nanoscience & nanotechnology, Alkali metal, chemistry, Medicine, 0210 nano-technology, Refractive index, Materials for optics
Abstract: In order to decrease the number of lenses and the weight of thermal imaging devices, specific optical design are required by using gradient refractive index (GRIN) elements transparent in the infrared waveband. While widely used for making visible GRIN lenses with silicate glasses, the ion exchange process is very limited when applied to chalcogenide glasses due to their low Tg and relatively weak mechanical properties. In this paper, we develop chalco-halide glasses based on alkali halide (NaI) addition in a highly covalent GeSe2–Ga2Se3 matrix, efficient for tailoring a significant and permanent change of refractive by ion exchange process between K+ and Na+. Optical and structural properties of the glass samples were measured showing a diffusion length reaching more than 2 mm and a Gaussian gradient of refractive index Δn of 4.5.10–2. The obtained GRIN lenses maintain an excellent transmission in the second (3–5 µm) and third (8–12 µm) atmospheric windows.
Published: 2021

26. Metal-free mechanochemical oxidations in Ertalyte® jars

Author: Lidia De Luca, Evelina Colacino, Andrea Porcheddu, Claudia Fattuoni, Francesco Delogu, Universita degli Studi di Cagliari [Cagliari], University of Sassari, 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 The authors acknowledge Form-Tech Scientific for the loan of the FTS-1000 Shaker Mill® apparatus (Form-Tech Scientific, Canada, https://formtechscientific.com/). Authors are grateful to MIUR (Italy, PRIN project: multifunctional polymer composites based on grown materials). A. P. is grateful to MIUR for 'Finanziamento delle Attività Base di Ricerca (FABR 2017)'.
Subjects: Green chemistry, 010402 general chemistry, 01 natural sciences, Redox, Full Research Paper, Catalysis, lcsh:QD241-441, chemistry.chemical_compound, lcsh:Organic chemistry, Mechanochemistry, NaOCl·5H 2 O, lcsh:Science, Ertalyte ®, Primary (chemistry), Ertalyte®, 010405 organic chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, green chemistry, Organic Chemistry, AZADO, [CHIM.CATA]Chemical Sciences/Catalysis, Combinatorial chemistry, selective oxidation, 0104 chemical sciences, Chemistry, chemistry, Metal free, NaOCl·5H2O, Sodium hypochlorite, lcsh:Q, mechanochemistry, TEMPO
Abstract: Aimed at eliminating or at least significantly reducing the use of solvents, sodium hypochlorite pentahydrate crystals (NaOCl·5H2O) in the presence of a catalytic amount of a nitrosyl radical (TEMPO or AZADO) have been successfully used to induce mechanochemical oxidative processes on several structurally different primary and secondary alcohols. The proposed redox process is safe, inexpensive and performing effectively, especially on the macroscale. Herein, an Ertalyte® jar has been successfully used, for the first time, in a mechanochemical process.
Published: 2019

27. Aluminum substitution for vanadium in the Na3V2(PO4)2F3 and Na3V2(PO4)2FO2 type materials

Author: Dany Carlier, Laurence Croguennec, Thibault Broux, François Fauth, Jacob Olchowka, Christian Masquelier, Paula Sanz Camacho, Emmanuel Petit, Long H. B. Nguyen, 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), 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), Advanced Lithium Energy Storage Systems - ALISTORE-ERI (ALISTORE-ERI), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire réactivité et chimie des solides - UMR CNRS 7314 (LRCS), Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), ALBA Synchrotron light source [Barcelone], The authors thank the RS2E and Alistore-ERI Networks for the funding, as well as the financial support of Région Nouvelle Aquitaine, of the French National Research Agency (STORE-EX Labex Project ANR-10-LABX-76-01 and SODIUM Descartes project ANR-13-DESC-0001-02) and of the H2020 research and innovation program under the Grant Agreement No. 646433-NAIADES. The authors also want to thank C. DENAGE, A. FARGUES and E. LEBRAUD (ICMCB) for their help., ANR-10-LABX-0076,STORE-EX,Laboratory of excellency for electrochemical energy storage(2010), ANR-13-DESC-0001,SODIUM,Batteries à ions sodium pour des robots télécommandés(2013), European Project: 646433,H2020,H2020-LCE-2014-3,NAIADES(2015), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), and Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Inorganic chemistry, Vanadium, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, Electrochemistry, 01 natural sciences, Catalysis, Aluminium, Oxidation state, Materials Chemistry, Electrode material, Final product, Substitution (logic), Metals and Alloys, [CHIM.MATE]Chemical Sciences/Material chemistry, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry, Ceramics and Composites, 0210 nano-technology, Solid solution
Abstract: International audience; Among the positive electrode materials for Na-ion batteries, Na3V2(PO4)2F3 is considered as one of the most promising and generates high interest. Here, we study the influence of the sol–gel synthesis parameters on the structure and on the electrochemical signature of the partially substituted Na3V2−zAlz(PO4)2(F,O)3 materials. We demonstrate that the acidity of the starting solution influences the vanadium oxidation state of the final product. For the first time we report on the possibility of controlling the double Al/V and O/F substitution that leads to the preparation of the Na3V2−zAlz(PO4)2F1+zO2−z solid solution.
Published: 2019

28. Phylogeny and evolution of the genus Ctenocolum Kingsolver & Whitehead (Coleoptera, Chrysomelidae, Bruchinae), with the description of three new species

Author: Cibele S. Ribeiro-Costa, Gael J. Kergoat, Daiara Manfio, Isaac Reis Jorge, Universidade Tecnológica Federal do Paraná [Curitiba] (UTFPR), Laboratório de Sistemática e Bioecologia de Coleoptera, Departamento de Zoologia, Universidade Federal do Paraná (UFPR), Universidade Federal do Parana [Curitiba] (UFPR), Centre de Biologie pour la Gestion des Populations (UMR CBGP), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Institut National de la Recherche Agronomique (INRA)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université de Montpellier (UM)-Institut de Recherche pour le Développement (IRD [France-Sud])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), We thank Alexander Konstantinov and Elisabeth Roberts, United States National Museum, Smithsonian Institution, that kindly received the two first authors in the USNM and for the loan of specimens that enable this study, and the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) for the scholarship for the first author and the Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) for the scholarships for the second and fourth authors. This is the contribution number 1937 of the Departamento de Zoologia, Universidade Federal do Parana, Curitiba, Brazil.
Subjects: 0106 biological sciences, Biogeography, 010607 zoology, Zoology, Biology, 010603 evolutionary biology, 01 natural sciences, taxonomy, Monophyly, Genus, Phylogenetics, bruchinae, phylogenetic analyses, Western hemisphere, biogeography, Ecology, Evolution, Behavior and Systematics, new species, Synapomorphy, Ecology, Phylogenetic tree, [SDV.BA]Life Sciences [q-bio]/Animal biology, 15. Life on land, acanthoscelidina, host plants, Insect Science, Type locality, Taxonomy (biology)
Abstract: The seed beetle genus Ctenocolum Kingsolver & Whitehead is peculiar because its preferred host Lonchocharpus Kunth (Fabaceae) is not preyed upon by other bruchine species. This study investigates the phylogenetic relationships and evolution of this genus and of its species groups, while providing the description of three new species and of the male of C. biolleyi Kingsolver & Whitehead. To infer phylogenetic relationships, a character matrix of 40 morphological characters was assembled and analysed using both parsimony and Bayesian inference. Ancestral state estimations of host plant use and biogeography analyses were also performed. A total of 22 species were examined: 16 Ctenocolum species (including the three new ones) and six outgroup bruchine species (from genera Caryedes Hummel, Meibomeus Bridwell, Pygiopachymerus Pic and Pachymerus Thunberg). All resulting trees support the monophyly of the genus Ctenocolum. Three synapomorphies characterize the genus: (i) head with frontal carina enlarged at base, (ii) male pygidium truncated apically, and (iii) lateral lobes of tegmen with dorsal process. The two known species groups are also recovered monophyletic in the parsimony analyses. The following three species are described: Ctenocolum inmaculatus Manfio & Ribeiro-Costa sp. nov. (Type locality: Venezuela, Guarico), which belongs to the group tuberculatum; Ctenocolum nigronotus Manfio & Ribeiro-Costa sp. nov. (Type locality: Porto Rico, Mayaguez) and C. pallidus Manfio & Ribeiro-Costa sp. nov. (Type locality: Republic of Guyana), which belong to the group podagricus. Finally, we present colored illustrations of dorsal patterns and male genitalia for these three new species and C. biolleyi in addition to an updated key for the genus Ctenocolum.
Published: 2018

29. Antifungal activity of combined treatments of active methylcellulose-based films containing encapsulated nanoemulsion of essential oils and γ–irradiation: in vitro and in situ evaluations

Author: Peter A. Follett, Carole Fraschini, Monique Lacroix, Farah Hossain, Khanh Dang Vu, Majid Jamshidian, Stephane Salmieri, Institut Armand Frappier (INRS-IAF), Institut National de la Recherche Scientifique [Québec] (INRS)-Réseau International des Instituts Pasteur (RIIP), US Pacific Basin Agricultural Research Center [Hilo], USDA-ARS : Agricultural Research Service, FPInnovations, The authors are grateful to The Ministère de l’Enseignement Supérieur, de la Recherche, de la Science et de la Technologie, the Natural Sciences and Engineering Research Council (NSERC) of Canada and the United States Department of Agriculture-Agricultural Research Service, U.S. Pacific Basin Agricultural Research Center, for supporting this research. IAEA is also acknowledged for financial support through the research coordinating meeting (RCM no: F22063)., and The authors acknowledge Nordion Inc. for providing γ irradiation treatment.
Subjects: Nanocomposite, Polymers and Plastics, Chemistry, Active packaging, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, law.invention, chemistry.chemical_compound, [SDV.MP]Life Sciences [q-bio]/Microbiology and Parasitology, law, Methyl cellulose, Ultimate tensile strength, Emulsion, Particle size, Cellulose, 0210 nano-technology, Essential oil, Nuclear chemistry
Abstract: International audience; Microfluidization was used to develop methyl cellulose (MC)/cellulose nanocrystal CNC based nanocomposite films containing a plant essential oil (EO) blend (oregano: thyme) emulsion. A three factorial experimental design was used to systematically optimize the microfluidization pressure based on size and antifungal activity of the prepared emulsion. Results showed that microfluidization of the film forming dispersions provide a novel approach for the development of high strength bionanocomposite films. Incorporation of 7.5% CNC into MC containing 0.50–0.75% EO and application of a pressure of 15 k psi (103 MPa) created a nanoemulsion with particle size ≤ 100 nm which exhibited significant antifungal activity in vitro against Aspergillus niger, A. flavus, A. parasiticus and P. chrysogenum. In situ tests with MC/CNC based bioactive films containing EO emulsion produced a 2 log reduction in fungal growth in infected rice during 8 weeks of storage at 28 °C. Methyl cellulose nanocomposite films containing EOs nanoemulsion showed a slow release (35%) of volatile component over 12 weeks of storage period. The addition of CNC as reinforcing filler improved the tensile strength of the MC based films by 30% and decreased water barrier and release properties by 9 and 25% respectively. In addition, combined treatment of bioactive films with an irradiation treatment at 750 Gy showed more pronounced antifungal and mechanical properties than treatment with the bioactive film or irradiation alone. These results show the potential for EO-loaded methyl cellulose-based films to prolong shelf life of food products.
Published: 2018

30. Local null controllability of a model system for strong interaction between internal solitary waves

Author: Sergio Guerrero, Ademir F. Pazoto, Jon Asier Bárcena-Petisco, Laboratoire Jacques-Louis Lions (LJLL), Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Universidad Autonoma de Madrid (UAM), Fundación Deusto, Instituto de Matemática da Universidade Federal do Rio de Janeiro (IM / UFRJ), Universidade Federal do Rio de Janeiro (UFRJ), This project has received funding from the European Research Council(ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agree-ment No 694126-DyCon). The first author has been supported by grants from Région Ile-de-France. The first and second authors have been supported by the Agence Nationale de la Recherche (France) research project IFSMACS(ANR-15-CE40-0010). The third author was supported by Conselho Nacional de Desenvolvimento Cientı́fico e Tecnológico (Brazil) and Coordenação de Aperfeiçoamento de Pessoal de Nı́vel Superior through Program Print-Capes (Brazil)., ANR-15-CE40-0010,IFSMACS,Interaction Fluide-Structure : Modélisation, analyse, contrôle et simulation(2015), European Project: DYCON, Bárcena-Petisco, Jon-Asier, Défi de tous les savoirs - Interaction Fluide-Structure : Modélisation, analyse, contrôle et simulation - - IFSMACS2015 - ANR-15-CE40-0010 - AAPG2015 - VALID, Dynamic Control - DYCON - INCOMING, The first author has been supported by grants from Région Ile-de-France.The first and second authors have been supported by the Agence Nationale de la Recherche (France) research project IFSMACS(ANR-15-CE40-0010). The third author was supported by Conselho Nacional de Desenvolvimento Cientı́fico e Tecnológico (Brazil) and Coordenação de Aperfeiçoamento de Pessoal de Nı́vel Superior through Program Print-Capes (Brazil)., Instituto de Matemática (UFRJ), The first author has been supported by grants from Région Ile-de-France.The first and second authors have been supported by the Agence Nationale de la Recherche (France)research project IFSMACS(ANR-15-CE40-0010). The third author was supported by ConselhoNacional de Desenvolvimento Cientı́fico e Tecnológico (Brazil) and Coordenação de Aperfeiçoamentode Pessoal de Nı́vel Superior through Program Print-Capes (Brazil)., and Universidad Autónoma de Madrid (UAM)
Subjects: Applied Mathematics, General Mathematics, Mathematical analysis, Strong interaction, Inversion (meteorology), Model system, [MATH.MATH-OC] Mathematics [math]/Optimization and Control [math.OC], 01 natural sciences, Parabolic partial differential equation, null controllability, 010101 applied mathematics, Controllability, Internal gravity wave, Nonlinear system, internal control, Bounded function, Korteweg-de Vries systems, [MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP], [MATH.MATH-OC]Mathematics [math]/Optimization and Control [math.OC], 0101 mathematics, [MATH.MATH-AP] Mathematics [math]/Analysis of PDEs [math.AP], Carleman inequalities, Mathematics
Abstract: In this paper, we prove the local null controllability property for a nonlinear coupled system of two Korteweg–de Vries equations posed on a bounded interval and with a source term decaying exponentially on [Formula: see text]. The system was introduced by Gear and Grimshaw to model the interactions of two-dimensional, long, internal gravity waves propagation in a stratified fluid. We address the controllability problem by means of a control supported on an interior open subset of the domain and acting on one equation only. The proof consists mainly on proving the controllability of the linearized system, which is done by getting a Carleman estimate for the adjoint system. While doing the Carleman, we improve the techniques for dealing with the fact that the solutions of dispersive and parabolic equations with a source term in [Formula: see text] have a limited regularity. A local inversion theorem is applied to get the result for the nonlinear system.
Published: 2021

31. Modeling the precipitation processes and the formation of hierarchical microstructures in a single crystal high entropy superalloy

Author: Hideyuki Murakami, Wei Che Hsu, An-Chou Yeh, Stéphane Gorsse, Yung Ta Chen, 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), Department of Materials Science and Engineering, National Tsing Hua University [Hsinchu] (NTHU), High Entropy Materials Center, Research Center for Structural Materials, National Institute for Materials Science (NIMS), Department of Nanoscience and Nanoengineering, Waseda University, Authors would like to thank Dr. K. Kawagishi and Mr. Y. Takada from National Institute for Materials Science (NIMS) for single crystal casting supply. And, authors acknowledge funding supports from Ministry of Science and Technology (MOST) in Taiwan under Grant MOST108-2218-E-007-005, MOST109-2634-F-007-024, and MOST109-2811-E-007-500, and the 'High Entropy Materials Center' from The Featured Areas Research Center Program within the framework of the Higher Education Sprout Project by the Ministry of Education.
Subjects: 010302 applied physics, Materials science, Precipitation (chemistry), Mechanical Engineering, Kinetics, Metals and Alloys, Nucleation, Thermodynamics, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Microstructure, 01 natural sciences, Superalloy, 13. Climate action, Mechanics of Materials, 0103 physical sciences, Thermal, Ultimate tensile strength, General Materials Science, 0210 nano-technology, Single crystal
Abstract: International audience; Although superior high temperature tensile yield strength of high entropy superalloys (HESAs) arises from their hierarchical microstructure, the precipitation processes driving its formation remains unclear. In the present study, we analyze the kinetics of γ’ and γ precipitations by treating the concurrent nucleation, growth and coarsening using common computational thermodynamic and kinetic tools to simulate the microstructure genesis and evolution in HESA during thermal treatments. The ability of the simulations to reproduce the experimentally observed microstructure parameters is evaluated. Temperature-time-transformation (TTT) diagrams are calculated to serve as guidelines for further optimization of the hierarchical microstructure of HESAs.
Published: 2021

32. First mixed-metal fluoride pyrochlores obtained by topotactic oxidation of ammonium fluorides under F2 gas

Author: Annie Hémon-Ribaud, Elena M. Arroyo-de Dompablo, Kévin Lemoine, Romain Moury, Emilio Morán, Veyis Gunes, Jérôme Lhoste, Etienne Durand, Marc Leblanc, Cyrille Galven, Jean-Marc Greneche, Vincent Maisonneuve, Institut des Molécules et Matériaux du Mans (IMMM), Le Mans Université (UM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), 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), Departamento de Quimica Inorganica y Bioinorganica [Madrid], Universidad Complutense de Madrid = Complutense University of Madrid [Madrid] (UCM), and The authors thank the French Research Ministry for a doctoral grant. The authors attached to the IMMM institute gratefully acknowledge the 'X-ray Diffusion and Diffraction' and the 'Electron Microscopy' technical platforms of IMMM (Le Mans University). E.M. thanks the MINECO and Agencia Estatal de Investigación (AEI)/Fondo Europeo de Desarrollo Regional (FEDER/UE) for funding the Projects MAT2016-78362-C4-4-R and PID2019-106662RB-C44.
Subjects: Anions, Materials science, Inorganic chemistry, Pyrochlore, chemistry.chemical_element, engineering.material, Tungsten, 010402 general chemistry, 01 natural sciences, Catalysis, Metal, chemistry.chemical_compound, Chemical structure, Cations, Oxidation, General Materials Science, Ammonium, Bronze, 010405 organic chemistry, General Chemistry, Transition metals, [CHIM.MATE]Chemical Sciences/Material chemistry, Condensed Matter Physics, 0104 chemical sciences, chemistry, visual_art, Electrode, visual_art.visual_art_medium, engineering, Fluoride
Abstract: International audience; Metal fluorides with 3D open structures, pyrochlore (pyr) or hexagonal tungsten bronze (HTB), are promising materials as positive electrodes for rechargeable batteries or catalysts. Herein, we have developed a two-step synthesis procedure to obtain new anhydrous mixed-metal-cation fluorides crystallizing in the pyrochlore structure. The first step consists of preparing mixed-metal ammonium fluorides (NH4)M2+Fe3+F6 (M = Mn, Fe, Co Ni) using different synthesis strategies. For M = Mn, three allotropic varieties of (NH4)Mn2+Fe3+F6 are obtained; two phases adopt the expected pyrochlore network with either the cubic Fm3̅m or the orthorhombic Pnma space group, and the third phase exhibits a 3D network with narrow pseudotriangular cavities. 57Fe Mössbauer spectrometry indicates that the crystal structures are governed by the Fe3+/Mn2+ cationic order or disorder. The second step is a topotactic oxidation of pyr-(NH4)M2+Fe3+F6 under a molecular F2 flow. To better understand the reaction mechanism, the topotactic oxidation was followed by thermogravimetry, XRD, FTIR, and Mössbauer spectrometry. The successful synthesis of the first anhydrous pyr-M3+0.5Fe0.5F3 provides a new route to prepare anhydrous mixed-metal fluorides pyrochlore with empty cavities of the open framework.
Published: 2021

33. How to account for the uncertainty from standard toxicity tests in species sensitivity distributions: An example in non-target plants

Author: Virginie Ducrot, Sandrine Charles, Dan Wu, Laboratoire de Biométrie et Biologie Evolutive - UMR 5558 (LBBE), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS), Modélisation et écotoxicologie prédictives, Département biostatistiques et modélisation pour la santé et l'environnement [LBBE], Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Laboratoire de Biométrie et Biologie Evolutive - UMR 5558 (LBBE), Bayer Cropscience, and The European Crop Protection Association(ECPA,https://www.ecpa.eu) financially supported this work.The funder provided support in the form of salaries for authors [DW],but did not have any additional role in the study design,data collection and analysis,decision to publish,or preparation of the manuscript.The specific roles of these authors are articulated in the‘author contributions’ section.One of the author [VD] is employed by a commercial company (Bayer AG, Crop Science).This author collected and made available the raw data used for the modelling work and participated to the preparation of the manuscrip tbut had no role in the study design,data analysis and data interpretation.
Subjects: 0211 other engineering and technologies, 02 engineering and technology, 010501 environmental sciences, Ecotoxicology, Toxicology, Pathology and Laboratory Medicine, 01 natural sciences, 010104 statistics & probability, Mathematical and Statistical Techniques, [MATH.MATH-ST]Mathematics [math]/Statistics [math.ST], Statistics, Range (statistics), Credible interval, Medicine and Health Sciences, Evolutionary Emergence, Mathematics, [STAT.AP]Statistics [stat]/Applications [stat.AP], Multidisciplinary, Ecology, Pharmaceutics, Hazard ratio, Dosage Regimen Design Methods, Eukaryota, Agriculture, Plants, Censoring (statistics), [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], Curve Fitting, Physical Sciences, Probability distribution, Medicine, [SDV.TOX.ECO]Life Sciences [q-bio]/Toxicology/Ecotoxicology, Agrochemicals, [STAT.ME]Statistics [stat]/Methodology [stat.ME], Research Article, Drug Research and Development, Evolutionary Processes, Science, Posterior probability, Log Dose-Response Method, Plant Development, Context (language use), Research and Analysis Methods, Models, Biological, [SDV.EE.ECO]Life Sciences [q-bio]/Ecology, environment/Ecosystems, [MATH.MATH-GM]Mathematics [math]/General Mathematics [math.GM], Species Specificity, Frequentist inference, Toxicity Tests, Point estimation, 0101 mathematics, 0105 earth and related environmental sciences, Pharmacology, 021110 strategic, defence & security studies, Evolutionary Biology, Herbicides, Ecology and Environmental Sciences, Organisms, Biology and Life Sciences, Probability Theory, Probability Distribution, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, [SDE.ES]Environmental Sciences/Environmental and Society, Confidence interval, Toxicity Testing, Seedlings, [SDE.BE]Environmental Sciences/Biodiversity and Ecology, Mathematical Functions, Test data, [SDV.EE.IEO]Life Sciences [q-bio]/Ecology, environment/Symbiosis
Abstract: This research proposes new perspectives accounting for the uncertainty on 50% effective rates (ER50) as interval input for species sensitivity distribution (SSD) analyses and evaluating how to include this uncertainty may influence the 5% Hazard Rate (HR5) estimation. We explored various endpoints (survival, emergence, shoot-dry-weight) for non-target plants from seven standard greenhouse studies that used different experimental approaches (vegetative vigour vs. seedling emergence) and applied seven herbicides at different growth stages. Firstly, for each endpoint of each study, a three-parameter log-logistic model was fitted to experimental toxicity test data for each species under a Bayesian framework to get a posterior probability distribution for ER50. Then, in order to account for the uncertainty on the ER50, we explored two censoring criteria to automatically censor ER50 taking the ER50 probability distribution and the range of tested rates into account. Secondly, based on dose-response fitting results and censoring criteria, we considered input ER50 values for SSD analyses in three ways (only point estimates chosen as ER50 medians, interval-censored ER50 based on their 95% credible interval and censored ER50 according to one of the two criteria), by fitting a log-normal distribution under a frequentist framework to get the three corresponding HR5 estimates. We observed that SSD fitted reasonably well when there were at least six distinct intervals for the ER50 values. By comparing the three SSD curves and the three HR5 estimates, we shed new light on the fact that both propagating the uncertainty from the ER50 estimates and including censored data into SSD analyses often leads to smaller point estimates of HR5, which is more conservative in a risk assessment context. In addition, we recommend not to focus solely on the point estimate of the HR5, but also to look at the precision of this estimate as depicted by its 95% confidence interval.
Published: 2021

34. Luminescence, chiroptical, magnetic and ab initio crystal-field characterizations of an enantiopure helicoidal Yb( iii ) complex

Author: Stephan Guy, Amina Bensalah-Ledoux, Francesco Zinna, Guillaume Pilet, Laure Guy, Lorenzo Di Bari, Sebastiano Di Pietro, François Riobé, Olivier Cador, Olivier Maury, Boris Le Guennic, Yannick Guyot, Virginie Placide, Bruno Baguenard, Fabrice Pointillart, Laura Abad Galán, Frédéric Gendron, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie - UMR5182 (LC), École normale supérieure de Lyon (ENS de Lyon)-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), University of Pisa - Università di Pisa, Matériaux et nanostructures photoniques (MNP), 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), Luminescence (LUMINESCENCE), Laboratoire des Multimatériaux et Interfaces (LMI), F.G and B.L.G thank the French GENCI/IDRIS‐CINES center for high‐performance computing resources. F.G. andB.L.G. acknowledge the Stratégie d’Attractivité Durable (SAD18006—LnCPLSMM). Authors acknowledge supportfrom Agence Nationale de la Recherche (SMMCPL ANR-19-CE29-0012-02) and the European Research Councilunder the European Union’s Horizon 2020 research and innovation program (ERC-CoG MULTIPROSMM, Grantagreement No. 725184). All authors are indebted to J.-H. van Vleck for illuminating the richness and complexity oflanthanide optical spectra., ANR-19-CE29-0012,SMMCPL,Luminescence polarisée circulairement de molécules-aimants à base de lanthanide(2019), European Project: 725184,H2020-EU.1.1. - EXCELLENT SCIENCE - European Research Council (ERC),MULTIPROSMM(2017), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École normale supérieure - Lyon (ENS Lyon)-Institut de Chimie du CNRS (INC), and Université de Lyon-Université de Lyon
Subjects: Materials science, Field (physics), 010405 organic chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Ab initio, Electronic structure, 010402 general chemistry, 01 natural sciences, Molecular physics, Spectral line, 0104 chemical sciences, Inorganic Chemistry, Crystal, Ab initio quantum chemistry methods, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Wave function, Luminescence
Abstract: International audience; The electronic structure of a chiral Yb(III)-based complex is fully determined by taking advantage of experimental magnetic, luminescence, and chiroptical (NIR-ECD and CPL) characterizations in combination with ab initio wavefunction calculations. The combined use of these techniques allows determining with high resolution the electronic structure diagram as well as the nature of the different states involved in the magnetic and chiroptical properties of the investigated complex. The crystal-field picture deduced from spectroscopic measurements (absorption and emission) is used to reproduce the magnetic properties. Subsequently, advanced ab initio calculations demonstrate that global chiroptical spectra correspond to the sum of entangled transitions with similar or opposite polarizations.
Published: 2021

35. Quantification of structure-property relationships for plant polyesters reveals suberin and cutin idiosyncrasies

Author: Rúben Rodrigues, Ana S. Tomé, Nathalie Geneix, Cristina Silva Pereira, Artur Bento, Johann Petit, Bénédicte Bakan, Carlos J. S. Moreira, Rita Escórcio, Vanessa G. Correia, Christophe Rothan, Oleksandr O. Mykhaylyk, Instituto de Tecnologia Química e Biológica António Xavier (ITQB), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA), Unité de recherche sur les Biopolymères, Interactions Assemblages (BIA), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Biologie du fruit et pathologie (BFP), Université de Bordeaux (UB)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), University of Sheffield [Sheffield], European Project: 647928,H2020,ERC-2014-CoG,MIMESIS(2015), European Project: 713475,FLIPT, and The authors acknowledge funding from the European Research Council through grant ERC 2014-CoG-647928, from the European Union's Horizon 2020 research and innovation program within the project 713475-FLIPT-H2020-FETOPEN-2014-2015, and from Fundacao para a Ciencia e Tecnologia (FCT) by Project MOSTMICRO ITQB with refs UIDB/04612/2020 and UIDP/04612/2020. The NMR data were acquired at CERMAX, ITQB NOVA, Oeiras, Portugal, with equipment funded by FCT. C.J.S.M. is grateful to Aralab, Portugal, for the PhD contract 06/PlantsLife/2017. O.O.M. thanks EPSRC for a capital equipment grant to purchase the Xenocs/Excillum SAXS/WAXS laboratory beamline (EP/M028437/1). The authors are thankful to Pedro Lamosa and Maria C. Leita~o (ITQB NOVA) for support with the NMR and chromatographic analyses, respectively, and to James Yates (ITQB NOVA) for proofreading the manuscript.
Subjects: 0106 biological sciences, General Chemical Engineering, plant industrial residues, [SDV]Life Sciences [q-bio], biopolymers, Cutin, 01 natural sciences, ionic liquids, 03 medical and health sciences, Suberin, Environmental Chemistry, [SDV.BV]Life Sciences [q-bio]/Vegetal Biology, crystallinity, 030304 developmental biology, 0303 health sciences, Polymer science, Renewable Energy, Sustainability and the Environment, Chemistry, thermal resistance, Structure property, food and beverages, General Chemistry, Polyester, quantitative NMR, Research Article, 010606 plant biology & botany
Abstract: Polyesters, as they exist in planta, are promising materials with which to begin the development of “green” replacements. Cutin and suberin, polyesters found ubiquitously in plants, are prime candidates. Samples enriched for plant polyesters, and in which their native backbones were largely preserved, were studied to identify “natural” structural features; features that influence critical physical properties. Quantitative nuclear magnetic resonance (NMR), differential scanning calorimetry (DSC), and X-ray scattering methods were used to quantify structure–property relationships in these polymeric materials. The degree of esterification, namely, the presence of acylglycerol linkages in suberin and of secondary esters in cutin, and the existence of mid-chain epoxide groups defining the packing of the aliphatic chains were observed. This packing determines polymer crystallinity, the resulting crystal structure, and the melting temperature. To evaluate the strength of this rule, tomato cutin from the same genotype, studying wild-type plants and two well-characterized mutants, was analyzed. The results show that cutin’s material properties are influenced by the amount of unbound aliphatic hydroxyl groups and by the length of the aliphatic chain. Collectively, the acquired data can be used as a tool to guide the selection of plant polyesters with precise structural features, and hence physicochemical properties., A detailed insight into plant polyesters identifies correlations of structural features with physical properties that are translated into five essential rules for the development of novel green materials.
Published: 2021
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36. Reconciling the Carbon Balance of Northern Sweden Through Integration of Observations and Modelling

Author: Anne Klosterhalfen, Anusha Sathyanadh, Christoph Gerbig, Matthias Peichl, Wouter Peters, Vladislav Bastrikov, Zhendong Wu, Hjalmar Laudon, Guillaume Monteil, Marko Scholze, Mats Nilsson, Swedish University of Agricultural Sciences (SLU), Department of Physical Geography and Ecosystem Science [Lund], Lund University [Lund], Max Planck Institute for Biogeochemistry (MPI-BGC), Max-Planck-Gesellschaft, Wageningen University and Research [Wageningen] (WUR), Laboratoire des Sciences du Climat et de l'Environnement [Gif-sur-Yvette] (LSCE), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), European Commission, EC, Svenska Forskningsrådet Formas, National Science Council, NSC: 2018‐05973, Vetenskapsrådet, VR, Kempestiftelserna: 942‐2015‐49, JCK‐1815, The first author, Anusha Sathyanadh, acknowledges a Postdoctoral Scholarship funded by the Kempe Foundations (grant no: JCK-1815). A grant (no. 942-2015-49) from the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning (FORMAS) funded the tall tower eddy covariance measurements at Svartberget. Financial support from the Swedish Research Council and research institutes contributing to the Swedish Integrated Carbon Observation System (ICOS-Sweden) and Research Infrastructure from the Swedish Infrastructure for Ecosystem Science (SITES) is also acknowledged. Marko Scholze and Guillaume Monteil acknowledge support from the three Swedish strategic research areas ModElling the Regional and Global earth system (MERGE), the e-science collaboration (eSSENCE), and Biodiversity and Ecosystems in a Changing Climate (BECC). The computations were enabled with resources provided by the Swedish National Infrastructure for Computing (SNIC) at NSC partially funded by the Swedish Research Council through grant agreement no. 2018-05973. We thank Greet Janssens-Meanhout (European Commission, Joint Research Center, 790 Ispra, Italy) for providing the fuel type and category specific version of the EDGAR v4.3 anthropogenic emission data and Hugo Denier van der Gon (TNO, The Netherlands) for making the temporal emission profiles available. We also thank the PIs of the atmospheric stations at ICOS Svartberget, Norunda, Hyltemossa, Puijo, Pallas, and Hyytiala (SE-SVB, SE-NOR, SE-HTM, FI-PUI, FI-PAL, and FI-SMR) for providing data on atmospheric CO2 concentrations. The authors thank the staff at the SLU Unit for Field-Based Forest Research for technical and logistic support at the Svartberget station., The first author, Anusha Sathyanadh, acknowledges a Postdoctoral Scholarship funded by the Kempe Foundations (grant no: JCK‐1815). A grant (no. 942‐2015‐49) from the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning (FORMAS) funded the tall tower eddy covariance measurements at Svartberget. Financial support from the Swedish Research Council and research institutes contributing to the Swedish Integrated Carbon Observation System (ICOS‐Sweden) and Research Infrastructure from the Swedish Infrastructure for Ecosystem Science (SITES) is also acknowledged. Marko Scholze and Guillaume Monteil acknowledge support from the three Swedish strategic research areas ModElling the Regional and Global earth system (MERGE), the e‐science collaboration (eSSENCE), and Biodiversity and Ecosystems in a Changing Climate (BECC). The computations were enabled with resources provided by the Swedish National Infrastructure for Computing (SNIC) at NSC partially funded by the Swedish Research Council through grant agreement no. 2018‐05973. We thank Greet Janssens‐Meanhout (European Commission, Joint Research Center, 790 Ispra, Italy) for providing the fuel type and category specific version of the EDGAR v4.3 anthropogenic emission data and Hugo Denier van der Gon (TNO, The Netherlands) for making the temporal emission profiles available. We also thank the PIs of the atmospheric stations at ICOS Svartberget, Norunda, Hyltemossa, Puijo, Pallas, and Hyytiala (SE‐SVB, SE‐NOR, SE‐HTM, FI‐PUI, FI‐PAL, and FI‐SMR) for providing data on atmospheric CO concentrations. The authors thank the staff at the SLU Unit for Field‐Based Forest Research for technical and logistic support at the Svartberget station. 2, Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ), and Meteorology and Air Quality Department [Wageningen] (MAQ)
Subjects: 0106 biological sciences, Atmospheric Science, 010504 meteorology & atmospheric sciences, net ecosystem exchange, chemistry.chemical_element, Luchtkwaliteit, 010603 evolutionary biology, 01 natural sciences, Air Quality, vegetation model, Environmental protection, Earth and Planetary Sciences (miscellaneous), [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, 0105 earth and related environmental sciences, [SDU.OCEAN]Sciences of the Universe [physics]/Ocean, Atmosphere, WIMEK, boreal biome, 15. Life on land, FLEXPART, Geophysics, Balance (accounting), atmospheric transport model, chemistry, tall tower eddy covariance, Meteorology and Atmospheric Sciences, 13. Climate action, Space and Planetary Science, Net ecosystem exchange, Environmental science, Carbon
Abstract: International audience; The boreal biome plays an important role in the global carbon cycle. However, current estimates of its sink-source strength and responses to changes in climate are primarily derived from models and thus remain uncertain. A major challenge is the validation of these models at a regional scale since empirical flux estimates are typically confined to ecosystem or continental scales. The Integrated Carbon Observation System (ICOS)-Svartberget atmospheric station (SVB) provides observations including tall tower eddy covariance (EC) and atmospheric concentration measurements that can contribute to such validation in Northern Sweden. Thus, the overall aim of this study was to quantify the carbon balance in Northern Sweden region by integrating land-atmosphere fluxes and atmospheric carbon dioxide (CO2) concentrations. There were three specific objectives. First, to compare flux estimates from four models (VPRM, LPJ-GUESS, ORCHIDEE, and SiBCASA) to tall tower EC measurements at SVB during the years 2016–2018. Second to assess the fluxes' impact on atmospheric CO2 concentrations using a regional transport model. Third, to assess the impact of the drought in 2018. The comparison of estimated concentrations with ICOS observations helped the evaluation of the models' regional scale performance. Both the simulations and observations indicate there were similar reductions in the net CO2 uptake during drought. All the models (except for SiBCASA) and observations indicated the region was a net carbon sink during the 3-year study period. Our study highlights a need to improve vegetation models through comparisons with empirical data and demonstrate the ICOS network's potential utility for constraining CO2 fluxes in the region.
Published: 2021

37. ELIXIR and Toxicology : a community in development

Author: Noelia Ramirez, Iseult Lynch, Nikolaos S. Thomaidis, Ralf J. M. Weber, Hilda Witters, Evan E Bolton, Antony Williams, Pavel Babica, Susanna-Assunta Sansone, Kasia Arturi, Anže Županič, Gerard J.P. van Westen, Karine Audouze, Sergio Martinez Cuesta, Tobias Schulze, Jos Bessems, Dimitrios Damalas, Montserrat Cases, Penny Nymark, Ferran Sanz, Uko Maran, Haralambos Sarimveis, Ludek Blaha, Jaroslav Slobodnik, Jos C. S. Kleinjans, Todor Kondic, Hristo Aladjov, Egon Willighagen, Hervé Ménager, Brett Sallach, Danyel Jennen, Sirarat Sarntivijai, Roland C. Grafström, Rob Stierum, Jonathan Tedds, John M. Hancock, Reza M. Salek, Boï Kone, Karel Berka, Herbert Oberacher, Craig E. Wheelock, Steffen Neumann, Alasdair J. G. Gray, Pascal Kahlem, Sylvie Remy, Emma L. Schymanski, Marco Dilger, Ola Spjuth, Barbara Zdrazil, Marvin Martens, Kirtan Dave, Jana Klánová, Henner Hollert, Daan P. Geerke, Philippe Rocca-Serra, Nina Jeliazkova, Thomas Exner, Chris T. Evelo, Fabien Jourdan, Reza Aalizadeh, Department of Bioinformatics, Maastricht University Medical Center (BiGCaT), The Netherlands Organisation for Applied Scientific Research (TNO), Luxembourg Centre For Systems Biomedicine (LCSB), University of Luxembourg [Luxembourg], Maastricht Centre for Systems Biology, Maastricht University Medical Center (MaCSBio), National and Kapodistrian University of Athens (NKUA), Bulgarian Academy of Sciences (BAS), Swiss Federal Institute of Aquatic Science & Technology (EAWA), Toxicité environnementale, cibles thérapeutiques, signalisation cellulaire (T3S - UMR_S 1124), Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Research Centre for Toxic Compounds in the Environment [Brno] (RECETOX / MUNI), Faculty of Science [Brno] (SCI / MUNI), Masaryk University [Brno] (MUNI)-Masaryk University [Brno] (MUNI), Palacky University Olomouc, Flemish Institute for Technological Research (VITO), National Center for Biotechnology Information (NCBI), Chemotargets SL, GSFC University, Forschungs- und Beratungsinstitut Gefahrstoffe GmbH (FoBiG), Seven Past Nine, Vrije Universiteit Amsterdam [Amsterdam] (VU), Karolinska Institutet [Stockholm], Misvik Biology, Heriot-Watt University [Edinburgh] (HWU), ELIXIR Hub [Cambridge], Goethe-University Frankfurt am Main, Ideaconsult, Maastricht University [Maastricht], ToxAlim (ToxAlim), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Ecole Nationale Vétérinaire de Toulouse (ENVT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), MetaboHUB-MetaToul, MetaboHUB-Génopole Toulouse Midi-Pyrénées [Auzeville] (GENOTOUL), Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Faculté de Médecine, de pharmacie et d’Odonto-Stomatologie [Bamako, Mali] (FMPOS), Université de Bamako, University of Birmingham [Birmingham], University of Tartu, AstraZeneca [Cambridge, UK], Hub Bioinformatique et Biostatistique - Bioinformatics and Biostatistics HUB, Institut Pasteur [Paris] (IP)-Université Paris Cité (UPCité), Institut Français de Bioinformatique (IFB-CORE), Institut National de Recherche en Informatique et en Automatique (Inria)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Leibniz Institute of Plant Biochemistry (IPB), Innsbruck Medical University = Medizinische Universität Innsbruck (IMU), Universitat Rovira i Virgili, University of Oxford, Centre International de Recherche contre le Cancer - International Agency for Research on Cancer (CIRC - IARC), Organisation Mondiale de la Santé / World Health Organization Office (OMS / WHO), University of York [York, UK], Universitat Pompeu Fabra [Barcelona] (UPF), National Technical University of Athens [Athens] (NTUA), Helmholtz Zentrum für Umweltforschung = Helmholtz Centre for Environmental Research (UFZ), Environmental Institute Kos, Uppsala University, Leiden Academic Center for Drug Research, United States Environmental Protection Agency [Cincinnati], University of Vienna [Vienna], National Institute of Biology [Ljubljana] (NIB), This work received funding from the European Union’s Horizon 2020 research infrastrcuture programme via the OpenRiskNet project under grant agreement No. 731075.This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 681002 (EU-ToxRisk).This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 814572.SN acknowledges BMBF funding under grant number 031L0107.This work was supported by OBERON (https://oberon-4eu.com), a project funded by the European Union's Horizon 2020 research and innovation program under the grant agreement No. 825712.This work was supported by the European Union,'s Horizon 2020 research and innovation program HBM4EU, grant agreement No. 733032 (https://www.hbm4eu.eu).Supported by the European Union’s Horizon 2020 programme under the Marie Skłodowska-Curie grant agreement No. 859891.Where authors are identified as personnel of the International Agency for Research on Cancer/World Health Organization, the authors alone are responsible for the views expressed in this article, and they do not necessarily represent the decisions, policy, or views of the International Agency for Research on Cancer/World Health Organization.This work was supported by the European Union,'s Horizon 2020 research and innovation program HARMLESS, grant agreement No. 953183.This work was supported by the European Union,'s Horizon 2020 research and innovation program Gov4Nano, grant agreement No. 814401.This work was supported by the Swedish Fund for Research Without Animal Experiments under grant number N2020-0005.This work was supported by the European Union,'s Horizon 2020 research and innovation program NTS-EXPOSURE, Grant agreement ID: 896141.This work was supported by the European Union,'s LIFE program LIFE-APEX, Grant agreement ID: LIFE17 ENV/SK/000355.This study was funded by the German Environment Agency within the PHION project (grant number 3718 674150).The Data Readiness Group is supported, in this ELIXIR Community, by the H2020 Precision Toxicology project (H2020-EU 965406).The Data Readiness Group is supported, in this ELIXIR Community, by the Wellcome ISA-InterMine project (208381/A/17/Z).The Data Readiness Group is supported, in this ELIXIR Community, by the Wellcome FAIRsharing project (212930/Z/18/Z).This work received funding from the European Union’s Horizon 2020 research and innovation programme RiskGONE Project under grant agreement No. 814425.NR's research is funded by a Miguel Servet contract (CO19/00060) from Instituto de Salud Carlos III, cofinanced by the European Union.UM (Uni. of Tartu) is grateful for support to Ministry of Education and Research, Republic of Estonia through Estonian Research Council (grant number IUT34-14) and to European Union European Regional Development Fund through Foundation Archimedes (grant number TK143, Centre of Excellence in Molecular Cell Engineering).Development and Implementation of a Sustainable Modelling Platform for NanoInformatics.Linking LRI Ambit chemoinformatic system with the IUCLID substance database to support read-across of substance endpoint data and category formation.This work was supported by the French Ministry of Research and National Research Agency as part of the French MetaboHUB, the national metabolomics and fluxomics infrastructure (Grant ANR-INBS-0010).This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement GOLIATH No. 825489., ANR-11-INBS-0010,METABOHUB,Développement d'une infrastructure française distribuée pour la métabolomique dédiée à l'innovation(2011), European Project: 681002,H2020,H2020-PHC-2015-single-stage_RTD,EU-ToxRisk(2016), European Project: 825712,H2020-EU.3.1.1. - Understanding health, wellbeing and disease,H2020-SC1-2018-Single-Stage-RTD,OBERON(2019), European Project: 733032,H2020,HBM4EU(2017), European Project: 814425,RiskGONE, European Project: 825489,H2020,GOLIATH(2019), Université de Toulouse (UT)-Ecole d'Ingénieurs de Purpan (INP - PURPAN), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Vétérinaire de Toulouse (ENVT), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Génopole Toulouse Midi-Pyrénées [Auzeville] (GENOTOUL), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Ménager, Hervé, Développement d'une infrastructure française distribuée pour la métabolomique dédiée à l'innovation - - METABOHUB2011 - ANR-11-INBS-0010 - INBS - VALID, An Integrated European ‘Flagship’ Program Driving Mechanism-based Toxicity Testing and Risk Assessment for the 21st Century - EU-ToxRisk - - H20202016-01-01 - 2021-12-31 - 681002 - VALID, An integrative strategy of testing systems for identification of EDs related to metabolic disorders - OBERON - - H2020-EU.3.1.1. - Understanding health, wellbeing and disease2019-01-01 - 2019-12-31 - 825712 - VALID, European Human Biomonitoring Initiative - HBM4EU - - H20202017-01-01 - 2021-12-31 - 733032 - VALID, Risk Governance of Nanotechnology - RiskGONE - 814425 - INCOMING, and Beating Goliath: Generation Of NoveL, Integrated and Internationally Harmonised Approaches for Testing Metabolism Disrupting Compounds - GOLIATH - - H20202019-01-19 - 2023-12-31 - 825489 - VALID
Subjects: Interoperability, Context (language use), interoperability, Predictive toxicology, Multidisciplinary, general & others [F99] [Life sciences], Pharmacology and Toxicology, 010501 environmental sciences, Toxicology, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, 03 medical and health sciences, Multidisciplinaire, généralités & autres [F99] [Sciences du vivant], General Pharmacology, Toxicology and Pharmaceutics, Chemical risk, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM], 030304 developmental biology, 0105 earth and related environmental sciences, computer.programming_language, FAIR, 0303 health sciences, Government, General Immunology and Microbiology, General Medicine, Farmakologi och toxikologi, Sketch, 3. Good health, ELIXIR, [SDV.TOX] Life Sciences [q-bio]/Toxicology, [SDV.TOX]Life Sciences [q-bio]/Toxicology, Elixir (programming language), [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], computer
Abstract: International audience; Toxicology has been an active research field for many decades, with academic, industrial and government involvement. Modern omics and computational approaches are changing the field, from merely disease-specific observational models into target-specific predictive models. Traditionally, toxicology has strong links with other fields such as biology, chemistry, pharmacology and medicine. With the rise of synthetic and new engineered materials, alongside ongoing prioritisation needs in chemical risk assessment for existing chemicals, early predictive evaluations are becoming of utmost importance to both scientific and regulatory purposes. ELIXIR is an intergovernmental organisation that brings together life science resources from across Europe. To coordinate the linkage of various life science efforts around modern predictive toxicology, the establishment of a new ELIXIR Community is seen as instrumental. In the past few years, joint efforts, building on incidental overlap, have been piloted in the context of ELIXIR. For example, the EU-ToxRisk, diXa, HeCaToS, transQST, and the nanotoxicology community have worked with the ELIXIR TeSS, Bioschemas, and Compute Platforms and activities. In 2018, a core group of interested parties wrote a proposal, outlining a sketch of what this new ELIXIR Toxicology Community would look like. A recent workshop (held September 30th to October 1st, 2020) extended this into an ELIXIR Toxicology roadmap and a shortlist of limited investment-high gain collaborations to give body to this new community. This Whitepaper outlines the results of these efforts and defines our vision of the ELIXIR Toxicology Community and how it complements other ELIXIR activities.
Published: 2021

38. Existence and Dynamics of Strains in a Nonlocal Reaction-Diffusion Model of Viral Evolution

Author: Vladimir Popov, Nikolai Bessonov, Gennady Bocharov, Vitaly Volpert, Andreas Meyerhans, Institute of Mechanical Engineering Problems [St. Petersburg] (IPME), Russian Academy of Sciences [Moscow] (RAS), Institute of Numerical Mathematics [Moscou] (INM-RAS), Institució Catalana de Recerca i Estudis Avançats (ICREA), Peoples Friendship University of Russia [RUDN University] (RUDN), Institut Camille Jordan [Villeurbanne] (ICJ), École Centrale de Lyon (ECL), Université de Lyon-Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université Jean Monnet [Saint-Étienne] (UJM)-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Multi-scale modelling of cell dynamics : application to hematopoiesis (DRACULA), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-École Centrale de Lyon (ECL), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre de génétique et de physiologie moléculaire et cellulaire (CGPhiMC), 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), The work of the first, second, third, and fifth authors was supported by the RussianScience Foundation through grant 18-11-00171. The work of the fourth and fifth authors was partially supported by the RUDN University Strategic Academic Leadership Program. The work of thesecond author was partially supported by Moscow Center for Fundamental and Applied Mathematics, agreement with the Ministry of Education and Science of the Russian Federation 075-15-2019-1624. The work of the third author was supported by a grant from the Spanish Ministry of Economy, Industry, and Competitiveness and FEDER grant SAF2016-75505-R (AEI/MINEICO/FEDER, UE) and by the Maria de Maeztu Programme for Units of Excellence in R&D (MDM-2014-0370)., Université de Lyon-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Université Jean Monnet [Saint-Étienne] (UJM)-Centre National de la Recherche Scientifique (CNRS), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Université Jean Monnet [Saint-Étienne] (UJM)-Centre National de la Recherche Scientifique (CNRS)-École Centrale de Lyon (ECL), Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Université Jean Monnet [Saint-Étienne] (UJM)-Centre National de la Recherche Scientifique (CNRS)-Inria Grenoble - Rhône-Alpes, Institut Camille Jordan (ICJ), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Jean Monnet - Saint-Étienne (UJM)-Centre National de la Recherche Scientifique (CNRS), Centre de génétique et de physiologie moléculaire et cellulaire (CGPhiMC), 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)-Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Institut Camille Jordan (ICJ), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Jean Monnet - Saint-Étienne (UJM)-Centre National de la Recherche Scientifique (CNRS)-École Centrale de Lyon (ECL), and Modélisation mathématique, calcul scientifique (MMCS)
Subjects: viruses, genotype, Biology, 01 natural sciences, Virus, immune response, Reaction–diffusion system, Genotype, Host organism, virus infection, [MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP], Genotip, 0101 mathematics, Treatment resistance, Applied Mathematics, Dynamics (mechanics), nonlocal interaction AMS subject classification. 35K57, 3. Good health, Fenotip, 010101 applied mathematics, virus density distribution, Density distribution, Evolutionary biology, Viral evolution, Matemàtica, human activities, Virus -- Evolució, resistance to treatment
Abstract: International audience; In this work, we develop a mathematical framework for predicting and quantifying virus diversity evolution during infection of a host organism. It is specified as a virus density distribution with respect to genotype and time governed by a reaction-diffusion integro-differential equation taking virus mutations, replication, and elimination by immune cells and medical treatment into account. Conditions for the existence of virus strains that correspond to localized density distributions in the space of genotypes are determined. It is shown that common viral evolutionary traits like diversification and extinction are driven by nonlocal interactions via immune responses, target-cell competition, and therapy. This provides us with a mechanistic explanation for clinically relevant properties like immune escape and drug resistance selection, and allows us to link virus genotypes to phenotypes.
Published: 2021

39. Application of pyridine-modified chitosan derivative for simultaneous adsorption of Cu(II) and oxyanions of Cr(VI) from aqueous solution

Author: Yara Luiza Coelho, Damien Prim, Filipe Simões Teodoro, Fernanda Jorge Gonçalves, Liliane Catone Soares, Guilherme Max Dias Ferreira, Laurent Frédéric Gil, Luis Henrique Mendes da Silva, Leandro Vinícius Alves Gurgel, 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), ANR-11-LABEX-0039 Conselho Nacional de Desenvolvimento Científico e Tecnológico, CNPq: 422507/2018-0, 400739/2014-3, ANR-11-BS07-030-01 Conselho Nacional de Desenvolvimento Científico e Tecnológico, CNPq Fundação de Amparo à Pesquisa do Estado de Minas Gerais, FAPEMIG Fundação de Amparo à Pesquisa do Estado de Minas Gerais, FAPEMIG: CEX-APQ-01764-14, and The authors are grateful for research support provided by Universidade Federal de Ouro Preto ( UFOP ), Fundação de Amparo à Pesquisa do Estado de Minas Gerais ( FAPEMIG , grant number CEX-APQ-01764-14), Conselho Nacional de Desenvolvimento Científico e Tecnológico ( CNPq PVE grant number 400739/2014-3, CNPq grant number 422507/2018-0, ANR (ANR-11-BS07-030-01)), LabEx CHARMMMAT (ANR-11-LABEX-0039), and the University of Versailles Saint-Quentin-en-Yvelines . The authors are also grateful to FAPEMIG for a Master's scholarship awarded to F. J. Gonçalves.
Subjects: Chromium, Environmental Engineering, Pyridines, Metal ions in aqueous solution, 0208 environmental biotechnology, Inorganic chemistry, chemistry.chemical_element, 02 engineering and technology, 010501 environmental sciences, Management, Monitoring, Policy and Law, 01 natural sciences, chemistry.chemical_compound, Adsorption, One-step synthesis, Desorption, Pyridine, [CHIM]Chemical Sciences, Waste Management and Disposal, 0105 earth and related environmental sciences, Chitosan, Real adsorbed solution theory, Aqueous solution, Isothermal titration calorimetry, General Medicine, Hydrogen-Ion Concentration, Copper, 020801 environmental engineering, Kinetics, pyridine-2-carbaldehyde, chemistry, Corsel model, copper, Corsel model. 1. Introduction, Water Pollutants, Chemical
Abstract: International audience; The bioadsorbent C1, which is a chitosan derivative prepared in a one-step synthesis, was successfully used to adsorb Cr(VI) and Cu(II) simultaneously. Here, for the first time the simultaneous adsorption of a cation and an anion was modeled using the Corsel model for kinetics and the Real Adsorbed Solution Theory model for equilibrium data. Batch studies of the adsorption of Cu(II) and Cr(VI) in single and binary aqueous solutions were performed as a function of initial solute concentration, contact time, and solution pH. The maximum adsorption capacities of C1 in single and binary aqueous solutions were 1.84 and 1.13 mmol g−1 for Cu(II) and 3.86 and 0.98 mmol g−1 for Cr(VI), respectively. The reuse of C1 was investigated, with Cu(II) ions being almost completely desorbed and fully re-adsorbed. For Cr(VI), the desorption was incomplete resulting in a lower re-adsorption. Energy-dispersive X-ray spectroscopy was used for mapping the distributions of Cr(VI) and Cu(II) adsorbed on the C1 surface in single and binary adsorption systems. Isothermal titration calorimetry experiments were performed for Cr(VI) and Cu(II) adsorption in single solutions. The thermodynamic parameters of adsorption showed that the adsorption of both metal ions was enthalpically driven, but entropically unfavorable.
Published: 2021

40. Controlled nanostructuration of cobalt oxyhydroxide electrode material for hybrid supercapacitors

Author: François Weill, Jacob Olchowka, Liliane Guerlou-Demourgues, Ronan Invernizzi, Delphine Flahaut, Marie-Anne Dourges, Isabelle Baraille, Alexia Lemoine, 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), 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), Advanced Lithium Energy Storage Systems - ALISTORE-ERI (ALISTORE-ERI), Institut de Chimie du CNRS (INC)-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), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), The authors would like to deeply thank AID as well as Bordeaux INP for financial support (PhD funding and research fees). The authors thank also Région Nouvelle Aquitaine and the French National Research Agency (STORE-EX Labex Project ANR-10-LABX-76-01) for financial support and fruitful discussions. Many thanks to Catherine Denage, Emmanuel Petit, Eric Lebraud, Jérôme Kalisky and Stéphane Relexans for their help in the characterization of the samples for MEB, ICP, XRD, TGA and conductivity analyses respectively., ANR-10-LABX-0076,STORE-EX,Laboratory of excellency for electrochemical energy storage(2010), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Technology, Materials science, chemistry.chemical_element, Ionic bonding, 02 engineering and technology, 010402 general chemistry, Electrochemistry, 7. Clean energy, 01 natural sciences, Article, ionic liquids, chemistry.chemical_compound, nanostructuration, Specific surface area, General Materials Science, Supercapacitor, Microscopy, QC120-168.85, supercapacitors, energy storage, Precipitation (chemistry), QH201-278.5, [CHIM.MATE]Chemical Sciences/Material chemistry, Engineering (General). Civil engineering (General), 021001 nanoscience & nanotechnology, TK1-9971, cobalt oxyhydroxide, 0104 chemical sciences, Descriptive and experimental mechanics, chemistry, Chemical engineering, Ionic liquid, Surface modification, nanomaterial, Electrical engineering. Electronics. Nuclear engineering, TA1-2040, 0210 nano-technology, surface modification, Cobalt
Abstract: International audience; Nanostructuration is one of the most promising strategies to develop performant electrode materials for energy storage devices, such as hybrid supercapacitors. In this work, we studied the influence of precipitation medium and the use of a series of 1-alkyl-3-methylimidazolium bromide ionic liquids for the nanostructuration of β(III) cobalt oxyhydroxides. Then, the effect of the nanostructuration and the impact of the different ionic liquids used during synthesis were investigated in terms of energy storage performances. First, we demonstrated that forward precipitation, in a cobalt-rich medium, leads to smaller particles with higher specific surface areas (SSA) and an enhanced mesoporosity. Introduction of ionic liquids (ILs) in the precipitation medium further strongly increased the specific surface area and the mesoporosity to achieve well-nanostructured materials with a very high SSA of 265 m2/g and porosity of 0.43 cm3/g. Additionally, we showed that ILs used as surfactant and template also functionalize the nanomaterial surface, leading to a beneficial synergy between the highly ionic conductive IL and the cobalt oxyhydroxide, which lowers the resistance charge transfer and improves the specific capacity. The nature of the ionic liquid had an important influence on the final electrochemical properties and the best performances were reached with the ionic liquid containing the longest alkyl chain.
Published: 2021

41. Pesticides expenditures by farming type and incidence of Parkinson disease in farmers: A French nationwide study

Author: Alexis Ebaz, Laëtitia Perrin, Sofiane Kab, Laura Chaperon, Johan Spinosi, Frédéric Moisan, Centre de recherche en épidémiologie et santé des populations (CESP), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Hôpital Paul Brousse-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Paris-Saclay, Santé publique France - French National Public Health Agency [Saint-Maurice, France], Cohortes épidémiologiques en population (CONSTANCES), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Paris-Saclay-Université de Paris (UP), Agence française pour la biodiversité, AFB, This project was funded by an unrestricted grant from the Plan Ecophyto II, Agence fran?aise pour la biodiversit?, Minist?re de l'environnement. The authors did not receive any additional funding from any institution, including personal relationships, interests, grants, employment, affiliations, patents, inventions, honoraria, consultancies, royalties, stock options/ownership, or expert testimony for the last 12 months., and This project was funded by an unrestricted grant from the Plan Ecophyto II, Agence française pour la biodiversité, Ministère de l'environnement . The authors did not receive any additional funding from any institution, including personal relationships, interests, grants, employment, affiliations, patents, inventions, honoraria, consultancies, royalties, stock options/ownership, or expert testimony for the last 12 months.
Subjects: Male, Farms, Parkinson's disease, [SDV]Life Sciences [q-bio], Pesticides expenditures, Disease, 010501 environmental sciences, 01 natural sciences, Biochemistry, Agricultural census, 03 medical and health sciences, symbols.namesake, 0302 clinical medicine, Environmental health, Occupational Exposure, Medicine, Humans, 030212 general & internal medicine, Poisson regression, Pesticides, 0105 earth and related environmental sciences, General Environmental Science, Exposure assessment, 2. Zero hunger, Farmers, business.industry, Incidence (epidemiology), Incidence, Ecological study, Agriculture, Parkinson Disease, Pesticide, 3. Good health, symbols, Health Expenditures, business, Type of farming
Abstract: International audience; Background: Professional pesticides exposure is associated with PD risk, but it remains unclear whether specific products, which strongly depend on farming type, are specifically involved. We performed a nationwide ecological study to examine the association of pesticides expenditures for the main farming types with PD incidence in French farmers. Methods: We used the French National Health Insurance database to identify incident PD cases in farmers (2010–2015). We combined data on pesticides expenditures with the agricultural census to compute pesticides expenditures for nine farming types in 2000 in 3571 French cantons. The association between pesticides expenditures and PD age/sex standardized incidence was examined using multilevel Poisson regression, adjusted for smoking, neurologists’ density, and deprivation index. Results: 10,282 incident PD cases were identified. Cantons with the highest pesticides expenditures for vineyards without designation of origin were characterized by 16% (95% CI = 6–28%) higher PD incidence (p-trend corrected for multiple testing = 0.006). This association was significant in men and older farmers. There was no association with pesticides expenditures for other farming types, including vineyards with designation of origin. Conclusions: PD incidence increased significantly with pesticides expenditures in vineyards without designation of origin characterized by high fungicide use. This result suggests that agricultural practices and pesticides used in these vineyards may play a role in PD and that farmers in these farms should benefit from preventive measures aiming at reducing exposure. Our study highlights the importance of considering farming type in studies on pesticides and PD and the usefulness of pesticides expenditures for exposure assessment.
Published: 2021

42. Gridded fossil CO2 emissions and related O2 combustion consistent with national inventories 1959–2018

Author: Philippe Ciais, Greet Janssens-Maenhout, Glen P. Peters, Prabir K. Patra, Matthew W. Jones, Frédéric Chevallier, Corinne Le Quéré, Robbie M. Andrew, Anthony J. De-Gol, University of East Anglia [Norwich] (UEA), Center for International Climate and Environmental Research [Oslo] (CICERO), University of Oslo (UiO), European Commission - Joint Research Centre [Ispra] (JRC), Laboratoire des Sciences du Climat et de l'Environnement [Gif-sur-Yvette] (LSCE), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Institut Pierre-Simon-Laplace (IPSL (FR_636)), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-École polytechnique (X)-Centre National d'Études Spatiales [Toulouse] (CNES)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Japan Agency for Marine-Earth Science and Technology (JAMSTEC), Division of Chemistry, CHE, Horizon 2020 Framework Programme, H2020: 776186, 776810, 821003, Royal Society: RP\ R1\191063, The authors thank Pierre Friedlingstein, Christian Rödenbeck, Wouter Peters and Ingrid Luijkx for their helpful feedback on the manuscript. We further thank Wouter Peters for his part in securing the funding of the H2020 ‘CHE’ project. We thank Penelope Pickers, Julia Steinbach and Nicolas Mayot for their insights regarding the available data on oxidative ratios. This work was principally funded by European Commission Horizon 2020 (H2020) ‘CHE’ project (grant no. 776186). M.W.J., F.C., P.C. and G.J.-M. were funded by the H2020 ‘CHE’ project (grant no. 776186). G.P.P., R.M.A, P.C., F.C., G.J.-M. and M.W.J. were funded by the H2020 ‘VERIFY’ project (no. 776810). A.J.D.-G., R.M.A. and G.P.P. were funded by the H2020 ‘4 C’ project (no. 821003). G.P.P. was funded by the H2020 PARIS REINFORCE project (no. 820846). C.L.Q. was funded by the Royal Society (no. RP\ R1\191063). We thank the UEA HPC team for support., M.W.J., C.L.Q., G.P.P. and R.M.A. designed the methodology with input from G.J.-M. G.J.-M. provided supplemental layers of the EDGAR dataset. R.M.A. and G.P.P. provided the GCB-NAE dataset. C.L.Q. and M.W.J. implemented the HCDD correction. M.W.J. completed all other formal analyses, technical validation and data visualisation and wrote the original draft of the article. M.W.J. wrote the code. A.J.D.-G. optimised the code. This work was made possible by prior funding from the Global Carbon Project. All authors contributed to review and editing of the article., and Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)
Subjects: Statistics and Probability, Data Descriptor, Atmospheric chemistry, 010504 meteorology & atmospheric sciences, Science, [SDV]Life Sciences [q-bio], chemistry.chemical_element, Library and Information Sciences, CO2 emissions, 010502 geochemistry & geophysics, Atmospheric sciences, Combustion, 01 natural sciences, 7. Clean energy, Education, chemistry.chemical_compound, Natural gas, Co2 concentration, Coal, Climate and Earth system modelling, 0105 earth and related environmental sciences, business.industry, Fossil fuel, Carbon cycle, Computer Science Applications, National Inventories, chemistry, Carbon project, 13. Climate action, Carbon dioxide, Environmental science, Statistics, Probability and Uncertainty, business, Carbon, Information Systems
Abstract: Quantification of CO2 fluxes at the Earth’s surface is required to evaluate the causes and drivers of observed increases in atmospheric CO2 concentrations. Atmospheric inversion models disaggregate observed variations in atmospheric CO2 concentration to variability in CO2 emissions and sinks. They require prior constraints fossil CO2 emissions. Here we describe GCP-GridFED (version 2019.1), a gridded fossil emissions dataset that is consistent with the national CO2 emissions reported by the Global Carbon Project (GCP). GCP-GridFEDv2019.1 provides monthly fossil CO2 emissions estimates for the period 1959–2018 at a spatial resolution of 0.1°. Estimates are provided separately for oil, coal and natural gas, for mixed international bunker fuels, and for the calcination of limestone during cement production. GCP-GridFED also includes gridded estimates of O2 uptake based on oxidative ratios for oil, coal and natural gas. It will be updated annually and made available for atmospheric inversions contributing to GCP global carbon budget assessments, thus aligning the prior constraints on top-down fossil CO2 emissions with the bottom-up estimates compiled by the GCP., Measurement(s) carbon dioxide emission • oxygen combustion Technology Type(s) digital curation • computational modeling technique Factor Type(s) annual and monthly fossil carbon dioxide emissions estimates • annual and monthly oxygen combustion estimates Sample Characteristic - Environment climate system Sample Characteristic - Location global Machine-accessible metadata file describing the reported data: 10.6084/m9.figshare.13333643
Published: 2021

43. Projecting Exposure to Extreme Climate Impact Events Across Six Event Categories and Three Spatial Scales

Author: Yoshihide Wada, Fang Zhao, Yasushi Honda, Thomas Hickler, Jörg Steinkamp, Nikolay Khabarov, Tobias Stacke, Lila Warszawski, David N. Bresch, Tobias Geiger, Wim Thiery, Kazuya Nishina, Jonas Jägermeyr, Sebastian Ostberg, Hannes Müller Schmied, Manolis Grillakis, Iliusi Vega, Kerry Emanuel, Akihiko Ito, Philippe Ciais, Sonia I. Seneviratne, Stefan Lange, Naota Hanasaki, Jinfeng Chang, Jan Volkholz, Aristeidis Koutroulis, Christian Folberth, Matthias Büchner, Christopher P. O. Reyer, Minoru Yoshikawa, Sven Willner, Christoph Müller, Katja Frieler, Hong Yang, Jacob Schewe, Simon N. Gosling, Alexandra Henrot, Dieter Gerten, Marie Dury, Veronika Huber, Chao Yue, Wenfeng Liu, Ted Veldkamp, Hydrology and Hydraulic Engineering, Laboratoire des Sciences du Climat et de l'Environnement [Gif-sur-Yvette] (LSCE), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Environmental Restoration and Conservation Agency, ERCA 821010 641816 SAW‐2016‐PIK‐1, 603864 Bundesministerium für Bildung und Forschung, BMBF: 01LA1829A, 01LS1201A2, 01LS1711F Ministry of Economy, Trade and Industry, METI Eidgenössische Technische Hochschule Zürich, ETH: Fel‐45 15‐1 Ministerio de Economía y Competitividad, MINECO: PCIN‐2017‐046, We thank the editor and two anonymous reviewers for constructive feedback. We thank three other anonymous reviewers for helpful comments on an earlier version of this paper submitted to a different journal. This research was supported in part by the German Federal Ministry of Education and Research (BMBF, grant numbers 01LS1201A2, 01LS1711F, and 01LA1829A) and the EU FP7 HELIX project (grant number 603864). Some authors acknowledge support from the Leibniz Competition projects SAW‐2013‐PIK‐5 (EXPACT) and SAW‐2016‐PIK‐1 (ENGAGE). Some authors acknowledge funding from the European Union's Horizon 2020 research and innovation program under grant agreement number 821010 (CASCADES). N. H., K. N., and Y. H. acknowledge support from the ERTD Funds 2RF‐1802 and S‐14 of the Environmental Restoration and Conservation Agency of Japan. W. T. was supported by an ETH Zurich postdoctoral fellowship (Fel‐45 15‐1). V. H. was supported by the Spanish Ministry of Economy, Industry and Competitiveness (MINECO, grant number PCIN‐2017‐046). P. C. acknowledges support from the CLAND ANR Convergence Institute. S. L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under grant agreement number 641816 (CRESCENDO). Open access funding enabled and organized by Projekt DEAL., Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ), and Water and Climate Risk
Subjects: 010504 meteorology & atmospheric sciences, HYDROLOGICAL MODELS, Population, 0207 environmental engineering, FLOOD RISK, Environmental Sciences & Ecology, 02 engineering and technology, Subtropics, [SDU.STU.ME]Sciences of the Universe [physics]/Earth Sciences/Meteorology, 01 natural sciences, Population density, Latitude, Climate-related extreme events, Earth and Planetary Sciences (miscellaneous), SDG 13 - Climate Action, Meteorology & Atmospheric Sciences, BURNED AREA, GLOBAL CROP PRODUCTION, Geosciences, Multidisciplinary, 020701 environmental engineering, education, 0105 earth and related environmental sciences, General Environmental Science, Event (probability theory), education.field_of_study, Science & Technology, Land use, Global warming, VEGETATION MODEL ORCHIDEE, Geology, 15. Life on land, TERRESTRIAL CARBON BALANCE, 13. Climate action, Climatology, Physical Sciences, TROPICAL CYCLONE ACTIVITY, HURRICANE INTENSITY, Environmental science, Tropical cyclone, INTERANNUAL VARIABILITY, Life Sciences & Biomedicine, Environmental Sciences, INCORPORATING SPITFIRE
Abstract: Summarization: The extent and impact of climate‐related extreme events depend on the underlying meteorological, hydrological, or climatological drivers as well as on human factors such as land use or population density. Here we quantify the pure effect of historical and future climate change on the exposure of land and population to extreme climate impact events using an unprecedentedly large ensemble of harmonized climate impact simulations from the Inter‐Sectoral Impact Model Intercomparison Project phase 2b. Our results indicate that global warming has already more than doubled both the global land area and the global population annually exposed to all six categories of extreme events considered: river floods, tropical cyclones, crop failure, wildfires, droughts, and heatwaves. Global warming of 2°C relative to preindustrial conditions is projected to lead to a more than fivefold increase in cross‐category aggregate exposure globally. Changes in exposure are unevenly distributed, with tropical and subtropical regions facing larger increases than higher latitudes. The largest increases in overall exposure are projected for the population of South Asia. Presented on: Earth's Future
Published: 2020

44. Analyzing in silico the relationship between the activation of the edema factor and its interaction with calmodulin

Author: Irène Pitard, Damien Monet, Pierre L. Goossens, Arnaud Blondel, Thérèse E. Malliavin, Bioinformatique structurale, Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS), Centre de Bioinformatique, Biostatistique et Biologie Intégrative (C3BI), Ecole Doctorale Complexité du Vivant (ED515), Sorbonne Université (SU), Yersinia, Institut Pasteur [Paris], Irene Pitard thanks DGA for PhD nancial support (grant 2017033). Authors thank CNRSand Institut Pasteur for recurrent funding. This work was also supported by the INCEPTIONproject ANR-16-CONV-0005, ANR-16-CONV-0005,INCEPTION,Institut Convergences pour l’étude de l’Emergence des Pathologies au Travers des Individus et des populatiONs(2016), Bioinformatique structurale - Structural Bioinformatics, IP thanks DGA for Ph.D. financial support (grant 2017033) and Ecole Doctorale ED515 complexité du vivant. Authors thank CNRS and Institut Pasteur for recurrent funding. This work was also supported by the INCEPTION project ANR-16-CONV-0005., ANR-16-CONV-0005,INCEPTION,Institut Convergences pour l'étude de l'Emergence des Pathologies au Travers des Individus et des populatiONs(2016), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS), and Institut Pasteur [Paris] (IP)
Subjects: 0301 basic medicine, Calmodulin, In silico, Allosteric regulation, cavity detection, 01 natural sciences, Biochemistry, Genetics and Molecular Biology (miscellaneous), Biochemistry, virulence factor, Protein–protein interaction, protein-protein interaction, 03 medical and health sciences, Molecular dynamics, 0103 physical sciences, Molecular Biology, lcsh:QH301-705.5, ComputingMilieux_MISCELLANEOUS, allostery, 010304 chemical physics, biology, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], Chemistry, Hydrogen bond, Ligand (biochemistry), [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biomolecules [q-bio.BM], 030104 developmental biology, lcsh:Biology (General), Bacillus anthracis, Helix, Biophysics, biology.protein, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract: Molecular dynamics (MD) simulations have been recorded on the complex between the edema factor (EF) of Bacilllus anthracis and calmodulin (CaM), starting from a structure with the orthosteric inhibitor adefovir bound in the EF catalytic site. The starting structure has been destabilized by alternately suppressing different co-factors, such as adefovir ligand or ions, revealing several long-distance correlations between the conformation of CaM, the geometry of the CaM/EF interface, the enzymatic site and the overall organization of the complex. An allosteric communication between CaM/EF interface and the EF catalytic site, highlighted by these correlations, was confirmed by several bioinformatics approaches from the literature. A network of hydrogen bonds and stacking interactions extending from the helix V of of CaM, and the residues of the switches A, B and C, and connecting to catalytic site residues, is a plausible candidate for the mediation of allosteric communication. The greatest variability in volume between the different MD conditions was also found for cavities present at the EF/CaM interface and in the EF catalytic site. The similarity between the predictions from literature and the volume variability might introduce the volume variability as new descriptor of allostery.
Published: 2020

45. Insight into the Electrooxidation Mechanism of Ethylene Glycol on Pd‐Based Nanocatalysts: In Situ FTIRS and LC‐MS Analysis

Author: Teko W. Napporn, Karine Servat, Rodrigo Garcia Da Silva, Cláudia Morais, Adalgisa Rodrigues de Andrade, Kouakou Boniface Kokoh, Institut de Chimie des Milieux et Matériaux de Poitiers (IC2MP), Université de Poitiers-Institut national des sciences de l'Univers (INSU - CNRS)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Universidade de São Paulo, Faculdade de Filosofia Ciências e Letras de Ribeirão Preto, Departamento de Química, Ribeirão Preto, This work was mainly supported by FAPESP (grants number 2013/25.632-0, and 2012/07654-3 and 2013-25421-9). The collaborative program CAPES/COFECUB under grant n° 914/18 are gratefully acknowledged. The authors also thanks Capes under the contract number 001. The authors also acknowledge the financial support from the European Union (ERDF) and 'Région Nouvelle-Aquitaine'
Subjects: In situ, energy conversion, chemistry.chemical_element, 02 engineering and technology, fuel cells, ESPECTROMETRIA DE MASSAS, 010402 general chemistry, 021001 nanoscience & nanotechnology, Heterogeneous catalysis, 01 natural sciences, Catalysis, Nanomaterial-based catalyst, 0104 chemical sciences, chemistry.chemical_compound, heterogeneous catalysis, chemistry, Chemical engineering, electrochemistry, Liquid chromatography–mass spectrometry, Fuel cells, [CHIM]Chemical Sciences, 0210 nano-technology, Ethylene glycol, Palladium
Abstract: International audience; Ethylene Glycol oxidation reaction on nickel and ruthenium modified palladium nanocatalysts was investigated with electrochemical, spectroelectrochemical, and chromatographic methods. These carbon-supported materials prepared by a revisited polyol approach, exhibited high activity towards the ethylene glycol electrooxidation in alkaline medium. Electrolysis coupled with High Performance Liquid Chromatography/Mass Spectrometry (HPLC-MS) and in situ Fourier Transform Infrared Spectroscopy (FTIRS) measurements allowed to determine the different compounds electrogenerated in the oxidative conversion of this two-carbon molecule. High value-added products such as oxalate, glyoxylate, and glycolate were identified in all the electrolytic solutions, while glyoxylate was selectively formed at the Ru45@Pd55/C electrode surface. In situ FTIRS results also showed a decrease of the pH value in the thin layer near the electrode as a consequence of OH- consumption during the spectroelectrochemical experiments.
Published: 2020

46. Unveiling the complexity of salt(s) in water under transcritical conditions

Author: Arnaud Erriguible, Cyril Aymonier, Thomas Voisin, Elen Duverger-Nédellec, 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), Agence de l'Environnement et de la Maîtrise de l'Energie (ADEME), Institut de Mécanique et d'Ingénierie (I2M), Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Arts et Métiers Sciences et Technologies, HESAM Université (HESAM)-HESAM Université (HESAM), and The authors gratefully acknowledge financial support from the French Research National Agency (ANR-19-MIN2-0004) for the project SupplyPBM in the frame of the call ERA-MIN 2. The authors also acknowledge the European Commission.
Subjects: Chemistry, business.industry, General Chemical Engineering, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 6. Clean water, Supercritical fluid, 0104 chemical sciences, Industrial wastewater treatment, Critical point (thermodynamics), Physical and Theoretical Chemistry, 0210 nano-technology, Process engineering, business, Material synthesis
Abstract: International audience; Processes using water at sub- and supercritical conditions (T > 300 °C) are used in industrial wastewater treatment, chemical recycling of wastes, biomass conversion and also in material synthesis, because of their rapidity and high efficiency. However, the salts injected or generated during the processes can lead to complex multiphasic water-salts systems with a behavior far to be understood in all the cases. Drastic changes of physics and chemistry of the systems are expected from water intrinsic properties; however, the formation of new phases, sometimes unexpected, near the critical point of water (374 °C; 22.1 MPa) also has a direct effect on the properties of the system. It is thus important to be conscious of the existence of these new phases to have the best control as possible on the physico-chemistry occurring inside the reactor. The aim of this review paper is to give an overview of these poorly-known new phases and to show that they are more encountered in SCW than it is thought.
Published: 2020

47. Reflow Soldering-Resistant Solid-State 3D Micro-Supercapacitors Based on Ionogel Electrolyte for Powering the Internet of Things

Author: Bouchra Asbani, Laurence Athouël, J. Le Bideau, Camille Douard, Kevin Robert, Thierry Brousse, Christophe Lethien, B. Bounor, Institut des Matériaux Jean Rouxel (IMN), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Polytechnique de l'Université de Nantes (EPUN), Université de Nantes (UN)-Université de Nantes (UN), 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), 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), Circuits Systèmes Applications des Micro-ondes - IEMN (CSAM - 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)-Institut TELECOM/TELECOM Lille1, Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT), Renatech Network, Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Nantes université - UFR des Sciences et des Techniques (Nantes univ - UFR ST), Nantes Université - pôle Sciences et technologie, Nantes Université (Nantes Univ)-Nantes Université (Nantes Univ)-Nantes Université - pôle Sciences et technologie, Nantes Université (Nantes Univ)-Nantes Université (Nantes Univ)-Nantes Université - Ecole Polytechnique de l'Université de Nantes (Nantes Univ - EPUN), Nantes Université (Nantes Univ)-Nantes Université (Nantes Univ), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), Circuits Systèmes Applications des Micro-ondes - IEMN (CSAM - IEMN ), Université catholique de Lille (UCL)-Université catholique de Lille (UCL)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université Polytechnique Hauts-de-France (UPHF)-JUNIA (JUNIA), This research benefitted from the financial support of the ANR within the DENSSCAPIO project (ANR-17-CE05-0015). The authors would also like to thank the ANR STORE-EX and the RS2E for their financial support. The RENATECH network receives our utmost gratitude. The authors declare no conflict of interest., and ANR-17-CE05-0015,DENSSCAPIO,Supercondensateurs nanostructurés tout-solides pour stockage d'énergie plus dense et plus sûr(2017)
Subjects: Supercapacitor, Materials science, Renewable Energy, Sustainability and the Environment, business.industry, Solid-state, Nanotechnology, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 7. Clean energy, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Reflow soldering, Materials Chemistry, Electrochemistry, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology, Internet of Things, business, ComputingMilieux_MISCELLANEOUS
Abstract: The fabrication of all solid-state 3D micro-supercapacitor is challenging for powering connected and miniaturized emerging electronics devices in the frame of the future Internet of Things paradigm. Here we highlight the design of a specific solid electrolyte based on ethylmethylimidazolium bis(trifluoromethanesulfonate)imide confined within polyvinylidenefluoride which enables to meet the requirements of safety, easy packaging, and leakage free 3D micro-supercapacitors. This ionogel-based microdevice (2 mm × 2 mm footprint area) exhibits good cycling stability over 30 000 cycles with an areal energy density of 4.4 μWh.cm−2 and a power density of 3.8 mW.cm−2. It can also sustain the high temperature reflow soldering process (∼250 °C–5 min) without damage, which is performed to directly bond surface mounted miniaturized devices onto printed circuit boards. This strategy not only provides a reference for the design of high-performance 3D interdigitated micro-supercapacitors, but also paves the way to their further implementation in miniaturized electronic chips for Internet of Things applications.
Published: 2020

48. A two-dimensional method for a family of dispersive shallow water model

Author: Jacques Sainte-Marie, Nora Aïssiouene, Edwige Godlewski, Marie-Odile Bristeau, Anne Mangeney, Carlos Parés Madroñal, Numerical Analysis, Geophysics and Ecology (ANGE), Inria de Paris, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire Jacques-Louis Lions (LJLL (UMR_7598)), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institut de Physique du Globe de Paris (IPGP (UMR_7154)), Institut national des sciences de l'Univers (INSU - CNRS)-Université de La Réunion (UR)-Institut de Physique du Globe de Paris (IPG Paris)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Universidad de Málaga [Málaga] = University of Málaga [Málaga], The authors acknowledge the Inria Project Lab Algae in Silicio for its financial support. The first author received a partial grant from the Fondation Ledoux. This research is also supported by the ANR MIMOSA project and the ERC SLIDEQUAKES ERC-CG-2013-PE10-617472. Carlos Parés Madroñal has been partially supported by the Spanish Government and FEDER through the Research project RTI2018-096064-B-C21., ANR-14-CE01-0012,MIMOSA,Analyse, modélisation et utilisation du bruit sismique large bande: des microséismes aux oscillations libres de la terre(2014), Université Paris Diderot - Paris 7 (UPD7)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Jacques-Louis Lions (LJLL (UMR_7598)), Université Paris Diderot - Paris 7 (UPD7)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique du Globe de Paris (IPGP), Institut national des sciences de l'Univers (INSU - CNRS)-IPG PARIS-Université Paris Diderot - Paris 7 (UPD7)-Université de La Réunion (UR)-Centre National de la Recherche Scientifique (CNRS), Universidad de Málaga [Málaga], The authors acknowledge the Inria Project Lab Algae in Silicio for its financial support. The first author received a partial grant from the Fondation Ledoux. This research is also supported by the ANR MIMOSA project and the ERC SLIDEQUAKES ERC-CG-2013-PE10-617472, Centre National de la Recherche Scientifique (CNRS)-Université de La Réunion (UR)-Université Paris Diderot - Paris 7 (UPD7)-IPG PARIS-Institut national des sciences de l'Univers (INSU - CNRS), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), and 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)
Subjects: Statistics and Probability, Combined finite volume / finite element technique, [SDU.STU.GP]Sciences of the Universe [physics]/Earth Sciences/Geophysics [physics.geo-ph], 010103 numerical & computational mathematics, 01 natural sciences, Dispersive effects, Applied mathematics, [MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP], Boundary value problem, Prediction-correction scheme, Combined finite vol- ume / finite element technique, 0101 mathematics, Physics::Atmospheric and Oceanic Physics, Mathematics, Numerical Analysis, Finite volume method, Numerical analysis, Shallow water flows, Euler system, Tsunami propagation, Finite element method, Dispersive wave propagation, 010101 applied mathematics, Computational Mathematics, Waves and shallow water, Modeling and Simulation, Free surface, Compressibility, Math. classification.65M12, 74S10, 76M12, 35L65, 35Q30, 35Q35, 76D05, [MATH.MATH-NA]Mathematics [math]/Numerical Analysis [math.NA]
Abstract: International audience; We propose a numerical method for a family of two-dimensional dispersive shallow water systems with topography. The considered models consist in shallow water approximations without the hydrostatic assumption-of the incompressible Euler system with free surface. Hence, the studied models appear as extensions of the classical shallow water system enriched with dispersive terms. The model formulation motivates to use a prediction-correction scheme for its numerical approximation. The prediction part leads to solving a classical shallow water system with topography while the correction part leads to solving an elliptic-type problem. The numerical approximation of the considered dispersive models in the two-dimensional case over unstructured meshes is described, it requires to combine finite volume and finite element techniques. A special emphasis is given to the formulation and the numerical resolution of the correction step (variational formulation, inf-sup condition, boundary conditions,.. .). The numerical procedure is confronted with analytical and experimental test cases. Finally, an application to a real tsunami case is given.
Published: 2020

49. Continuous supercritical solvothermal preparation of nanostructured ceria-zirconia as supports for dry methane reforming catalysts

Author: Brigitte Botello Frias, Vladislav A. Sadykov, Ekaterina Smal, Gilles Philippot, Cyril Aymonier, Sébastien Thomas, Piotr Legutko, Anne-Cécile Roger, Aimery Auxéméry, Michail Simonov, Ksenia Parkhomenko, Katarzyna Dziadek, Andrzej Adamski, Toulin, Stéphane, 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), Institut de chimie et procédés pour l'énergie, l'environnement et la santé (ICPEES), Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences (SB RAS), Faculty of Chemistry, Uniwersytet Jagielloński w Krakowie = Jagiellonian University (UJ), The authors acknowledge the European ERANet RUS Plus program for financial support in the frames of the project 'NiCe - Design of Ni/ceria-zirconia nanomaterials by continuous synthesis in supercritical medium: tuning catalytic properties'. This work was performed as a part of the large international collaboration GDRI 'Catalytic valorization of biomass' supported by CNRS in France and RFBR in Russia. The Polish authors thank for the financial support the National Centre for Research and Development in the framework of NiCe ERANet RUS Plus - S&T project (5/RUSPLUS – S&T/2016). Katarzyna Dziadek acknowledges the Erasmus + Program for the financial support. Aimery Auxemery acknowledges the Innovation Fund Denmark in the frames of the GCAM project for the financial support. The authors from ICMCB acknowledge CNRS, the University of Bordeaux and Bordeaux INP and also the 'Région Nouvelle-Aquitaine' for their financial support. The authors thank Dr Thierry Dintzer for fruitful discussion on the SEM results., Université de Strasbourg (UNISTRA)-Matériaux et nanosciences d'Alsace (FMNGE), and Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-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)
Subjects: Materials science, Coprecipitation, General Chemical Engineering, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Mixed oxides, Catalysis, Nickel, Physical and Theoretical Chemistry, [CHIM.MATE] Chemical Sciences/Material chemistry, Dry reforming of methane, Carbon dioxide reforming, Methane reformer, Carbon dioxide valorization, [CHIM.MATE]Chemical Sciences/Material chemistry, Coke, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Supercritical fluid, Nanomaterial-based catalyst, 0104 chemical sciences, Chemical engineering, Mixed oxide, 0210 nano-technology, Flow synthesis, Supercritical solvothermal synthesis, Nanocatalysts, Ceria-Zirconia
Abstract: International audience; The nanostructured CexZr1-xO2 systems (0 ≤ x ≤ 0.75) were prepared combining alkoxide and nitrate precursors in an ethanol/water mixture by the continuous supercritical solvothermal sol-gel like synthesis. They were subsequently used as supports for nickel impregnation (10 wt.%) to obtain catalysts for dry reforming of methane (DRM) reaction. A reference CexZr1-xO2 (x = 0.50) system prepared via conventional coprecipitation method was used as a support for nickel impregnation in the comparative study of the nanostructured materials’ catalytic potential. The morphological and structural properties of the prepared nanostructured supports and Ni-containing catalysts were investigated by numerous techniques as XRD, Raman spectroscopy, SEM, TEM, EDS, chemisorption and others. The conditions of DRM reaction were chosen in order to compare the activity, the stability as well as the selectivity of coke formation in the presence of the prepared catalytic materials. It was found that the industrial catalyst leads to heavy coking in the chosen conditions with a rapid loss of activity. While the nanostructured CexZr1-xO2 (0 ≤ x ≤ 0.75) materials are found to be promising supports for Ni dispersion and coke control in DRM. In this study the nanostructured Ce0.50Zr0.50O2 material impregnated with nickel shown the highest TOF and the smallest selectivity of coke formation in DRM among other nanostructured materials. The continuous supercritical solvothermal method allows to prepare nanostructured mixed oxide materials that could be promising supports for different active metals dispersion and for coke control in the reactions where coking may be abundant.
Published: 2020

50. The effect of the sodium content on the structure and the optical properties of thermally poled sodium and niobium borophosphate glasses

Author: Lara Karam, Thierry Cardinal, Vincent Rodriguez, Kathleen Richardson, Frédéric Adamietz, Flavie Bondu, Evelyne Fargin, Antoine Lepicard, Marc Dussauze, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut 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), Center for Research and Education in Optics and Lasers (CREOL), University of Central Florida [Orlando] (UCF)-School of Optics, The authors gratefully acknowledge the financial support of IdEx Bordeaux (Cluster of Excellence LAPHIA and the allocated grant referred to as ANR-10-IDEX-03-03), the IdEx Bordeaux Visiting Scholar program, and the CNRS project EMERGENCE @INC2019. This project has received funding from the European Union’s Horizon 2020 research program under the Marie Skłodowska-Curie Grant Agreement No. 823941 (FUNGLASS). This work was partially supported by the French RENATECH network. The authors would like to thank Mikhail Klimov at the Material Characterization Facility (MCF) at UCF for conducting the SIMS measurements as well as Michel Lahaye at the Placamat Facilities at the University of Bordeaux for the EDS measurements. The authors also want to acknowledge the LAAS-CNRS Laboratory in Toulouse for the fabrication of the electrodes., ANR-10-IDEX-0003,IDEX BORDEAUX,Initiative d'excellence de l'Université de Bordeaux(2010), European Project: 664440,H2020,H2020-WIDESPREAD-2014-1,FunGLASS(2015), and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: 010302 applied physics, Materials science, Sodium, Poling, Niobium, Analytical chemistry, General Physics and Astronomy, chemistry.chemical_element, Second-harmonic generation, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Alkali metal, 01 natural sciences, symbols.namesake, chemistry, 0103 physical sciences, Microscopy, symbols, 0210 nano-technology, Raman spectroscopy, Refractive index
Abstract: Six niobium rich glasses presenting different sodium contents were synthetized. On the basis of complementary infrared and Raman analysis, the influence of the sodium content and its role on the structure of the glasses prior to and following poling was examined. Correlative second harmonic generation (SHG)/Raman microscopy on the poled glasses cross section has shown a co-localization of the SHG signal and the structural variations. It also evidenced similar structural rearrangements whether sodium is removed through poling (230–300 °C) or through the alkali content defined by the starting glass compositions (melted at 1300–1500 °C). The effect of the sodium content on the optical properties, prior to and after thermal poling, is also discussed. It was found that refractive index variations induced by poling (ranging between 10−3 and 3 × 10−2) are mainly the result of a density decrease in the poled region rather than compositional and structural changes. The electro-optic origin of the poling-induced second order nonlinear response is confirmed by the Maker Fringe SHG analysis, and the evolution of χ(2) (2–2.5 pm/V) with the sodium content is discussed based on a selection of parameters influencing either the third order susceptibility [χ(3)] or the internal electric field strength of the poled layer.
Published: 2020

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