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2012 Articolo in rivista open access

Gamma-Convergence Analysis of Systems of Edge Dislocations: The Self Energy Regime

de Luca L ; Garroni A ; Ponsiglione M

This paper deals with the elastic energy induced by systems of straight edge dislocations in the framework of linearized plane elasticity. The dislocations are introduced as point topological defects of the displacement-gradient fields. Following the core radius approach, we introduce a parameter ? > 0 representing the lattice spacing of the crystal, we remove a disc of radius ? around each dislocation and compute the elastic energy stored outside the union of such discs, namely outside the core region. Then, we analyze the asymptotic behaviour of the elastic energy as ? -> 0, in terms of ?-convergence. We focus on the self energy regime of order log 1/?; we show that configurations with logarithmic diverging energy converge, up to a subsequence, to a finite number of multiple dislocations and we compute the corresponding ?-limit. © 2012 Springer-Verlag.

edge dislocations gamma-convergence
2012 Articolo in rivista metadata only access

An S-System Parameter Estimation Method (SPEM) for Biological Networks

Yang Xinyi ; Dent Jennifer E ; Nardini Christine

Advances in experimental biology, coupled with advances in computational power, bring new challenges to the interdisciplinary field of computational biology. One such broad challenge lies in the reverse engineering of gene networks, and goes from determining the structure of static networks, to reconstructing the dynamics of interactions from time series data. Here, we focus our attention on the latter area, and in particular, on parameterizing a dynamic network of oriented interactions between genes. By basing the parameterizing approach on a known power-law relationship model between connected genes (S-system), we are able to account for non-linearity in the network, without compromising the ability to analyze network characteristics. In this article, we introduce the S-System Parameter Estimation Method (SPEM). SPEM, a freely available R software package (http://www.picb.ac.cn/ClinicalGenomicNTW/temp3.html), takes gene expression data in time series and returns the network of interactions as a set of differential equations. The methods, which are presented and tested here, are shown to provide accurate results not only on synthetic data, but more importantly on real and therefore noisy by nature, biological data. In summary, SPEM shows high sensitivity and positive predicted values, as well as free availability and expansibility (because based on open source software). We expect these characteristics to make it a useful and broadly applicable software in the challenging reconstruction of dynamic gene networks.

algorithms biochemical networks computational molecular biology gene networks graphs and networks statistics
2012 Articolo in rivista metadata only access

Brain cancer prognosis: Independent validation of a clinical bioinformatics approach

Fronza Raffaele ; Tramonti Michele ; Atchley William R ; Nardini Christine

Translational and evidence based medicine can take advantage of biotechnology advances that offer a fast growing variety of high-throughput data for screening molecular activities of genomic, transcriptional, post-transcriptional and translational observations. The clinical information hidden in these data can be clarified with clinical bioinformatics approaches. We have recently proposed a method to analyze different layers of high-throughput (omic) data to preserve the emergent properties that appear in the cellular system when all molecular levels are interacting. We show here that this method applied to brain cancer data can uncover properties (i.e. molecules related to protective versus risky features in different types of brain cancers) that have been independently validated as survival markers, with potential important application in clinical practice. © 2012 Fronza et al.; licensee BioMed Central Ltd.

Emergent property Glioblastoma High-throughput biology Survival System
2012 Articolo in rivista metadata only access

On the complexity of path problems in properly colored directed graphs

Granata D ; Behdani B ; Pardalos PM

We address the complexity class of several problems related to finding a path in a properly colored directed graph. A properly colored graph is defined as a graph G whose vertex set is partitioned into X(G) stable subsets, where X(G) denotes the chromatic number of G. We show that to find a simple path that meets all the colors in a properly colored directed graph is NP-complete, and so are the problems of finding a shortest and longest of such paths between two specific nodes. © Springer Science+Business Media, LLC 2011.

Graph coloring · Complexity · Chromatic number · Longest path · Shortest path
2011 Articolo in rivista restricted access

Bistable defect structures in blue phase devices

Tiribocchi A ; Gonnella G ; Marenduzzo D ; Orlandini E ; Salvadore F

Blue phases are liquid crystals made up by networks of defects, or disclination lines. While existing phase diagrams show a striking variety of competing metastable topologies for these networks, very little is known as to how to kinetically reach a target structure, or how to switch from one to the other, which is of paramount importance for devices. We theoretically identify two confined blue phase I systems in which by applying an appropriate series of electric field it is possible to select one of two bistable defect patterns. Our results may be used to realize new generation and fast switching energy-saving bistable devices in ultrathin surface treated blue phase I wafers.

Blue phase liquid crystals Bistable devices Lattice Boltzmann simulations
2011 Articolo in rivista restricted access

Switching dynamics in cholesteric blue phases

Tiribocchi A ; Gonnella G ; Marenduzzo D ; Orlandini E

Blue phases are networks of disclination lines, which occur in cholesteric liquid crystals near the transition to the isotropic phase. They have recently been used for the new generation of fast switching liquid crystal displays. Here we study numerically the steady states and switching hydrodynamics of blue phase I (BPI) and blue phase II (BPII) cells subjected to an electric field. When the field is on, there are three regimes: for very weak fields (and strong anchoring at the boundaries) the blue phases are almost unaffected, for intermediate fields the disclinations twist (for BPI) and unzip (for BPII), whereas for very large voltages the network dissolves in the bulk of the cell. Interestingly, we find that a BPII cell can recover its original structure when the field is switched off, whereas a BPI cell is found to be trapped more easily into metastable configurations. The kinetic pathways followed during switching on and off entails dramatic reorganisation of the discli nation networks. We also discuss the effect of changing the director field anchoring at the boundary planes and of varying the direction of the applied field.

Blue phase liquid crystals Lattice Boltzmann simulations
2011 Contributo in Atti di convegno open access

Exact and metaheuristic approaches to extend lifetime and maintain connectivity in wireless sensors networks

Raiconi Andrea ; Gentili Monica

Wireless sensor networks involve a large area of real-world contexts, such as national security, military and environmental control applications, traffic monitoring, among others. These applications generally consider the use of a large number of low-cost sensing devices to monitor the activities occurring in a certain set of target locations. One of the most important issue that is considered in this context is maximizing network lifetime, that is the amount of time in which this monitoring activity can be performed by opportunely switching the sensors from active to sleep mode. Indeed, the lifetime of the network can be maximized by individuating subset of sensors (i.e., covers) and switching among them. Two important aspects need to be taken into account among others: (i) coverage: each determined cover has to cover the entire set of targets, and (ii) connectivity: each cover should provide satisfactory network connectivity so that sensors can communicate for data gathering or data fusion (connected covers). In this paper we consider the problem of determining the maximum network lifetime to monitor all the targets by means of connected covers. We analyze the problem and propose an exact approach based on column generation and two heuristic approaches, namely a greedy algorithm and a GRASP algorithm, to solve it. We analyze the performance of the heuristic approaches by comparing the obtained solutions with those provided by the exact approach when available. Our preliminary experimental results show the proposed solution algorithms to be promising in terms of tradeoff between quality of solutions and computational effort. © 2011 Springer-Verlag.

Column Generation Network Lifetime Connectivity Wireless Sensor Networks
2011 Articolo in rivista metadata only access

The rhizosphere competent entomopathogen Metarhizium anisopliae expresses a specific subset of genes in plant root exudate

PavaRipoll M ; Angelini C ; Fang W ; Wang S ; Posada F ; Leger R
2011 Articolo in rivista metadata only access

Simulations of Blood Flow in Plain Cylindrical and Constricted Vessels with Single Cell Resolution

Janoschek F ; Harting J ; Toschi f
2011 Articolo in rivista metadata only access

Exponential Lawson integration for nearly Hamiltonian systems arising in optimal control

We are concerned with the discretization of optimal control problems when a Runge-Kutta scheme is selected for the related Hamiltonian system. It is known that Lagrangian's first order conditions on the discrete model, require a symplectic partitioned Runge-Kutta scheme for state-costate equations. In the present paper this result is extended to growth models, widely used in Economics studies, where the system is described by a current Hamiltonian. We prove that a correct numerical treatment of the state-current costate system needs Lawson exponential schemes for the costate approximation. In the numerical tests a shooting strategy is employed in order to verify the accuracy, up to the fourth order, of the innovative procedure we propose.

Partitioned Runge-Kutta methods Exponential Lawson schemes Optimal growth models
2011 Articolo in rivista metadata only access

Modification of turbulence in Rayleigh-Benard convection by phase change

Schmidt LE ; Oresta P ; Toschi F ; Verzicco R ; Lohse D ; Prosperetti A

Heavy or light particles introduced into a liquid trigger motion due to their buoyancy, with the potential to drive flow to a turbulent state. In the case of vapor bubbles present in a liquid near its boiling point, thermal coupling between the liquid and vapor can moderate this additional motion by reducing temperature gradients in the liquid. Whether the destabilizing mechanical feedback or stabilizing thermal feedback will dominate the system response depends on the number of bubbles present and the properties of the phase change. Here we study thermal convection with phase change in a cylindrical Rayleigh-Benard cell to examine this competition. Using the Reynolds number of the flow as a signature of turbulence and the intensity of the flow, we show that in general the rising vapor bubbles destabilize the system and lead to higher velocities. The exception is a limited regime corresponding to phase change with a high latent heat of vaporization (corresponding to low Jakob number), where the vapor bubbles can eliminate the convective flow by smoothing temperature differences of the fluid.

2011 Articolo in rivista metadata only access

Beyond classical consensus clustering: the Least Squares approach to multiple solutions

Murino L ; Angelini C ; De Feis I ; Raiconi G ; Tagliaferri R

Clustering is one of the most important unsupervised learning problems and it consists of finding a common structure in a collection of unlabeled data. However, due to the ill-posed nature of the problem, different runs of the same clustering algorithm applied to the same data-set usually produce different solutions. In this scenario choosing a single solution is quite arbitrary. On the other hand, in many applications the problem of multiple solutions becomes intractable, hence it is often more desirable to provide a limited group of ''good'' clusterings rather than a single solution. In the present paper we propose the least squares consensus clustering. This technique allows to extrapolate a small number of different clustering solutions from an initial (large) ensemble obtained by applying any clustering algorithm to a given data-set. We also define a measure of quality and present a graphical visualization of each consensus clustering to make immediately interpretable the strength of the consensus. We have carried out several numerical experiments both on synthetic and real data-sets to illustrate the proposed methodology.

2011 Articolo in rivista metadata only access

Immune System Simulation Online

Rapin N ; Lund O ; Castiglione F
2011 Articolo in rivista metadata only access

Highly automated dipole estimation (HADES)

Automatic estimation of current dipoles from biomagnetic data is still a problematic task. This is due not only to the ill-posedness of the inverse problem but also to two intrinsic difficulties introduced by the dipolar model: the unknown number of sources and the nonlinear relationship between the source locations and the data. Recently, we have developed a new Bayesian approach, particle filtering, based on dynamical tracking of the dipole constellation. Contrary to many dipole-based methods, particle filtering does not assume stationarity of the source configuration: the number of dipoles and their positions are estimated and updated dynamically during the course of the MEG sequence. We have now developed a Matlab-based graphical user interface, which allows nonexpert users to do automatic dipole estimation from MEG data with particle filtering. In the present paper, we describe the main features of the software and show the analysis of both a synthetic data set and an experimental dataset. © 2011 C. Campi et al.

software inverse problem meg
2011 Curatela di monografia / trattato scientifico metadata only access

Mathematics and Computers in Simulation

2011 Articolo in rivista restricted access

Maximum occurrence analysis of protein conformations for different distributions of paramagnetic metal ions within flexible two-domain proteins

Luchinat, C. ; Nagulapalli, M. ; Parigi, G. ; Sgheri, L.

: Multidomain proteins are composed of rigid domains connected by (flexible) linkers. Therefore, the domains may experience a large degree of reciprocal reorientation. Pseudocontact shifts and residual dipolar couplings arising from one or more paramagnetic metals successively placed in a single metal binding site in the protein can be used as restraints to assess the degree of mobility of the different domains. They can be used to determine the maximum occurrence (MO) of each possible protein conformation, i.e. the maximum weight that such conformations can have independently of the real structural ensemble, in agreement with the provided restraints. In the case of two-domain proteins, the metal ions can be placed all in the same domain, or distributed between the two domains. It has been demonstrated that the quantity of independent information for the characterization of the system is larger when all metals are bound in the same domain. At the same time, it has been shown that there are practical advantages in placing the metals in different domains. Here, it is shown that distributing the metals between the domains provides a tool for defining a coefficient of compatibility among the restraints obtained from different metals, without a significant decrease of the capability of the MO values to discriminate among conformations with different weights.

Protein folding, NMR data
2011 Articolo in rivista metadata only access

Planar quasilinear elliptic equations with right-hand side in L(log L) δ

Alberico A. ; Alberico T. ; Sbordone C.

For Ω R 2 a bounded open set with C 1 boundary, we study the regularity of the variational solution v ε W 1,2 0 (Ω) to the quasilinear elliptic equation of Leray-Lions -divA(x;δv) = f when f belongs to the Zygmund space L(log L) δ(Ω), 1/2 ≤ δ δ 1. We prove that |δv| belongs to the Lorentz space L 2,1/δ(Ω).

Elliptic equations Gradient regularity Grand lebesgue spaces Zygmund spaces
2011 Contributo in volume (Capitolo o Saggio) metadata only access

Statistical Approaches to the Inverse Problem

A. Pascarella ; A. Sorrentino

inglese

MEG, inverse problems, bayesian tracking
2011 Contributo in Atti di convegno open access

Spatial and velocity statistics of inertial particles in turbulent flows

Spatial and velocity statistics of heavy point-like particles in incompressible, homogeneous, and isotropic three-dimensional turbulence is studied by means of direct numerical simulations at two values of the Taylor-scale Reynolds number Re-lambda similar to 200 and Re-lambda similar to 400, corresponding to resolutions of 512(3) and 2048(3) grid points, respectively. Particles Stokes number values range from St approximate to 0.2 to 70. Stationary small-scale particle distribution is shown to display a singular -multifractal- measure, characterized by a set of generalized fractal dimensions with a strong sensitivity on the Stokes number and a possible, small Reynolds number dependency. Velocity increments between two inertial particles depend on the relative weight between smooth events - where particle velocity is approximately the same of the fluid velocity-, and caustic contributions - when two close particles have very different velocities. The latter events lead to a non-differentiable small-scale behaviour for the relative velocity. The relative weight of these two contributions changes at varying the importance of inertia. We show that moments of the velocity difference display a quasi bi-fractal-behavior and that the scaling properties of velocity increments for not too small Stokes number are in good agreement with a recent theoretical prediction made by K. Gustavsson and B. Mehlig arXiv:1012.1789v1 [physics.fludyn], connecting the saturation of velocity scaling exponents with the fractal dimension of particle clustering.

HEAVY-PARTICLES ISOTROPIC TURBULENCE PREFERENTIAL CONCENTRATION INTERMITTENT DISTRIBUTION ACCELERATION STATISTICS
2011 Poster in Atti di convegno metadata only access

Dynamic simulation of a flexible transport system

Marco Baldassarre ; Pasquale Carotenuto ; Giuseppe Raponi ; Giovanni Storchi