Search results for "Computer simulation"
showing 10 items of 1054 documents
Functional connectivity inference from fMRI data using multivariate information measures
2022
Abstract Shannon’s entropy or an extension of Shannon’s entropy can be used to quantify information transmission between or among variables. Mutual information is the pair-wise information that captures nonlinear relationships between variables. It is more robust than linear correlation methods. Beyond mutual information, two generalizations are defined for multivariate distributions: interaction information or co-information and total correlation or multi-mutual information. In comparison to mutual information, interaction information and total correlation are underutilized and poorly studied in applied neuroscience research. Quantifying information flow between brain regions is not explic…
Influence of the scalp thickness on the intracranial contribution to rheoencephalography
2004
In spite of the great efforts made by the scientific community, up to now there is no agreement about the rheoencephalography (REG) capability to reflect cerebral blood flow (CBF). Moreover, a standard procedure and the optimal electrode arrangement have not been established yet. In a previous study, we found, using a classical four-shell spherical model of the head and solving it by numerical methods that, theoretically, there could exist an electrode arrangement to register an REG II free of extracranial contribution. In this paper, we have studied the influence of scalp thickness on the intracranial contribution to REG II. The study has been performed by solving the head model, using in …
Evidence for long-lived, optically generated quenchers of excitons in single-walled carbon nanotubes.
2011
The nonlinear dependence of near-infrared photoluminescence (PL) emission on excitation intensity has been measured for individual nanotubes representing six different (n,m) species. Significant deviations from linearity are observed for intensities as low as ~100 W/cm(2), and an approximate inverse correlation is found between nonlinearity and PL action cross section (brightness). A model in which all PL nonlinearity arises from exciton-exciton annihilation is insufficient to account for the experimental data using realistic parameters. It is proposed that additional nonlinear quenching arises from photoinduced quenching states or species with longer lifetimes than emissive excitons. Evide…
Human T cells in silico: Modelling their electrophysiological behaviour in health and disease
2016
Although various types of ion channels are known to have an impact on human T cell effector functions, their exact mechanisms of influence are still poorly understood. The patch clamp technique is a well-established method for the investigation of ion channels in neurons and T cells. However, small cell sizes and limited selectivity of pharmacological blockers restrict the value of this experimental approach. Building a realistic T cell computer model therefore can help to overcome these kinds of limitations as well as reduce the overall experimental effort. The computer model introduced here was fed off ion channel parameters from literature and new experimental data. It is capable of simu…
Mutant MHC class II epitopes drive therapeutic immune responses to cancer
2015
Tumour-specific mutations are ideal targets for cancer immunotherapy as they lack expression in healthy tissues and can potentially be recognized as neo-antigens by the mature T-cell repertoire. Their systematic targeting by vaccine approaches, however, has been hampered by the fact that every patient's tumour possesses a unique set of mutations ('the mutanome') that must first be identified. Recently, we proposed a personalized immunotherapy approach to target the full spectrum of a patient's individual tumour-specific mutations. Here we show in three independent murine tumour models that a considerable fraction of non-synonymous cancer mutations is immunogenic and that, unexpectedly, the …
Reliability of numerical models for simulating galvanic corrosion processes
2012
International audience; Maturity of numerical simulation represents an important issue in the development of predictive models of galvanic corrosion. As widely used in electrochemical engineering, a coupled electrochemical-transport-reaction (CETR) model is recommended to simulate the current distribution above a galvanic corrosion cell made of the cut-edge of a galvanized steel sheet. Nevertheless, simulating current density distributions obtained experimentally by scanning vibrating electrode technique (SVET) above such a galvanic cell appears to be more accurate using an electrostatic model considering a homogeneous conductivity. In this case, the absence of concentration gradients next …
Optimization of the characteristic angles of both front and rear McPherson suspensions on a circular track using multi-body numerical simulation
2009
The research reported in this paper aims to simulate the road-holding of a virtual vehicle using multi-body simulation to estimate both the contact forces between the tyre and ground and the roll motion when cornering. Furthermore, the effect of the characteristic angles on the variation in the forces of the tyre in contact with the ground is studied to determine optimal values for these angles. Emphasis is placed on an average-class vehicle, of which both the external dimensions and mass are chosen appropriately, with a McPherson suspension mounted on both the front and the rear. The characteristic values of the camber and toe-in angles, in both the front and the rear, are optimized for m…
Simulation studies of gas-liquid transitions in two dimensions via a subsystem-block-density distribution analysis
1993
The finite-size scaling analysis of the density distribution function of subsystems of a system studied at constant total density is studied by a comparative investigation of two models: (i) the nearest-neighbor lattice gas model on the square lattice, choosing a total lattice size of 64×64 sites. (ii) The two-dimensional off-lattice Lennard-Jones system (truncated at a distance of 2.5 σ, σ being the range parameter of the interaction) withN=4096 particles, applying the NVT ensemble. In both models, the density distribution functionPL(ρ) is obtained forL×L subsystems for a wide range of temperaturesT, subblock linear dimensionsL and average densities . Particular attention is paid to the qu…
Scanning force microscopy based rapid force curve acquisition on supported lipid bilayers: experiments and simulations using pulsed force mode.
2004
In situ pulsed force mode scanning force microscopy (PFM-SFM) images of phase separated solid-supported lipid bilayers are discussed with the help of computer simulations. Simultaneous imaging of material properties and topography in a liquid environment by means of PFM-SFM is severely hampered by hydrodynamic damping of the cantilever. Stiffness and adhesion images of solid-supported membranes consisting of cholesterol, sphingomyelin, and 1,2-dioleyl-phosphatidylcholine obtained in aqueous solution exhibit contrast inversion of adhesion and stiff. ness images depending on parameters such as driving frequency, amplitude, and trigger setting. Simulations using a simple harmonic oscillator mo…
QM/MM Determination of Kinetic Isotope Effects for COMT-Catalyzed Methyl Transfer Does Not Support Compression Hypothesis
2004
Secondary alpha-D3 kinetic isotope effects calculated by the hybrid AM1/TIP3P/CHARMM method for the reaction of S-adenosylmethionine with catecholate anion in aqueous solution and catalyzed by rat liver catechol O-methyltransferase at 298 K are 0.94 and 0.85, respectively, in good accord with experiment. The large inverse effect for the enzymatic reaction is not due to compression but arises from significant increases in the stretching and bending force constants involving the isotopically substituted atoms of the transferring methyl group as between the reactant complex and the transition structure, larger than for the reaction in water.