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19 results on '"Depraetere, Stefaan"'

2. The multi-actor PPILOW European project: a participative approach to co-build innovations for welfare improvement in organic pig and poultry farms

Author

Micheloni, Cristina, Jamart, An, Re, Martina, van Vooren, Laura, Niemi, Jarkko, Tuyttens, Frank A.M., Rodenburg, Tb (bas), Roinsard, Antoine, Steenfeldt, Sanna, Thobe, Petra, Carelli, Riccardo, Sciarretta, Marlene, Bonnefous, Claire, Bodin, Pauline, Rosati, Andrea, van den Brand, Henry, Rocchi, Lucia, Reverchon, Maxime, Decruyenaere, Virginie, Wavreille, José, Grete, Brunsgaard, Depraetere, Stefaan, Grenier, Katia, Vanggaard, Jan, Ponzio, Raffaella, Guesdon, Vanessa, Leruste, Hélène, Walley, Keith, Cozma, Vasile, Le Bihan-Duval, Elisabeth, Engberg, Ricarda M., Réhault-Godbert, Sophie, Baldinger, Lisa, Thys, Mirjan, Prunier, Armelle, Merlot, Elodie, Tallet, Céline, Montagne, Lucile, Canario, Laurianne, Delanoue, Elsa, Courboulay, Valérie, Hercule, Jonathan, Leterrier, Christine, Latchoumia, Joselle, Laura, Warin, Collin, Anne, Associazione Italiana per l'Agricoltura Biologica (AIAB), BioForum Vlaanderen, Scuela Santa Anna (SSSA), Scuola Universitaria Superiore Sant'Anna [Pisa] (SSSUP), Natural Resources Institute Finland (LUKE), Research Institute for Agricultural, Fisheries and Food (ILVO), Utrecht University [Utrecht], Institut Technique de l'Agriculture Biologique (ITAB), Aarhus University [Aarhus], Thuenen Institute of Farm Economics, European Association for Animal Production (EAAP), Biologie des Oiseaux et Aviculture (BOA), Université de Tours (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Les instituts techniques agricoles (Acta), Wageningen University and Research [Wageningen] (WUR), Università degli Studi di Perugia = University of Perugia (UNIPG), Syndicat des Sélectionneurs Avicoles et Aquacoles Français (SYSAAF), Centre Wallon de Recherches Agronomiques (CRA-W), Fermentation Experts, Circular Organics, Équipe Micro et nanosystèmes HyperFréquences Fluidiques (LAAS-MH2F), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), Vanggaard Staldmontage, Slow Food Biodiversity, JUNIA (JUNIA), Université catholique de Lille (UCL), Harper Adams University, USAMV Cluj-Napoca, Thuenen-Institute of Organic Farming, Physiologie, Environnement et Génétique pour l'Animal et les Systèmes d'Elevage [Rennes] (PEGASE), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-INSTITUT AGRO Agrocampus Ouest, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Génétique Physiologie et Systèmes d'Elevage (GenPhySE ), 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)-Université de Toulouse (UT)-École nationale supérieure agronomique de Toulouse (ENSAT), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut de l'élevage (IDELE), Institut du Porc (IFIP), ITAVI, Physiologie de la reproduction et des comportements [Nouzilly] (PRC), Institut Français du Cheval et de l'Equitation [Saumur] (IFCE)-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), INRAE Transfert, The PPILOW project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement N°816172., IFOAM, PPILOW, and European Project: 816172,H2020-EU.3.2.1.1. - Increasing production efficiency and coping with climate change, while ensuring sustainability and resilience ,PPILOW (2019)

Subjects
[SDV.SA]Life Sciences [q-bio]/Agricultural sciences, [SDV.GEN]Life Sciences [q-bio]/Genetics, [SCCO]Cognitive science, [SDV.BA]Life Sciences [q-bio]/Animal biology, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.BDLR]Life Sciences [q-bio]/Reproductive Biology, [SDV.AEN]Life Sciences [q-bio]/Food and Nutrition, [SDV.BDD]Life Sciences [q-bio]/Development Biology, ComputingMilieux_MISCELLANEOUS, [SHS]Humanities and Social Sciences
Abstract

International audience

Published
2021

16. The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: Methodology and applications.

Author

HENDRICKX, PIETER M. S., CORZANA, FRANCISCO, DEPRAETERE, STEFAAN, TOURWÉ, DIRK A., AUGUSTYNS, KOEN, and MARTINS, JOSÉ C.

Subjects
NUCLEOSIDES, NUCLEOTIDES, RIBOSE, CONFORMATIONAL analysis, NUCLEAR magnetic resonance, MOLECULAR models
Abstract

Because of its presence in many molecules of biological relevance, the conformational analysis of five-membered rings using 3JHH scalar coupling data from NMR is a topic of considerable interest. Typically, conformational analysis involves the use of a well-established mathematical procedure, originally developed by de Leeuw et al., that fits two rigid conformations to the available experimental data. This so-called pseudorotation analysis approach is not without problems, however, as chemically unrealistic conformations are sometimes generated from the data. Here, we present our investigations in the use of time-averaged restrained molecular dynamics simulations as a generic tool to determine the conformations that agree with experimental 3JHH scalar coupling data. For this purpose, a set of six ribose-based molecules has been used as model compounds. The influence of several modeling parameters is assessed and optimized values are proposed. The results obtained with the tar-MD approach are compared to those obtained from the two conformer fitting procedure. Interpretation of the latter is facilitated by the introduction of a fitting error analysis that allows mapping the solution space of the fitting procedure. The relative merits of both methods and the advantages that result from the use of a force field and a time-averaged restraint potential for the experimental data are discussed. When combined, both techniques allow an enhanced understanding of the molecules' conformational behavior and prevent possible overinterpretation. In view of the very reasonable computational burden of a tar-MD simulation for the systems investigated here, the approach should be generally applicable. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010 [ABSTRACT FROM AUTHOR]

Published
2010
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17. Synthesis of functionalized pyridazin-3(2H)-ones via nucleophilic substitution of hydrogen (SNH).

Author

Verhelst T, Verbeeck S, Ryabtsova O, Depraetere S, and Maes BU

Subjects
Combinatorial Chemistry Techniques, Hydrocarbons, Chlorinated chemistry, Molecular Structure, Pyridazines chemistry, Stereoisomerism, Hydrocarbons, Chlorinated chemical synthesis, Hydrogen chemistry, Pyridazines chemical synthesis
Abstract

Reaction of 2-benzyl-5-halopyridazin-3(2H)-ones (3) with Grignard reagents followed by quenching with electrophiles unexpectedly yielded 4,5-disubstituted pyridazin-3(2H)-ones instead of 5-substituted pyridazin-3(2H)-ones. These reactions represent the first examples of cine substitution in which the anionic σ(H)-adduct is quenched by electrophiles (other than a proton) before elimination takes place. Insight into the reaction mechanism led to the direct transformation of 2-benzylpyridazin-3(2H)-one (7) and 2-benzyl-6-chloropyridazin-3(2H)-one (9) into the corresponding C-4 alkyl and aryl derivatives (when Br(2) was used as the electrophile).

Published
2011
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18. The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: methodology and applications.

Author

Hendrickx PM, Corzana F, Depraetere S, Tourwé DA, Augustyns K, and Martins JC

Subjects
Magnetic Resonance Spectroscopy, Quantum Theory, Ribose analogs & derivatives, Solutions chemistry, Thermodynamics, Time Factors, Molecular Conformation, Molecular Dynamics Simulation, Nucleosides chemistry, Ribose chemistry
Abstract

Because of its presence in many molecules of biological relevance, the conformational analysis of five-membered rings using (3)J(HH) scalar coupling data from NMR is a topic of considerable interest. Typically, conformational analysis involves the use of a well-established mathematical procedure, originally developed by de Leeuw et al., that fits two rigid conformations to the available experimental data. This so-called pseudorotation analysis approach is not without problems, however, as chemically unrealistic conformations are sometimes generated from the data. Here, we present our investigations in the use of time-averaged restrained molecular dynamics simulations as a generic tool to determine the conformations that agree with experimental (3)J(HH) scalar coupling data. For this purpose, a set of six ribose-based molecules has been used as model compounds. The influence of several modeling parameters is assessed and optimized values are proposed. The results obtained with the tar-MD approach are compared to those obtained from the two conformer fitting procedure. Interpretation of the latter is facilitated by the introduction of a fitting error analysis that allows mapping the solution space of the fitting procedure. The relative merits of both methods and the advantages that result from the use of a force field and a time-averaged restraint potential for the experimental data are discussed. When combined, both techniques allow an enhanced understanding of the molecules' conformational behavior and prevent possible overinterpretation. In view of the very reasonable computational burden of a tar-MD simulation for the systems investigated here, the approach should be generally applicable., (Copyright 2009 Wiley Periodicals, Inc.)

Published
2010
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19. Anion recognition by alpha-arylazo-N-confused calix[4]pyrroles.

Author

Gu R, Depraetere S, Kotek J, Budka J, Wagner-Wysiecka E, Biernat JF, and Dehaen W

Abstract

The first example of substitution reaction in the free alpha-position of N-confused calix[4]pyrroles is reported: azo-coupling with various arenediazonium salts. The obtained azocompounds were used for studies of their anion-binding properties by UV-Vis spectroscopy.

Published
2005
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