Journal of Gender Equality Disability Social Inclusion and Children
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Predicting hydrophobic alkyl-alkyl and perfluoroalkyl-perfluoroalkyl van der Waals dispersion interactions and their potential involvement in protein folding and the binding of drugs in hydrophobic pockets
No full textIt has been shown that a model compound which has previously allowed the experimental determination of the hydrophobic van der Waals dispersion alkyl-alkyl folding free energy interaction in a wide range of polar and non-polar solvents is strongly correlated with the cavitation, dispersion, solvent-structure (CDS) solvation free energy and to a lesser extent the molecular polarizability of the foldamers. The predicted folding alkyl-alkyl free energy interaction in water calculated from the unfolded and folded foldamers by dispersion corrected quantum mechanical modeling is in agreement with the calculated values derived from solution experiments. Electrostatic potential surfaces in solution can differentiate amongst foldamers. The solute-solvent dispersion interaction overrides the solvent free intramolecular alkyl-alkyl dispersion interaction, but the latter may still be a significant effect deep within the hydrophobic interior of a folded protein. The analogous perfluoroalkyl-perfluoroalkyl foldamer interaction shows different behavior in water compared to n-hexane where the unfolded state is more stable in water but the folded state is more stable in n-hexane. The use of the SMD solvent model using water and non-polar solvents to examine protein folding processes may have advantages over more intensive explicit solvation studies. Abbreviations Total free energy of water solvation ΔG Sol , SMD cavity dispersion solvent structure of the first solvation shell CDS, free energy CDS ΔG CDS, isotropic polarizability Pol, electrostatic potential surfaces EPS, solute-solvent interaction: ΔG Dis dispersion, ΔG Cav cavity and ΔG Rep repulsive free energies, free energy of dispersion interaction in solvent ΔG Interact, sol, multiple correlation coefficient R 2 , the F test of significance, standards errors for the estimate (SEE) and standard errors of the variables ΔG CDS SE(ΔG CDS), molecular polarizability SE(ΔG Pol
Préhistoire ancienne de la vallée d’Ossau : paléoenvironnement et sociétés de chasseurs-collecteurs dans le piémont pyrénéen: Projet collectif de recherche, bilan 2019, première année de triennale
No full textExperimental Results for a Magnetic Monopole Field Indicating a Violation of Lorentz Invariance
No full textThis paper presents the results of a new experimental test of Special Relativity. We performed a series of multi-year tests using a rotating coil magnetometer adjacent to an aluminum sphere charged to 27 kV. We first measured a background (Earth) magnetic field (from an emf voltage induced in the coil) while the sphere was uncharged, and then again after charging the sphere. We observed small but reproducible emf voltage differences in the rotating coil following each charging of the sphere. Extensive testing shows these emf differences are explained by an unexpected small monopole magnetic field associated with the charged sphere. This testing shows why this weak magnetic field (requiring a strong electrical field for detection) has not been identified in the past. Most significantly, the magnitude of this magnetic field reproducibly varies with the position of the earth in its solar orbit. Repeated measurements over a three-year period show a well-defined, consistent annual sinusoidal amplitude variation of 6.2 percent in magnetic field magnitudes of the charged sphere over the Earth's orbit around the sun (maximums on August 9 and minimums on February 10, 2 days, from separate sinusoidal fits for each of the three years). Such a frame-associated variation in magnetic field magnitudes in otherwise locally identical tests over the Earth's orbit seemingly indicates a departure from Lorentz Invariance. The 6.2 percent annual field variation empirically corresponds well to the fractional variation of the speed of the orbiting Earth relative to a specific astrophysical rest frame (RF) in relative motion, where the speed of that frame relative to the sun can be bounded between 2 and 464 km/sec. This range in speed includes the 371 km/sec speed of the sun with respect to the CMB frame. This suggests that the CMB frame and above RF may share related origins in an expanding universe
Nouvelles découvertes sur la Maison romane de Nîmes (Occitanie, Nîmes, Gard, 1 rue de la Madeleine): Archaeological diagnostic report
No full textThe building located on number 1 of rue de la Madeleine in Nîmes was formed in several stages between the Middle Ages and the present time. Its main outer wall is well known for its figurative sculpted decoration and justifies the name given locally to the whole building : the Romanesque house. Now divided into several apartments, the house is under restoration and rehabilitation, which laid to partial demolitions and archaeological observations in early 2019. These have been focused on understanding the evolution of the architecture from the original home to the present, favouring the oldest phases. The first house is a single building with two levels, occupied by two shops on the ground floor, framing a gate and a passage to the back yard, and two large rooms on the upper floor. One is probably of apparat, the other of work or dwelling. The whole is built in stone and largely decorated on its street side. Access to the shops was through large picture windows of the right lintel type, while the upper floor was accessed from the courtyard, by a staircase that had disappeared. The first floor was lit by four twin window ; three of which are partially preserved in place. The ensemble is romanesque and can be dated between the second half of the 12th century to the beginning of the 13th century. In the 13th or 14th century, a second foor is added. In the 15th century, while a third floor is built, the medieval external staircase is replaced by a spiral staircase, in a corner of the courtyard. There, a new building is erected, at right angles with the oldest. In the 19th century, and obviously under the control or influence of Henryy Revoil, architect of the Monuments Historiques, six large windows were inserted in the main wall, breaking the ordinance of the anterior twin windows. On this occasion, the ornaments are redistributed as they are today. At the same time, the internal distribution of the rooms is modified on each floor to transform the whole into an investment propertyL'immeuble qui occupe le numéro 1 de la rue de la Madeleine à Nîmes s'est formé en plusieurs étapes entre le Moyen Âge et l'époque contemporaine. Sa façade principale, sur rue, est bien connue pour ses décors sculptés figuratifs et justifie le nom donné localement à l'ensemble : la maison romane. Aujourd'hui divisé en plusieurs appartements, l'immeuble fait l'objet d'une restauration et d'une réhabilitation qui ont donné lieu, début 2019, à des décroûtages partiels des murs et à des observations archéologiques. Celles-ci ont été axées sur la compréhension de l'évolution du bâti, depuis la demeure initiale jusqu'à nos jours, en privilégiant les phases les plus anciennes. La première construction est une vaste maison en un seul corps de bâti, à deux niveaux, occupés par deux magasins au-rez-de-chaussée, encadrant une porte cochère et un passage vers la cour arrière, et deux grandes salles à l'étage. L'une est probablement d'apparat, l'autre de travail ou d'habitation. L'ensemble est construit en pierre de taille et largement ouvragé côté rue. L'accès aux magasins se faisait par des grandes baies de type vitrine à linteau droit, tandis que l'on accédait à l'étage depuis la cour, par un escalier et un perron aujourd'hui disparus. Le premier étage était éclairé par quatre fenêtres géminées dont trois sont en partie conservées en place. L'ensemble est de style roman et peut être daté de la seconde moitié du XIIe siècle ou du début du XIIIe. Cette maison connaît ensuite, aux XIIIe ou XIVe siècle, une surélévation formant un deuxième étage, puis au XVe , l'ajout d'un troisième étage et le remplacement de l'escalier externe médiéval par un escalier en vis dans l'angle de la cour. Au siècle suivant, un quatrième étage prend place, une loggia est installée à chaque étage, côté cour, les planchers sont refaits et l'escalier en vis reconstruit tandis que dans la cour un nouveau corps de bâtiment est ajouté, en retour de l'immeuble médiéval. À l'époque contemporaine, au XIXe siècle et manifestement sous le contrôle ou l'influence de l'architecte des Monuments Historiques Henry Revoil, six grandes fenêtres sont insérées dans la façade sur rue, rompant l'ordonnance des baies géminées antérieures. À cette occasion, on en redistribue les ornements en les répartissant comme ils se trouvent aujourd'hui. Parallèlement, la distribution interne est modifiée à chaque étage, pour transformer l'ensemble en immeuble de rapport
Un Monde de régions ? Echanges et croisements disciplinaires sur l’intégration régionale dans le monde: Compte-rendu interdisciplinaire
No full textUniversité Paris Diderot. Colloque organisé par l’Université Panthéon Sorbonne (Paris I), les 21 et 22 mars 201
The Hoare-fol Tool
No full textThis document presents the tool named "Application of Hoare Logic and Dijkstra's Weakest Proposition Calculus to Biological Regulatory Networks Using Path Programs with Branching First-Order Logic Operators" or Hoare-fol for short. This tool consists in an implementation of the theoretical work developed in [Bernot et al., 2019] and contains the following features: (1) computation of the weakest precondition of a Hoare triple, (2) simplification of this weakest precondition using De Morgan laws and partial knowledge on the initial state, and (3) translation into Answer Set Programming to allow a solving of all compatible solutions
Community Involvement in the WFIRST Exoplanet Microlensing Survey
No full textWFIRST is NASA's first flagship mission with predefined core core science programs. We present a set of high level data products that will enable broad participation in the science of the exoplanet microlensing survey and a community science team concept that will allow broad community involvement in the survey development and scientific output
A surgical Cockpit for Minimally Invasive Surgery: Hamlyn Symposium 2019 - Surgical Robot Challenge Finalists
No full textA hierarchical fast direct solver for distributed memory machines with manycore nodes
No full textCompression techniques have revolutionized the Boundary Element Method used to solve the Maxwell equations in frequency domain. In spite of the several orders of magnitude gained in terms of computational cost, and resource consumption, their implementation in a direct solver remains challenging, especially on distributed memory machines. We present the design of an efficient and scalable hierarchical fast direct solver capable of factorizing H-matrices on large scale machines with manycore nodes. This task-based solver relies on a flexible execution model which features an extension of the sequential task flow (STF) paradigm, enabling seamless expression of complex dependencies between hierarchical data over distributed memory machines. We demonstrate its efficiency and its scalability by solving large scale problems over hundred of manycore nodes, and for example factorize a H-matrix with 4.4 million unknowns compressed at 99% in less than 40 minutes with about 70% of parallel efficiency over 24,320 cores