Search results for " Simulation"
showing 10 items of 4034 documents
COMPARATIVE ASSESSMENT OF SEVERAL MULTI-CRITERIA DECISION ANALYSIS TOOLS FOR MANAGEMENT OF CONTAMINATED SEDIMENTS
2007
Over the past several decades, environmental decision-making strategies have evolved into increasingly more sophisticated, information-intensive, and complexapproaches including expert judgment, cost-benefit analysis, toxicological risk assessment, comparative risk assessment, and a number of methods forincorporating public and stakeholder values. This evolution has led to an improved array of decision-making aids, including the development of Multi-CriteriaDecision Analysis (MCDA) tools that offer a scientifically sound decision analytical framework. The existence of different MCDA methods and the availability of corresponding software contribute to the possibility of practical implementat…
New potent antibacterials against Gram-positive multiresistant pathogens: effects of side chain modification and chirality in linezolid-like 1,2,4-ox…
2014
The effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles have been studied to design new potent antibacterials against Gram-positive multidrug-resistant pathogens. The adopted strategy involved a molecular modelling approach, the synthesis and biological evaluation of new designed compounds, enantiomers separation and absolute configuration assignment. Experimental determination of the antibacterial activity of the designed (S)-1-((3-(4-(3-methyl-1,2,4-oxadiazol-5- yl)phenyl)-oxazolidin-2-one-5-yl)methyl)-3-methylthiourea and (S)-1-((3-(3-fluoro-4-(3-methyl-1,2,4- oxadiazol-5-yl)phenyl)-oxazolidin-2-one-5-yl)methyl)-3-methylthiourea against multidrug resistan…
A Distributed Framework for Scalable Large-Scale Crowd Simulation
2007
Emerging applications in the area of Emergency Response and Disaster Management are increasingly demanding interactive capabilities to allow for the quick understanding of a critical situation, in particular in urban environments. A key component of these interactive simulations is how to recreate the behavior of a crowd in real- time while supporting individual behaviors. Crowds can often be unpredictable and present mixed behaviors such as panic or aggression, that can very rapidly change based on unexpected new elements introduced into the environment. We present preliminary research specifically oriented towards the simulation of large crowds for emergency response and rescue planning s…
Demyelination patterns in a mathematical model of multiple sclerosis.
2016
In this paper we derive a reaction-diffusion-chemotaxis model for the dynamics of multiple sclerosis. We focus on the early inflammatory phase of the disease characterized by activated local microglia, with the recruitment of a systemically activated immune response, and by oligodendrocyte apoptosis. The model consists of three equations describing the evolution of macrophages, cytokine and apoptotic oligodendrocytes. The main driving mechanism is the chemotactic motion of macrophages in response to a chemical gradient provided by the cytokines. Our model generalizes the system proposed by Calvez and Khonsari (Math Comput Model 47(7–8):726–742, 2008) and Khonsari and Calvez (PLos ONE 2(1):e…
The crystal structure of a 250-kDa heterotetrameric particle explains inhibition of sheddase meprin β by endogenous fetuin-B
2021
Meprin β (Mβ) is a multidomain type-I membrane metallopeptidase that sheds membrane-anchored substrates, releasing their soluble forms. Fetuin-B (FB) is its only known endogenous protein inhibitor. Herein, we analyzed the interaction between the ectodomain of Mβ (MβΔC) and FB, which stabilizes the enzyme and inhibits it with subnanomolar affinity. The MβΔC:FB crystal structure reveals a ∼250-kDa, ∼160-Å polyglycosylated heterotetrameric particle with a remarkable glycan structure. Two FB moieties insert like wedges through a “CPDCP trunk” and two hairpins into the respective peptidase catalytic domains, blocking the catalytic zinc ions through an “aspartate switch” mechanism. Uniquely, the …
Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations
2020
The structure and interactions of proteins play a critical role in determining the quality attributes of many foods, beverages, and pharmaceutical products. Incorporating a multiscale understanding of the structure–function relationships of proteins can provide greater insight into, and control of, the relevant processes at play. Combining data from experimental measurements, human sensory panels, and computer simulations through machine learning allows the construction of statistical models relating nanoscale properties of proteins to the physicochemical properties, physiological outcomes, and tastes of foods. This review highlights several examples of advanced computer simulations at mol…
Poisson convergence on continuous time branching random walks and multistage carcinogenesis.
1982
A theorem for Poisson convergence on realizations of two-dimensional Branching Random Walks with an underlying continuous time Markov Branching Process is proved. This result can be used to gain an approximation for the number of cells having sustained a certain deficiency after a long time in multistage carcinogenesis.
Uncertainty evaluation of design rainfall for urban flood risk analysis
2011
A reliable and long dataset describing urban flood locations, volumes and depths would be an ideal prerequisite for assessing flood frequency distributions. However, data are often piecemeal and long-term hydraulic modelling is often adopted to estimate floods from historical rainfall series. Long-term modelling approaches are time- and resource-consuming, and synthetically designed rainfalls are often used to estimate flood frequencies. The present paper aimsto assess the uncertainty of such an approach and for suggesting improvements in thedefinition of synthetic rainfall data for flooding frequency analysis. According to this aim, a multivariate statistical analysis based on a copulameth…
New cut-off criterion for uninformative variable elimination in multivariate calibration of near-infrared spectra for the determination of heroin in …
2008
A new cut-off criterion has been proposed for the selection of uninformative variables prior to chemometric partial least squares (PLS) modelling. After variable elimination, PLS regressions were made and assessed comparing the results with those obtained by PLS models based on the full spectral range. To assess the prediction capabilities, uninformative variable elimination (UVE)-PLS and PLS were applied to diffuse reflectance near-infrared spectra of heroin samples. The application of the proposed new cut-off criterion, based on the t-Students distribution, provided similar predictive capabilities of the PLS models than those obtained using the original criteria based on quantile value. H…
MuTE: a MATLAB toolbox to compare established and novel estimators of the multivariate transfer entropy.
2014
A challenge for physiologists and neuroscientists is to map information transfer between components of the systems that they study at different scales, in order to derive important knowledge on structure and function from the analysis of the recorded dynamics. The components of physiological networks often interact in a nonlinear way and through mechanisms which are in general not completely known. It is then safer that the method of choice for analyzing these interactions does not rely on any model or assumption on the nature of the data and their interactions. Transfer entropy has emerged as a powerful tool to quantify directed dynamical interactions. In this paper we compare different ap…