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3. Numerical computation of critical properties and atomic basins from 3D grid electron densities

Author

Katan, C., Rabiller, P., Lecomte, C., Guezo, M., Oison, V., and Souhassou, M.

Subjects
Physics - Chemical Physics, Physics - Computational Physics
Abstract

InteGriTy is a software package that performs topological analysis following AIM approach on electron densities given on 3D grids. Use of tricubic interpolation is made to get the density, its gradient and hessian matrix at any required position. Critical points and integrated atomic properties have been derived from theoretical densities calculated for the compounds NaCl and TTF-2,5Cl2BQ, thus covering the different kinds of chemical bonds: ionic, covalent, hydrogen bonds and other intermolecular contacts., Comment: 25 pages, 9 figures

Published
2002

5. À propos d’un syndrome de Wells bulleux

Author

Derrida, L., primary, Lecomte, C., additional, Koubi, M., additional, Dehy, L., additional, Gomes de Pinho, Q., additional, Macagno, N., additional, Delaporte, E., additional, Rossi, P., additional, Benyamine, A., additional, and Granel, B., additional

Published
2022
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11. L’adaptation des systèmes de production agricole, animale et végétale, aux changements de contexte environnemental, agricole et social. Innovations Agronomiques 86, 419-437

Author

Ubertosi, M., Brunschwig, G., Castel, T., Chapuis, D., Goron, J.-P., Guinet, M., Jarousse, A., Larmure, A., Lecomte, C., Manteaux, J.-P., Mondière, A., Mosnier, C., Nicolardot, B., Petit, M.-S., Queyrel, W., Tanguy, C., Thiery, E., Vergote, M.-H., Veysset, P., Voisin, A.-S., and Laroche, C.

Published
2022
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13. Mise au point d’équations basées sur le Moyen Infra Rouge pour estimer la fromageabilité des laits de vache en France

Author

Laithier, Cécile, El Jabri, Mohammed, Wolf, V., Gaüzere, Y., Cuvillier, I., Buchin, F., Rolet-Répécaud, Odile, Beuvier, Eric, Trossat, P., Notz, Eric, Lecomte, C., Laurent, Claire, Gele, M., Rey-Cadilhac, Lucille, Gaudilliere, N., Grosperrin, Philippe, and ROSSI, Sabine

Subjects
[SDV] Life Sciences [q-bio]
Abstract

The cheese-making ability, defined as the ability of milk to be transformed into cheese, is one of the criteria for the success of the manufacturing process. It is directly linked to the quality of the products and its economic importance is major. Thanks to a first FROM'MIR project (2015-2018), MIR (medium infrared spectrometry) equations for estimating the cheese-making ability of milk, established in the context of the Franche-Comté IGP/PDO, were developed for the first time in France on the basis of 420 milk from Montbéliarde breed cows on 3 scales: individual milk (250), herd milk (100), and cheese factory tank milk (70). In order to consolidate and even improve the equations developed, other data were obtained in France through collaboration with the FROM'MIR consortium. The equations concerning the cheese yield criterion and the aptitude for enzymatic coagulation were developed on all the data (n=1332). The FROM'MIR equations were consolidated with the addition of these new data. The new equations developed by expanding the data set are thus valid regardless of the context, Franche Comté PDO/IGP or not. Moreover, the equations remain efficient whatever the breed, except for Jersiaise, Abondance and Tarentaise, because of low numbers and/or extreme milk characteristics. For these last 3 breeds, the results have to be deepened by considering to analyze other milks. These results suggest that the equations can be used for other breeds than Montbéliarde for genetic evaluation purposes. The operational valorisation of these new phenotypes resulting from performance control is currently under discussion. Montbéliarde breeders already benefit from genetic selection tools thanks to the implementation of a private genetic evaluation chain developed by the FROM'MIR consortium., La « fromageabilité » des laits destinés à la transformation fromagère, définie comme l’aptitude du lait à se transformer en fromage est un des critères de réussite des procédés de fabrication. Celle-ci est en lien direct avec la qualité des produits et son importance économique est majeure. Grâce à un premier projet FROM’MIR (2015-2018), des équations MIR (spectrométrie moyen infrarouge) d'estimation de la fromageabilité des laits, établies en contexte IGP/AOP franc-comtois, ont été mises au point pour la première fois en France sur la base de 420 laits issus d’élevages de vaches en race Montbéliarde des 3 échelles : laits individuels (250), laits de troupeaux (100), laits de cuve de fromagerie (70). Afin de consolider, voire d’améliorer les équations mises au point, d’autres données ont été acquises en France au travers de collaborations avec le consortium FROM’MIR. Les équations portant sur le critère de rendement fromager et sur l’aptitude à la coagulation enzymatique ont pu être développées sur l’ensemble des données (n=1332). Les équations FROM’MIR ont été consolidées avec l’apport de ces nouvelles données. Les nouvelles équations mises au point en élargissant le jeu de données sont ainsi valables quel que soit le contexte, IGP/AOP Franche Comté ou en dehors. Par ailleurs, les équations restent performantes quelle que soit la race, excepté pour la Jersiaise, Abondance et Tarentaise, en raison de faibles effectifs et/ou de laits à caractéristiques extrêmes. Pour ces 3 dernières races, les résultats méritent d’être approfondis en envisageant d’analyser d’autres laits. Les résultats obtenus laissent présager l’utilisation de ces équations pour d’autres races que la Montbéliarde à des fins d’évaluation génétique. La valorisation opérationnelle de ces nouveaux phénotypes issus du contrôle de performances est actuellement en discussion. Les éleveurs de race Montbéliarde bénéficient déjà d’outils pour la sélection génétique grâce à la mise en place d’une chaine d’évaluation génétique privative développée par le consortium FROM’MIR.

Published
2022

24. Effect of environmental variates on genotype x environment interaction of winter wheat: a comparison of biadditive factorial regression to AMMI. (Crop Ecology, Management & Quality)

Author

Brancourt-Hulmel, M. and Lecomte, C.

Subjects
Plant genetics -- Research -- Genetic aspects -- Physiological aspects, Agriculture -- Research -- Physiological aspects -- Genetic aspects, Winter wheat -- Physiological aspects -- Genetic aspects -- Research, Crops -- Research -- Genetic aspects -- Physiological aspects, Agricultural industry, Business
Abstract

Genotype x environment interaction is a commonly observed phenomenon in experiments in plant breeding and genetics. This interaction can be modeled by different statistical models which can include covariates, such as in biadditive factorial regression, or in other ways, such as in the classical additive main effect and multiplicative interaction (AMMI) model. The aim of this paper was to explain genotype x environment interaction in multienvironment trials of winter wheat (Triticum aestivum L.) by environmental variates to assess the genotype sensitivities to the environmental conditions and to compare the results from biadditive factorial regression (BIAREG) and AMMI. Data consisted of 13 lines grown in France in 14 environments (combinations of two years, four locations and two treatments). Grain yield and heading date were measured and the environments were characterized by climatic data (water deficit, radiation, temperature above 25°C) and by observations of powdery mildew infection (caused by Erysiphe graminis DC F. sp. tritici), lodging, and nitrogen status. AMMI model explained most of the genotype X environment interaction (77.4%) but did not provide a direct biological explanation. BIAREG explained a slightly smaller part (74.0%) but with fewer degrees of freedom. The contributions of the environmental variates to the synthetic variates revealed two important subsets of initial covariates--biotic variates and nitrogen status in contrast to climatic ones--associated with the interaction. The interactive pattern of the genotypes and the environments was similar for both models. BIAREG is more powerful than AMMI because it provides a description of the sensitivities of the genotypes in regard to the observed environmental covariates. When environments can be characterized by variates, we suggest that BIAREG can complement AMMI because it provides direct biological explanation of the interaction., EXPERIMENTS IN PLANT BREEDING AND GENETICS generally require several locations, years, and genotypes. In most cases, genotype x environment interaction is observed and needs to be modeled and interpreted. Models [...]

Published
2003

26. Genetic improvement of agronomic traits of winter wheat cultivars released in France from 1946 to 1992. (Crop Breeding, Genetics & Cytology)

Author

Brancourt-Hulmel, M., Doussinault, G., Lecomte, C., Berard, P., Le Buanec, B., and Trottet, M.

Subjects
Wheat -- Physiological aspects -- Genetic aspects, Cultivars -- Genetic aspects -- Physiological aspects, Agricultural industry, Business
Abstract

In a context where agricultural practices in Europe are likely to go toward extensive systems with lower inputs, it is important to determine the genetic improvement of winter wheat (Triticum aestivum L.) not only in high-input agricultural systems but also in low-input systems. This study assesses the improvement in agronomic traits of winter wheat cultivars cultivated in France during the second half of the 20th century at four agronomic treatments: two levels of fungicide were combined with two levels of nitrogen fertilizer. Fourteen cultivars introduced between 1946 and 1992 were grown for two years (1994 and 1995) at five locations. Selection played a major role in the increase in winter wheat yield after 1946. The contribution of selection to this increase depended on the agronomic treatment and varied from one third to one half. Reduction of height was the most important factor. New cultivars with shorter straw expressed higher harvest index values and more consistent higher yields since they were less susceptible to lodging. The ability to produce more kernels from a given total above-ground biomass was the second factor. The number of kernels per unit area had increased over time without alteration of the weight of the kernels. The negative relationship between 1000-kernel weight and kernel number/[m.sup.2] was therefore shifted and new cultivars were thus able to fill more kernels than older entries. Modern cultivars used N more efficiently than their predecessors. The future challenge will be to obtain, in low-input systems, the same genetic gains as in high-input systems., THE YIELD OF WHEAT increased very slowly in France during the 19th and early 20th centuries, from 0.9 Mg [ha.sup.-1] in 1800 to 2.0 Mg [ha.sup.-1] in 1950, with a [...]

Published
2003

30. Experimental electron density of 1-phenyl-4-nitroimidazole and topological analysis of C-H...O and C-H...N hydrogen bonds

Author

Kubicki, M., Borowiak, T., Dutkiewicz, G., Souhassou, M., Jelsch, C., and Lecomte, C.

Subjects
Chemistry, Physical and theoretical -- Research, Imidazole -- Physiological aspects, Nitrogen -- Physiological aspects, Carbon -- Physiological aspects, Hydrogen bonding -- Physiological aspects, Diffraction -- Physiological aspects, Chemicals, plastics and rubber industries
Published
2002

36. AcID - Indicateurs de diagnostic et suivi de l’acidose ruminale subaiguë dans les troupeaux de vaches et chèvres laitières

Author

Lechartier, Cyril, Bareille, Nathalie, Lefrieux, Yves, Giger-Reverdin, Sylvie, Davière, J.B., Lecomte, C., Trou, G., Legarto, J., and Gelé, Mylène

Subjects
acide gras, spectrométrie MIR, alimentation, fréquence
Abstract

Le projet CasDar AcID (acidose et indicateurs pour le diagnostic) a débuté en janvier 2014. Son objectif était d’utiliser le profil en acides gras (AG) du lait comme prédicteur des paramètres fermentaires du rumen et donc de l’acidose ruminale subaiguë (ARSA) chez la vache laitière et la chèvre laitière. La quantification de ces profils en routine par spectrométrie moyen infrarouge (MIR) devait permettre, via des enquêtes en élevage, d’estimer la fréquence de l’ARSA dans les troupeaux, d’identifier les animaux les plus sensibles et les pratiques alimentaires à risque, et d’évaluer les effets de l’acidose sur la santé des femelles et leurs performances de production. Chez la vache laitière, le projet a permis de mettre en évidence une relation curvilinéaire entre un ratio d’AG pairs/AG impairs du lait et le rapport acétate sur propionate (C2/C3) du jus de rumen. Une équation spécifique a été développée à partir des spectres MIR afin de pouvoir estimer ce rapport en routine, avec une précision satisfaisante (R² = 0.82). En chèvres laitière, aucune relation nette entre les AG du lait et les paramètres fermentaires du rumen n’a été mise en évidence, et l’estimation directe des paramètres fermentaires par spectrométrie MIR n’a pas été concluante. L’enquête en élevage a été de type cas / témoin en bovins où 60 troupeaux ont été recrutés sur la base du profil en AG du lait et du ratio TB/TP (Taux Butyreux/Taux Protéique). En caprins, 94 enquêtes ont été valorisées dans des élevages recrutés sur la base de leur conduite alimentaire. Les résultats de ces enquêtes convergent entre espèces : le faible nombre de cas d’ARSA observés ou suspectés dans les troupeaux enquêtés confirment les facteurs de risques déjà connus, et montrent que la stratégie de prévention de l’ARSA encouragée dans les élevages fonctionne., The AcID (acidosis and diagnosis indicators) project was funded by CasDar and began in January 2014. The aim of the project was to use milk fatty acids profile to predict ruminal fermentations and subacute ruminal acidosis (SARA). The estimation of milk fatty acids profiles in routine using mid infrared (MIR) spectroscopy coupled with field surveys were supposed to make it possible to calculate SARA [br/] frequency in dairy cows herds and dairy goats flocks. This method was also supposed to make it possible to identify sensitive animals and risky feeding practices, and to evaluate the effects of SARA on animal health and milk production. In dairy cows, a curvilinear relationship between even to odd fatty acids ratio in milk and ruminal acetate to propionate (C2/C3) ratio has been brought to light. Milk MIR spectra were used to build an equation to estimate C2/C3 ratio in routine with quite good precision (R² = 0.82). In dairy goats, no relationship between milk fatty acids and ruminal fermentation parameters has been highlighted, and the estimation of fermentation parameters directly from MIR spectra was not precise enough. A case-control survey was led in 60 dairy cows herds which were recruited on the basis of their milk fatty acids profile and fat to protein ratio. 94 field surveys were conducted in dairy goats flocks on the basis of their feeding practices. Results from the surveys are similar between species: very few SARA cases were observed or suspected, the feeding practises identified as risky were already known, and the strategy used to prevent SARA is working quite well.

Published
2019

37. AcID - Indicateurs de diagnostic et suivi de l’acidose ruminale subaiguë dans les troupeaux de vaches et chèvres laitières

Author

Gelé, Mylène, Lechartier, Cyril, Bareille, Nathalie, Lefrieux, Yves, Giger-Reverdin, Sylvie, Davière, J.B., Lecomte, C., Trou, G., Legarto, J., Maison Nationale des Eleveurs, Institut de l'Elevage, Ecole Supérieure d'Agricultures d'Angers (ESA d'Angers), UMR 1300 Biologie, Epidémiologie et Analyse du Risque, Institut National de la Recherche Agronomique (INRA)-Ecole Nationale Vétérinaire, Agroalimentaire et de l'alimentation Nantes-Atlantique (ONIRIS)-Biologie, Epidémiologie et Analyse du Risque (BioEpAR)-Santé animale (S.A.), Modélisation Systémique Appliquée aux Ruminants (MoSAR), Institut National de la Recherche Agronomique (INRA)-AgroParisTech, Clasel, France Conseil Elevage, Chambres d’Agriculture de Bretagne, Institut de l'élevage (IDELE), and AgroParisTech-Institut National de la Recherche Agronomique (INRA)

Subjects
alimentation, acide gras, [SDV]Life Sciences [q-bio], spectrométrie MIR, fréquence
Abstract

Ce volume regroupe les textes issus du programme Casdar "Innovation et Partenariat" et "Recherche finalisée et innovation" de 2013. Le colloque de restitution s’est déroulé le 6 février 2019 sous l’égide du GIS Relance Agronomique; The AcID (acidosis and diagnosis indicators) project was funded by CasDar and began in January 2014.The aim of the project was to use milk fatty acids profile to predict ruminal fermentations and subacuteruminal acidosis (SARA). The estimation of milk fatty acids profiles in routine using mid infrared (MIR)spectroscopy coupled with field surveys were supposed to make it possible to calculate SARA frequency in dairy cows herds and dairy goats flocks. This method was also supposed to make itpossible to identify sensitive animals and risky feeding practices, and to evaluate the effects of SARA onanimal health and milk production. In dairy cows, a curvilinear relationship between even to odd fattyacids ratio in milk and ruminal acetate to propionate (C2/C3) ratio has been brought to light. Milk MIRspectra were used to build an equation to estimate C2/C3 ratio in routine with quite good precision (R² =0.82). In dairy goats, no relationship between milk fatty acids and ruminal fermentation parameters hasbeen highlighted, and the estimation of fermentation parameters directly from MIR spectra was notprecise enough. A case-control survey was led in 60 dairy cows herds which were recruited on the basisof their milk fatty acids profile and fat to protein ratio. 94 field surveys were conducted in dairy goatsflocks on the basis of their feeding practices. Results from the surveys are similar between species: veryfew SARA cases were observed or suspected, the feeding practises identified as risky were alreadyknown, and the strategy used to prevent SARA is working quite well.; Le projet CasDar AcID (acidose et indicateurs pour le diagnostic) a débuté en janvier 2014. Son objectifétait d’utiliser le profil en acides gras (AG) du lait comme prédicteur des paramètres fermentaires durumen et donc de l’acidose ruminale subaiguë (ARSA) chez la vache laitière et la chèvre laitière. Laquantification de ces profils en routine par spectrométrie moyen infrarouge (MIR) devait permettre, viades enquêtes en élevage, d’estimer la fréquence de l’ARSA dans les troupeaux, d’identifier les animauxles plus sensibles et les pratiques alimentaires à risque, et d’évaluer les effets de l’acidose sur la santédes femelles et leurs performances de production. Chez la vache laitière, le projet a permis de mettreen évidence une relation curvilinéaire entre un ratio d’AG pairs/AG impairs du lait et le rapport acétatesur propionate (C2/C3) du jus de rumen. Une équation spécifique a été développée à partir desspectres MIR afin de pouvoir estimer ce rapport en routine, avec une précision satisfaisante (R² = 0.82).En chèvres laitière, aucune relation nette entre les AG du lait et les paramètres fermentaires du rumenn’a été mise en évidence, et l’estimation directe des paramètres fermentaires par spectrométrie MIR n’apas été concluante. L’enquête en élevage a été de type cas / témoin en bovins où 60 troupeaux ont étérecrutés sur la base du profil en AG du lait et du ratio TB/TP (Taux Butyreux/Taux Protéique). Encaprins, 94 enquêtes ont été valorisées dans des élevages recrutés sur la base de leur conduitealimentaire. Les résultats de ces enquêtes convergent entre espèces : le faible nombre de cas d’ARSAobservés ou suspectés dans les troupeaux enquêtés confirment les facteurs de risques déjà connus, etmontrent que la stratégie de prévention de l’ARSA encouragée dans les élevages fonctionne.

Published
2019

38. Precoce and opposite response of proteasome activity after acute or chronic exposure of C. elegans to γ-radiation

Author

Dubois, C., Lecomte, C., Ruys, S.P., Kuzmic, M., Della-Vedova, C., Dubourg, N., Galas, S., Frelon, S., Laboratoire d'écotoxicologie des radionucléides (PRP-ENV/SERIS/LECO), Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Laboratoire de Recherche sur les Transferts de radionucléides dans les écosystèmes Aquatiques (LRTA), Institut des Biomolécules Max Mousseron [Pôle Chimie Balard] (IBMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), and Institut de Radioprotection et de SÛreté Nucléaire, IRSN

Subjects
Proteasome Endopeptidase Complex, Reproduction, lcsh:R, lcsh:Medicine, Dose-Response Relationship, Radiation, Article, Protein Carbonylation, Kinetics, Gamma Rays, Proteolysis, Animals, lcsh:Q, [SDV.TOX.ECO]Life Sciences [q-bio]/Toxicology/Ecotoxicology, lcsh:Science, Caenorhabditis elegans
Abstract

International audience; Species are chronically exposed to ionizing radiation, a natural phenomenon which can be enhanced by human activities. The induced toxicity mechanisms still remain unclear and seem depending on the mode of exposure, i.e. acute and chronic. To better understand these phenomena, studies need to be conducted both at the subcellular and individual levels. Proteins, functional molecules in organisms, are the targets of oxidative damage (especially via their carbonylation (PC)) and are likely to be relevant biomarkers. After exposure of Caenorhabditis elegans to either chronic or acute γ rays we showed that hatching success is impacted after acute but not after chronic irradiation. At the molecular level, the carbonylated protein level in relation with dose was slightly different between acute and chronic exposure whereas the proteolytic activity is drastically modified. Indeed, whereas the 20S proteasome activity is inhibited by acute irradiation from 0.5 Gy, it is activated after chronic irradiation from 1 Gy. As expected, the 20S proteasome activity is mainly modified by irradiation whereas the 26S and 30S activity are less changed. This study provides preliminaries clues to understand the role of protein oxidation and proteolytic activity in the radiation-induced molecular mechanisms after chronic versus acute irradiation in C. elegans.

Published
2018

40. Synthesis and characterization of leiurotoxin I analogs lacking one disulfide bridge: evidence that disulfide pairing 3-21 is not required for full toxin activity

Author

Sabatier, J.-M., Lecomte, C., Mabrouk, K., Darbon, H., Oughideni, R., Canarelli, S., Rochat, H., Martin-Eauclaire, M.-F., and Rietschoten, J. Van

Subjects
Toxins -- Research, Scorpions -- Venom, Polypeptides -- Research, Biological sciences, Chemistry
Abstract

The function of the three disulfide bridges which cross-link the 31-residue polypeptide leiurotoxin I (Lei-NH2), a toxin from the venom of the scorpion Leiurus quinquestriatus, is examined. Analogs of Lei-NH2 without one disulfide bridge were studied. Findings indicate that disulfide bridge Cys3-Cys21 is not important for high toxin activity. Circular dichroism (CD) spectroscopy revealed that only (Abu3,21)Lei-NH2 showed a CD spectrum similar to that of Lei-NH2.

Published
1996

42. Determinants of shingles vaccine acceptance in the United Kingdom.

Author

Angelillo, IF, Bricout, H, Torcel-Pagnon, L, Lecomte, C, Almas, MF, Matthews, I, Lu, X, Wheelock, A, Sevdalis, N, Angelillo, IF, Bricout, H, Torcel-Pagnon, L, Lecomte, C, Almas, MF, Matthews, I, Lu, X, Wheelock, A, and Sevdalis, N

Abstract

BACKGROUND: The United Kingdom (UK) was the first European country to introduce a national immunisation program for shingles (2013-2014). That year, vaccination coverage ranged from 50 to 64% across the UK, but uptake has declined ever since. This study explored determinants of the acceptance of the shingles vaccine in the UK. METHODS: Vaccinated and unvaccinated individuals, who were eligible for the last catch-up cohort of the 2014-2015 shingles vaccination campaign, were identified using the Clinical Practice Research Datalink (the National Health Service data research service) and invited to participate by their general practitioner (GP). An anonymised self-administered questionnaire was developed using the Health Belief Model as a theoretical framework, to collect data on demographic and socio-economic characteristics, health status, knowledge, influences, experiences and attitudes to shingles and the shingles vaccine. Multivariable logistic regression was used to identify the factors associated with vaccination. Physicians' views concerning perceived barriers to vaccination were also assessed. RESULTS: Of the 2,530 questionnaires distributed, 536 were returned (21.2%) from 69 general practices throughout the UK. The majority of responders were female (58%), lived in care homes (56%) and had completed secondary or higher education (88%). There were no differences between vaccinated and unvaccinated responders. Being offered the shingles vaccine by a GP/nurse (odds ratio (OR) = 2.3), and self-efficacy (OR = 1.2) were associated with being vaccinated (p<0.05). In contrast, previous shingles history (OR = 0.4), perceived barriers to vaccination (OR = 0.7) and perceived control of the disease (OR = 0.7) were associated with not being vaccinated against shingles (p<0.05). Less than half (44.0%) of GPs were aware of the local communication campaigns regarding shingles and the shingles vaccine. CONCLUSIONS: Socio-psychological factors largely influence shingles vaccin

Published
2019

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