Search results for "Simulation"
showing 10 items of 5095 documents
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 …
Biomechanical analysis of anticipation of elite and inexperienced goalkeepers to distance shots in handball
2012
AbstractThe objective of this study was to evaluate the anticipation time and kinematic factors in the movement ofgoalkeepers’ center of mass when making a long-distance throw in handball. The sample group was composed of 14goalkeepers and field players. A force platform was used to measure the force of the goalkeepers’ reaction movements, whilethe throwers’ movements were recorded with high-speed cameras. The expert goalkeepers began to move 193 ± 67 ms beforethe ball was released, with a 67% success rate of interception. The inexperienced goalkeepers began their movement 209 ±127 ms with a 24% success rate. The time taken by expert goalkeepers to begin a vertical movement of their CM, rel…
Adsorption of the herbicide 4-chloro-2-methylphenoxyacetic acid (MCPA) by goethite.
2014
Interaction between the goethite surface and 4-chloro-2-methylphenoxyacetic acid (MCPA) herbicide was studied using density functional theory (DFT) calculations combined with molecular dynamics (MD). The important step made here lies in the use of a periodic DFT method enabling the study of a mineral surface of different protonation states, in strong contrast with previous molecular modeling studies limited to single protonation state corresponding to the point of zero charge. Different surface OH groups and MCPA proton states were used to mimic the strong effects of pH on the outer- and inner-sphere surface complexes that are theoretically possible, together with their binding energies, an…
The influence of the mean stress on fatigue life of 10HNAP steel under random loading
2001
Abstract This paper contains the results of uniaxial random load fatigue tests with different mean values performed on 10HNAP steel specimens. The experimental fatigue life was compared with the life determined according to different methods of amplitude transformation of the cycles. Cycles were counted with the rain flow algorithm and damage was cumulated with the Palmgren–Miner hypothesis. It has been shown that in the case of “symmetric” stress histories with zero expected values, the mean values of selected cycles do not strongly influence the calculated fatigue life and transformation of the cycle amplitudes; hence, no mean stress correction for cycle mean values different from zero is…
SIMULATING DEMOGRAPHY AND HUMAN DEVELOPMENT DYNAMICS
2014
[EN] A deterministic/stochastic model in which the demographic and the well-being subsystems of a country are involved and related is presented as a way to approach human development. The demographic subsystem is a side-by-side, single-gender, age-structured population dynamic model. The well-being subsystem states the dynamics of the United Nations Hybrid Human Development Index. The model has been validated in the case of Spain and Belgium. Some simulations have been performed with the model for the case of Spain in the 2009-2020 period to determine strategies and scenarios that could increase the life expectancy at birth per gender. Copyright © 2014 Taylor & Francis Group, LLC.
Simulation models in eGovernment using system dynamics: A literature survey
2016
System Dynamics (SD) is a method to build simulation models using computers, to study the behaviour of systems, and apply what-if scenarios aiming at achieving optimal policy design. To have an overview of the current state-of-the-art of SD use in the eGovernment field; we have surveyed related literature. Our main goal is to uncover the possibilities for future research by clarifying the shortages. The identified literature is not very large. In most of the literature, SD models use was limited to SD practitioners. We discovered low usage of Group Model Building and workshops despite their usefulness in involving non-SD practitioners in the model building process. Additionally, there is a …
The Rise and Fall of Humanitarian Citizen Initiatives: A Simulation-Based Approach
2020
Citizen Initiatives for Global Solidarity (CIGS) are small, ad hoc, volunteer organizations that arise in certain humanitarian and development contexts. They operate outside of traditional aid structures and may or may not cooperate with traditional government and nongovernmental organizations. Using agent-based modeling, we derive narrative-based, qualitative scenarios from simulation data to extend the theoretical discussions of CIGS as a phenomenon. The scenarios allow further discussion of the role that CIGS may play as development and humanitarian response actors outside of the traditional context-specific descriptions of CIGS that permeate the development literature. We find that scen…