Search results for "Simulation."
showing 10 items of 4779 documents
Hybrid WENO schemes for polydisperse sedimentation models
2015
International audience; Polydisperse sedimentation models can be described by a strongly coupled system of conservation laws for the concentration of each species of solids. Typical solutions for the sedimentation model considered for batch settling in a column include stationary kinematic shocks separating layers of sediment of different composition. This phenomenon, known as segregation of species, is a specially demanding task for numerical simulation due to the need of accurate numerical simulations. Very high-order accurate solutions can be constructed by incorporating characteristic information, available due to the hyperbolicity analysis made in Donat and Mulet [A secular equation fo…
Simulations of Glassforming Network Fluids: Classical Molecular Dynamics versus Car-Parrinello Molecular Dynamics
2010
Abstract Static and dynamic Properties of molten germanium dioxide are studied by two simulation methods, classical Molecular Dynamics (MD) using the Oeffner-Elliott (OE) potential, and “ab initio” Car-Parrinello Molecular Dynamics (CPMD). While CPMD provides a (presumably) more accurate description of the local structure and the forces, it severely suffers from finite size effects when the structure beyond the first neighbor shells is considered. For glassforming fluids, the demanding equilibrium needs are a further reason, why simply MD is still preferable, when a “good” effective potential is available.
Benefits of a dance group intervention on institutionalized elder people: A Bayesian network approach
2018
[EN] The present study aims to explore the effects of an adapted classical dance intervention on the psychological and functional status of institutionalized elder people using a Bayesian network. All participants were assessed at baseline and after the 9 weeks period of the intervention. Measures included balance and gait, psychological well-being, depression, and emotional distress. According to the Bayesian network obtained, the dance intervention increased the likelihood of presenting better psychological well-being, balance, and gait. Besides, it also decreased the probabilities of presenting emotional distress and depression. These findings demonstrate that dancing has functional and …
Continuous Glucose Monitoring in Type 1 Diabetes
2016
Background: Continuous glucose monitoring (CGM) patient systems have been shown to improve diabetes self-treatment when used consistently. The meaningful integration of this technology into everyday life, however, can vary greatly among CGM users and not all people with diabetes use CGM to its full potential. To address this issue, the study pursued 2 aims: first, to identify patient characteristics that underlie the acceptance of CGM in people with type 1 diabetes and, second, to examine the effects of different levels of experience with CGM use. Methods: Guided by a model based on the technology acceptance model (TAM), structural equation modeling (SEM) was employed to model the patient c…
Mathematical modeling of fetal limb growth
1989
Using ultrasound measurements of the femur, tibia, humerus, radius (N = 515), and fibula and ulna (N = 385) from normal fetuses between 12 and 40 completed weeks of gestation, growth models were determined for each bone by computer analysis. On the basis of residual analysis, growth of fetal limb bones could best be expressed as a function of tangens hyperbolicus. Growth profiles and growth data are shown with 5th, 10th, 50th, 90th, and 95th percentiles. These results are compared with previous investigations of limb bone measurements.
Exact simulation of first exit times for one-dimensional diffusion processes
2019
International audience; The simulation of exit times for diffusion processes is a challenging task since it concerns many applications in different fields like mathematical finance, neuroscience, reliability horizontal ellipsis The usual procedure is to use discretization schemes which unfortunately introduce some error in the target distribution. Our aim is to present a new algorithm which simulates exactly the exit time for one-dimensional diffusions. This acceptance-rejection algorithm requires to simulate exactly the exit time of the Brownian motion on one side and the Brownian position at a given time, constrained not to have exit before, on the other side. Crucial tools in this study …
Space and Light, Towards an Interactive Simulation of Lighting
2003
International audience; Une image est une vue, à un instant donné, de l'équilibre lumineux présent dans une scène. Cet équilibre résulte d'un système complexe où l'énergie provenant des sources est re-distribuée dans l'espace par les matériaux appliqués aux formes. Si cet équilibre est perturbé par une modification des conditions lumineuses, l'image précédente n'est plus valide. En cela elle ne représente qu'un instant d'un lieu et non le lieu lui même. Nous proposons ici une approche pour la simulation interactive de l'éclairage dans une scène complexe. Une application à cette étude étant la production d'images vivantes et confondantes dans le cadre de la réalité augmentée.
The inhibition of glycerol permeation through aquaglyceroporin-3 induced by mercury(II)
2016
Mercurial compounds are known to inhibit water permeation through aquaporins (AQPs). Although in the last years some hypotheses were proposed, the exact mechanism of inhibition is still an open question and even less is known about the inhibition of the glycerol permeation through aquaglyceroporins. Molecular dynamics (MD) simulations of human aquaporin-3 (AQP3) have been performed up to 200 ns in the presence of Hg2+ ions. For the first time, we have observed the unbiased passage of a glycerol molecule from the extracellular to cytosolic side. Moreover, the presence of Hg2+ ions covalently bound to Cys40 leads to a collapse of the aromatic/arginine selectivity filter (ar/R SF), blocking th…
Design, Synthesis and Biological Evaluation of 7-Chloro-9
2019
Glycogen synthase kinase-3β (GSK-3β) represents a relevant drug target for the treatment of neurodegenerative pathologies including Alzheimer’s disease. We herein report on the optimization of a novel class of GSK-3β inhibitors based on the tofacitinib-derived screen hit 3-((3R,4R)-3-((7-chloro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile (1). We synthesized a series of 19 novel 7-chloro-9H-pyrimido[4,5-b]indole-based derivatives and studied their structure–activity relationships with focus on the cyanoacetyl piperidine moiety. We unveiled the crucial role of the nitrile group and its importance for the activity of this compound series. A successfu…
Modeling of the process of moisture loss during the storage of dried apricots
2011
[EN] Moisture content is a reference parameter for dried food because the growth of most microorganisms is inhibited below certain water activity levels. In addition, it has a determining influence on the evolution of important parameters, such as color and flavor, and on other properties and deterioration reactions, such as texture, oxidation processes and nutritional value. During the storage of some dried fruits, moisture is produced due to Maillard reactions and exchanged with the surrounding environment through the packaging. The evolution of dried foods during their shelf life depends on the storage conditions. The aim of this study is to analyze the evolution of the moisture content …