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  • Neuroinformatics
  • 2019-2023
  • Open Access

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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Mariam, Houssein; Poulichet, Patrick; Takhedmit, Hakim; Lionel, Rousseau; +4 Authors

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    Authors: Ningtao Li; Ningtao Li; Ning Xu; Yunan Lin; +7 Authors

    Testosterone (T), predominantly acting through its derivative 17β-estradiol (E2), regulates the brain’s sexual differentiation in rodents during the perinatal sensitive period, which mirrors the window of vulnerability to the adverse effects of general anesthetics. The mechanisms of anesthesia’s adverse effects are poorly understood. We investigated whether sevoflurane alters T and E2 levels and whether they contribute to sevoflurane’s acute adverse effects in postnatal day 5 Sprague-Dawley rats. The rats underwent electroencephalography recordings for 2 h of baseline activity or for 1 h before and another hour during 2.1% sevoflurane exposure, followed by collection of trunk blood and brain tissue. Pharmacological agents, including the GABA type A receptor inhibitor bicuculline and the aromatase inhibitor formestane, were administered 30 min before sevoflurane anesthesia. Sevoflurane increased serum T levels in males only. All other effects of sevoflurane were similar in both sexes, including increases in serum levels of E2, hypothalamic mRNA levels of aromatase, estrogen receptor α (Erα) [not estrogen receptor β (Erβ)], Na+-K+-Cl− cotransporter (Nkcc1)/K+-Cl− cotransporter (Kcc2) mRNA ratio, electroencephalography-detectable seizures, and stress-like corticosterone secretion. Bicuculline and formestane alleviated these effects, except the T level increases. The ERα antagonist MPP, but not the ERβ antagonist PHTPP, reduced electroencephalography-detectable seizures and normalized the Nkcc1/Kcc2 mRNA ratio. Collectively, sevoflurane exacerbates levels of T in males and E2 in both sexes during the period of their organizational effects in rodents. Sevoflurane acts through GABAAR-mediated, systemic T-independent elevation of E2 to cause electroencephalography-detectable seizures, stress-like corticosterone secretion, and changes in the expression of genes critical for brain development.

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    Europe PubMed Central
    Article . 2020
    Data sources: PubMed Central
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    Frontiers in Endocrinology
    Article . 2020 . Peer-reviewed
    License: CC BY
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    Frontiers in Endocrinology
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      Europe PubMed Central
      Article . 2020
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      Frontiers in Endocrinology
      Article . 2020 . Peer-reviewed
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      Frontiers in Endocrinology
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    Authors: F. Lott; R. Rani; A. Podglajen; F. Codron; +3 Authors

    AbstractThe parameterization scheme that represents gravity waves due to convection in LMDz‐6A, the atmospheric components of the IPSL coupled climate model (IPSLCM6), is directly compared to Strateole‐2 balloon observations made in the lower tropical stratosphere from November 2019 to February 2020. The input meteorological fields necessary to run the parameterization offline are extracted from the ERA5 reanalysis and correspond to the instantaneous meteorological conditions found underneath the balloons. In general, we find a fair agreement between measurements of the momentum fluxes due to waves with periods less than 1 hr and the parameterization. The correlation of the daily values between the observations and the results of the parameterization is around 0.4, which is statistically elevated considering that we analyze around 600 days of data and surprisingly good considering that the parameterization has not been tuned: the scheme is just the standard one that helps producing a quasi‐biennial oscillation (QBO) in the IPSLCM6 model. Online simulations also show that the measured values of momentum fluxes are well representative of the zonally and averaged values of momentum fluxes needed in LMDz‐6A to simulate a QBO. The observations also show that longer waves with periods smaller than a day carry about twice as much flux as waves with periods smaller than an hour, which is a challenge since the low period waves that make the difference are potentially in the “gray zone” of most climate models.

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    Journal of Geophysical Research Atmospheres
    Article . 2023 . Peer-reviewed
    License: Wiley Online Library User Agreement
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    Article . 2022
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Hyper Article en Lig...arrow_drop_down
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Nguyen Van, Eric;

    Cette thèse étudie la possibilité d’améliorer les performances d’un avion de transport à travers un relâchement de la stabilité de route et une réduction de l’empennage vertical. L’idée principale est l’utilisation active de la poussée différentielle, rendue possible grâce au changement de paradigme apporté par la propulsion électrique distribuée. Ce moyen de contrôle supplémentaire et la réduction de l’empennage vertical sont étudiés en trois axes principaux. L’objectif de la première partie est l’évaluation de la stabilité de route ainsi que la contrôlabilité directionnelle de l’avion afin d’identifier les conditions de vol dimensionnant l’empennage vertical. Une contribution est apportée afin de prendre en compte l’aspect non-conventionnelle de la propulsion électrique distribuée. Des outils mathématiques sont développés pour trimmer l’avion utilisant la poussée différentielle comme moyen de contrôle et des outils aérodynamiques sont développés afin de modéliser un empennage vertical de taille variable ainsi que les interactions aéro-propulsives apparaissant sur une voilure soufflée par des hélices. Cette analyse permet d’isoler des conditions dimensionnantes, particulièrement en cas de pannes moteur au décollage et conduit à une réduction significative de la taille de l’empennage pour des cas statiques. De plus, il est montré que la gouverne de direction peut être remplacée par la poussée différentielle.Dans une seconde partie, les aspects dynamiques d’un avion utilisant la poussée différentielle à la place d’une gouverne de direction sont abordés. Une méthode est proposée afin de répondre au questionnement suivant : comment l’empennage vertical et les systèmes de propulsion devraient être dimensionnés afin de satisfaire un ensemble de qualités de vol imposées ? Une architecture de contrôle automatique et une méthode de co-design se basant sur la synthèse H1 structurée et sur des outils d’optimisation non convexe sont utilisés pour gérer le compromis entre la taille de l’empennage vertical et la bande passante des moteurs. Cet ensemble d’outils est ensuite mis à contribution pour étudier l’avion dans les conditions définies dans la première partie et notamment en présence de pannes moteur. Dans une dernière partie, un moyen de recherche expérimentale est développé afin de contribuer à un effort de production de donnée sur la propulsion électrique distribuée. Ce démonstrateur de vol est spécifiquement orienté vers l’étude de la mécanique de vol latérale d’un avion possédant une aile soufflée. Il a été possible d’identifier depuis les mesures réalisées en vol, les dérivées aérodynamiques de l’avion ainsi que leur dépendance à la poussée. Cela a ensuite permis d’illustrer les particularités de la dynamique de vol d’un avion à propulsion distribuée et aile soufflée. The possibility to increase the performance of a transport aircraft through a relaxation of the directional static stability, also called weathercock stability, is studied in this thesis. A change of paradigm brought by the concept of distributed electric propulsion allows the consideration of an active use of differential thrust. This additional means of flight control and the reduction of the vertical tail are the main ideas explored in this work. In a first part, the directional static stability and controllability of an aircraft are evaluated to find the sizing flight conditions for the vertical tail. The contribution here is to take into account the specificities of the unconventional propulsion system. Mathematical tools are developed to trim the aircraft using differential thrust as a mean of directional control and aerodynamic tools are constructed to describe the variable vertical tail size and the aero-propulsive interactions taking place between a propeller and a wing. This analysis isolates a sizing flight condition, particularly the case of engine failure at take-off, for the vertical tail and leads to a significant reduction in surface area. It is also shown that the rudder control surface could be removed and replaced by differential thrust. In a second part, the flight dynamic aspects of an aircraft with a small vertical tail and differential thrust as the only means of directional control are studied. A methodology is proposed to answer the question of how should the vertical tail and propulsion system be designed to satisfy a set of prescribed flight handling qualities ? An automatic control architecture and co-design methodology relying on structured H1 control design and non convex optimisation tools are utilized and developed to manage the trade off between vertical tail size and engine bandwidth. This framework is used in the flight conditions defined in the first part and notably in presence of engine failures.In a last part, a means of experimental research is developed to contribute to an effort to produce experimental data on distributed electric propulsion. This flight demonstrator is specifically oriented toward the study of the lateral flight mechanics of an aircraft having a large portion of the wing embedded in the propeller slipstream. It was possible to identify the aerodynamic derivatives and their dependence on the thrust from the flight data to illustrate the particularity of flight dynamics with distributed propulsion and blown wing.

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    Doctoral thesis . 2020
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      Doctoral thesis . 2020
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    Authors: Morel, Jean-Paul; Villedieu, Françoise;

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    Authors: Jacquemard, Célien;

    Depuis sa découverte en 1983, Le VIH-1 constitue un problème de santé publique majeur. A ce jour, malgré de nombreux traitements efficaces, les personnes infectées ne peuvent pas guérir, et le virus n’est toujours pas éradiqué. Pour prévenir l’émergence de souches résistances aux traitement ou plus agressives dans la progression de la maladie, il est essentiel de comprendre les interactions du virus avec la cellule qu’il infecte. L’entrée virale est pour cela une étape clé du cycle viral, avec la reconnaissance par le glycoprotéine virale gp120 du corécepteur, majoritairement CCR5. Il est désormais établi que le VIH-1 exploite la diversité des populations de récepteurs à la surface des cellules. Les travaux présentés dans cette thèse caractérisent, à l’échelle atomique, les différences de conformations correspondant aux populations ciblées par quatre virus différents. Nous avons utilisé la dynamique moléculaire pour simuler la dynamique du corécepteur CCR5 lié aux variantes de la gp120. L’analyse des trajectoires a conduit au développement d’une nouvelle méthode, ATOLL, qui permet de prédire les propriétés fonctionnelles du ligand, ici les variantes de la gp120, à partir de la position de extrémités intracellulaires des domaines transmembranaire d’un récepteur couplé à une protéine G, ici le CCR5. Nous avons aussi réussi à distinguer les populations de CCR5 liées aux gp120 par des motifs d’interactions intermoléculaires spécifiques. Dans le but d’exploiter ces motifs pour l’identification par criblage virtuel des petites molécules capables d’imiter une variante donnée de la gp120, nous avons développé LID, une méthode de score de docking capable de prendre en compte les multiples structures issues des simulations par dynamique moléculaire comme référence pour la sélection de poses. Since its discovery in 1983, HIV-1 has been a major public health problem. Today, despite many effective treatments, the people infected are not cured, and the virus has still not been eradicated. To prevent the emergence of strains that are resistant to treatment or that are more aggressive in the progression of the disease, it is essential to understand the interactions of the virus with the cell it infects. Viral entry is therefore a key step in the viral cycle. It requires the recognition by the viral glycoprotein gp120 of the coreceptor, which is mainly CCR5. It is now established that HIV-1 exploits the diversity of receptor populations that exist on the surface of cells. The work presented in this thesis characterizes, at the atomic scale, the differences in conformations corresponding to the populations targeted by four different viruses. We used molecular dynamics to simulate the CCR5 coreceptor in complex with the gp120 variants. The trajectories analysis prompted us to the development of a new method, ATOLL, which is able to predict the functional properties of the ligand, here the variants of gp120, from the position of the intracellular tails of the transmembrane domains of a G-protein coupled receptor, here CCR5. We also observed that the CCR5 populations selected by the gp120 variants have specific intermolecular interaction patterns. In order to exploit these patterns for the identification by virtual screening of small molecules mimicking a given variant of gp120, we have developed a docking score method, named LID, which is able to take into account as a reference for the selection of poses the multiple structures issued by the simulations by molecular dynamics.

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    Authors: Tisseyre, Sandrine;

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    Oskar Bordeaux
    Article . 2021
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    Authors: Dupuis, Clémence;

    International audience; L’espace commun territorial est une proposition notionnelle permettant de défaire une contre intuition aménagiste, bien répandue, suivant laquelle effacer, masquer ou travestir l’hostile dans l’espace rendrait le territoire plus habitable. Le courage d’ouvrir l’ensemble de ses valeurs à une hostilité que l’on verra relative, permettrait au contraire de traduire l’espace en territoire plus habitable avec lui. L’architecture serait langage de cette traduction ouverte et égalitaire et sensible, condition même de la naissance d’un territoire plus grand avec lui.

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    Oskar Bordeaux
    Conference object . 2019
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    Authors: Negin Manshouri; Mesut Melek; Temel Kayikcioglu;

    Despite the long and extensive history of 3D technology, it has recently attracted the attention of researchers. This technology has become the center of interest of young people because of the real feelings and sensations it creates. People see their environment as 3D because of their eye structure. In this study, it is hypothesized that people lose their perception of depth during sleepy moments and that there is a sudden transition from 3D vision to 2D vision. Regarding these transitions, the EEG signal analysis method was used for deep and comprehensive analysis of 2D and 3D brain signals. In this study, a single-stream anaglyph video of random 2D and 3D segments was prepared. After watching this single video, the obtained EEG recordings were considered for two different analyses: the part involving the critical transition (transition-state) and the state analysis of only the 2D versus 3D or 3D versus 2D parts (steady-state). The main objective of this study is to see the behavioral changes of brain signals in 2D and 3D transitions. To clarify the impacts of the human brain’s power spectral density (PSD) in 2D-to-3D (2D_3D) and 3D-to-2D (3D_2D) transitions of anaglyph video, 9 visual healthy individuals were prepared for testing in this pioneering study. Spectrogram graphs based on Short Time Fourier transform (STFT) were considered to evaluate the power spectrum analysis in each EEG channel of transition or steady-state. Thus, in 2D and 3D transition scenarios, important channels representing EEG frequency bands and brain lobes will be identified. To classify the 2D and 3D transitions, the dominant bands and time intervals representing the maximum difference of PSD were selected. Afterward, effective features were selected by applying statistical methods such as standard deviation (SD), maximum (max), and Hjorth parameters to epochs indicating transition intervals. Ultimately, k-Nearest Neighbors (k-NN), Support Vector Machine (SVM), and Linear Discriminant Analysis (LDA) algorithms were applied to classify 2D_3D and 3D_2D transitions. The frontal, temporal, and partially parietal lobes show 2D_3D and 3D_2D transitions with a good classification success rate. Overall, it was found that Hjorth parameters and LDA algorithms have 71.11% and 77.78% classification success rates for transition and steady-state, respectively.

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    https://doi.org/10.20944/prepr...
    Preprint . 2020
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      https://doi.org/10.20944/prepr...
      Preprint . 2020
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    Authors: Virendra R, Desai; Aditya, Vedantam; Sandi K, Lam; Lucia, Mirea; +5 Authors

    OBJECTIVEDetermining language laterality in patients with intractable epilepsy is important in operative planning. Wada testing is the gold standard, but it has a risk of stroke. Both Wada and task-based functional MRI (tb-fMRI) require patient cooperation. Recently, resting-state fMRI (rs-fMRI) has been explored for language lateralization. In the present study, the correlation between rs-fMRI and tb-fMRI in language lateralization is estimated in a pediatric population with intractable epilepsy.METHODSrs-fMRI and tb-fMRI language lateralization testing performed as part of epilepsy surgery evaluation was retrospectively reviewed.RESULTSTwenty-nine patients underwent rs-fMRI and tb-fMRI; a total of 38 rs-fMRI studies and 30 tb-fMRI studies were obtained. tb-fMRI suggested left dominance in 25 of 30 cases (83%), right in 3 (10%), and in 2 (7%) the studies were nondiagnostic. In rs-fMRI, 26 of 38 studies (68%) suggested left dominance, 3 (8%) right dominance, 6 (16%) bilateral, and 3 (8%) were nondiagnostic. When tb-fMRI lateralized to the left hemisphere (25 cases), rs-fMRI was lateralized to the left in 23 patients (92%) and it was bilateral/equal in 2 (8%). When tb-fMRI lateralized to the right (3 cases), rs-fMRI lateralized to the right in all cases (100%). The overall concordance rate was 0.93 (95% CI 0.76–0.99) when considering cases with tb-fMRI and rs-fMRI performed within 6 months of each other, and tb-fMRI results were not nondiagnostic.CONCLUSIONSrs-fMRI significantly correlated with tb-fMRI in lateralizing language and suggests the potential role for identifying hemispheric dominance via rs-fMRI. Further investigation and validation studies are warranted.

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    Journal of Neurosurgery Pediatrics
    Article . 2019 . Peer-reviewed
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      Journal of Neurosurgery Pediatrics
      Article . 2019 . Peer-reviewed
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    Authors: Mariam, Houssein; Poulichet, Patrick; Takhedmit, Hakim; Lionel, Rousseau; +4 Authors

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    Authors: Ningtao Li; Ningtao Li; Ning Xu; Yunan Lin; +7 Authors

    Testosterone (T), predominantly acting through its derivative 17β-estradiol (E2), regulates the brain’s sexual differentiation in rodents during the perinatal sensitive period, which mirrors the window of vulnerability to the adverse effects of general anesthetics. The mechanisms of anesthesia’s adverse effects are poorly understood. We investigated whether sevoflurane alters T and E2 levels and whether they contribute to sevoflurane’s acute adverse effects in postnatal day 5 Sprague-Dawley rats. The rats underwent electroencephalography recordings for 2 h of baseline activity or for 1 h before and another hour during 2.1% sevoflurane exposure, followed by collection of trunk blood and brain tissue. Pharmacological agents, including the GABA type A receptor inhibitor bicuculline and the aromatase inhibitor formestane, were administered 30 min before sevoflurane anesthesia. Sevoflurane increased serum T levels in males only. All other effects of sevoflurane were similar in both sexes, including increases in serum levels of E2, hypothalamic mRNA levels of aromatase, estrogen receptor α (Erα) [not estrogen receptor β (Erβ)], Na+-K+-Cl− cotransporter (Nkcc1)/K+-Cl− cotransporter (Kcc2) mRNA ratio, electroencephalography-detectable seizures, and stress-like corticosterone secretion. Bicuculline and formestane alleviated these effects, except the T level increases. The ERα antagonist MPP, but not the ERβ antagonist PHTPP, reduced electroencephalography-detectable seizures and normalized the Nkcc1/Kcc2 mRNA ratio. Collectively, sevoflurane exacerbates levels of T in males and E2 in both sexes during the period of their organizational effects in rodents. Sevoflurane acts through GABAAR-mediated, systemic T-independent elevation of E2 to cause electroencephalography-detectable seizures, stress-like corticosterone secretion, and changes in the expression of genes critical for brain development.

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    Europe PubMed Central
    Article . 2020
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    Frontiers in Endocrinology
    Article . 2020 . Peer-reviewed
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    Frontiers in Endocrinology
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      Frontiers in Endocrinology
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    Authors: F. Lott; R. Rani; A. Podglajen; F. Codron; +3 Authors

    AbstractThe parameterization scheme that represents gravity waves due to convection in LMDz‐6A, the atmospheric components of the IPSL coupled climate model (IPSLCM6), is directly compared to Strateole‐2 balloon observations made in the lower tropical stratosphere from November 2019 to February 2020. The input meteorological fields necessary to run the parameterization offline are extracted from the ERA5 reanalysis and correspond to the instantaneous meteorological conditions found underneath the balloons. In general, we find a fair agreement between measurements of the momentum fluxes due to waves with periods less than 1 hr and the parameterization. The correlation of the daily values between the observations and the results of the parameterization is around 0.4, which is statistically elevated considering that we analyze around 600 days of data and surprisingly good considering that the parameterization has not been tuned: the scheme is just the standard one that helps producing a quasi‐biennial oscillation (QBO) in the IPSLCM6 model. Online simulations also show that the measured values of momentum fluxes are well representative of the zonally and averaged values of momentum fluxes needed in LMDz‐6A to simulate a QBO. The observations also show that longer waves with periods smaller than a day carry about twice as much flux as waves with periods smaller than an hour, which is a challenge since the low period waves that make the difference are potentially in the “gray zone” of most climate models.

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    Journal of Geophysical Research Atmospheres
    Article . 2023 . Peer-reviewed
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    Authors: Nguyen Van, Eric;

    Cette thèse étudie la possibilité d’améliorer les performances d’un avion de transport à travers un relâchement de la stabilité de route et une réduction de l’empennage vertical. L’idée principale est l’utilisation active de la poussée différentielle, rendue possible grâce au changement de paradigme apporté par la propulsion électrique distribuée. Ce moyen de contrôle supplémentaire et la réduction de l’empennage vertical sont étudiés en trois axes principaux. L’objectif de la première partie est l’évaluation de la stabilité de route ainsi que la contrôlabilité directionnelle de l’avion afin d’identifier les conditions de vol dimensionnant l’empennage vertical. Une contribution est apportée afin de prendre en compte l’aspect non-conventionnelle de la propulsion électrique distribuée. Des outils mathématiques sont développés pour trimmer l’avion utilisant la poussée différentielle comme moyen de contrôle et des outils aérodynamiques sont développés afin de modéliser un empennage vertical de taille variable ainsi que les interactions aéro-propulsives apparaissant sur une voilure soufflée par des hélices. Cette analyse permet d’isoler des conditions dimensionnantes, particulièrement en cas de pannes moteur au décollage et conduit à une réduction significative de la taille de l’empennage pour des cas statiques. De plus, il est montré que la gouverne de direction peut être remplacée par la poussée différentielle.Dans une seconde partie, les aspects dynamiques d’un avion utilisant la poussée différentielle à la place d’une gouverne de direction sont abordés. Une méthode est proposée afin de répondre au questionnement suivant : comment l’empennage vertical et les systèmes de propulsion devraient être dimensionnés afin de satisfaire un ensemble de qualités de vol imposées ? Une architecture de contrôle automatique et une méthode de co-design se basant sur la synthèse H1 structurée et sur des outils d’optimisation non convexe sont utilisés pour gérer le compromis entre la taille de l’empennage vertical et la bande passante des moteurs. Cet ensemble d’outils est ensuite mis à contribution pour étudier l’avion dans les conditions définies dans la première partie et notamment en présence de pannes moteur. Dans une dernière partie, un moyen de recherche expérimentale est développé afin de contribuer à un effort de production de donnée sur la propulsion électrique distribuée. Ce démonstrateur de vol est spécifiquement orienté vers l’étude de la mécanique de vol latérale d’un avion possédant une aile soufflée. Il a été possible d’identifier depuis les mesures réalisées en vol, les dérivées aérodynamiques de l’avion ainsi que leur dépendance à la poussée. Cela a ensuite permis d’illustrer les particularités de la dynamique de vol d’un avion à propulsion distribuée et aile soufflée. The possibility to increase the performance of a transport aircraft through a relaxation of the directional static stability, also called weathercock stability, is studied in this thesis. A change of paradigm brought by the concept of distributed electric propulsion allows the consideration of an active use of differential thrust. This additional means of flight control and the reduction of the vertical tail are the main ideas explored in this work. In a first part, the directional static stability and controllability of an aircraft are evaluated to find the sizing flight conditions for the vertical tail. The contribution here is to take into account the specificities of the unconventional propulsion system. Mathematical tools are developed to trim the aircraft using differential thrust as a mean of directional control and aerodynamic tools are constructed to describe the variable vertical tail size and the aero-propulsive interactions taking place between a propeller and a wing. This analysis isolates a sizing flight condition, particularly the case of engine failure at take-off, for the vertical tail and leads to a significant reduction in surface area. It is also shown that the rudder control surface could be removed and replaced by differential thrust. In a second part, the flight dynamic aspects of an aircraft with a small vertical tail and differential thrust as the only means of directional control are studied. A methodology is proposed to answer the question of how should the vertical tail and propulsion system be designed to satisfy a set of prescribed flight handling qualities ? An automatic control architecture and co-design methodology relying on structured H1 control design and non convex optimisation tools are utilized and developed to manage the trade off between vertical tail size and engine bandwidth. This framework is used in the flight conditions defined in the first part and notably in presence of engine failures.In a last part, a means of experimental research is developed to contribute to an effort to produce experimental data on distributed electric propulsion. This flight demonstrator is specifically oriented toward the study of the lateral flight mechanics of an aircraft having a large portion of the wing embedded in the propeller slipstream. It was possible to identify the aerodynamic derivatives and their dependence on the thrust from the flight data to illustrate the particularity of flight dynamics with distributed propulsion and blown wing.

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    Other literature type . 2020
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    Doctoral thesis . 2020
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      Other literature type . 2020
      Hal-Diderot
      Doctoral thesis . 2020
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    Authors: Morel, Jean-Paul; Villedieu, Françoise;

    International audience

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    Authors: Jacquemard, Célien;

    Depuis sa découverte en 1983, Le VIH-1 constitue un problème de santé publique majeur. A ce jour, malgré de nombreux traitements efficaces, les personnes infectées ne peuvent pas guérir, et le virus n’est toujours pas éradiqué. Pour prévenir l’émergence de souches résistances aux traitement ou plus agressives dans la progression de la maladie, il est essentiel de comprendre les interactions du virus avec la cellule qu’il infecte. L’entrée virale est pour cela une étape clé du cycle viral, avec la reconnaissance par le glycoprotéine virale gp120 du corécepteur, majoritairement CCR5. Il est désormais établi que le VIH-1 exploite la diversité des populations de récepteurs à la surface des cellules. Les travaux présentés dans cette thèse caractérisent, à l’échelle atomique, les différences de conformations correspondant aux populations ciblées par quatre virus différents. Nous avons utilisé la dynamique moléculaire pour simuler la dynamique du corécepteur CCR5 lié aux variantes de la gp120. L’analyse des trajectoires a conduit au développement d’une nouvelle méthode, ATOLL, qui permet de prédire les propriétés fonctionnelles du ligand, ici les variantes de la gp120, à partir de la position de extrémités intracellulaires des domaines transmembranaire d’un récepteur couplé à une protéine G, ici le CCR5. Nous avons aussi réussi à distinguer les populations de CCR5 liées aux gp120 par des motifs d’interactions intermoléculaires spécifiques. Dans le but d’exploiter ces motifs pour l’identification par criblage virtuel des petites molécules capables d’imiter une variante donnée de la gp120, nous avons développé LID, une méthode de score de docking capable de prendre en compte les multiples structures issues des simulations par dynamique moléculaire comme référence pour la sélection de poses. Since its discovery in 1983, HIV-1 has been a major public health problem. Today, despite many effective treatments, the people infected are not cured, and the virus has still not been eradicated. To prevent the emergence of strains that are resistant to treatment or that are more aggressive in the progression of the disease, it is essential to understand the interactions of the virus with the cell it infects. Viral entry is therefore a key step in the viral cycle. It requires the recognition by the viral glycoprotein gp120 of the coreceptor, which is mainly CCR5. It is now established that HIV-1 exploits the diversity of receptor populations that exist on the surface of cells. The work presented in this thesis characterizes, at the atomic scale, the differences in conformations corresponding to the populations targeted by four different viruses. We used molecular dynamics to simulate the CCR5 coreceptor in complex with the gp120 variants. The trajectories analysis prompted us to the development of a new method, ATOLL, which is able to predict the functional properties of the ligand, here the variants of gp120, from the position of the intracellular tails of the transmembrane domains of a G-protein coupled receptor, here CCR5. We also observed that the CCR5 populations selected by the gp120 variants have specific intermolecular interaction patterns. In order to exploit these patterns for the identification by virtual screening of small molecules mimicking a given variant of gp120, we have developed a docking score method, named LID, which is able to take into account as a reference for the selection of poses the multiple structures issued by the simulations by molecular dynamics.

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