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2007 Articolo in rivista metadata only access

Canonical Correlation and Quantitative Phase Analysis of Microdiffraction Patterns in Bone-tissue Engineering

A novel method is described that combines high-resolution scanning microdiffraction techniques, Rietveld quantitative phase analysis and a statistical method known as canonical correlation analysis (CCA). The method has been applied to a sample taken from a bone-tissue-engineered bioceramic porous scaffold implanted in a mouse for six months. The CCA technique allows the detection of those pixels throughout the investigated sample that best correlate with signal models. Besides the standard usage of this approach, which requires theoretical profiles as signal models, a novel application is presented here, which consists of picking the model spectra out of the experimental data set. Patterns representative of a reasonable range of phase compositions were selected among the huge number of two-dimensional patterns ( folded in onedimensional profiles) to extract quantitative phase fractions. At this stage, the CCA approach was also used to overcome the low Poisson statistic of signal models, so making Rietveld quantitative analysis more reliable. These patterns have been used as profile models for CCA. The final classification map, obtained by assigning the considered pixel to the model spectrum with the highest canonical coefficient, provides the spatial variation of phase concentration.

X-RAY-DIFFRACTION TRICALCIUM PHOSPHATE RIETVELD METHOD IMAGES POWDER DIFFRACTION
2007 Articolo in rivista metadata only access

Microscopic simulation in biology and medicine

2007 Articolo in rivista metadata only access

Interpolation on spherical geodesic grids: a comparative study

Most operational models in atmospheric physics, meteorology and climatology nowadays adopt spherical geodesic grids and require “ad hoc” developed interpolation procedures. The author does a comparison between chosen representatives of linear, distance-based and cubic interpolation schemes outlining their advantages and drawbacks in this specific application field. Numerical experiments on a standard test problem, while confirming a good performance of linear and distance-based schemes in a single interpolation step, also show their minor accuracy with respect to the cubic scheme in the more realistic simulation of advection of a meteorological field.

Interpolation Spherical geodesic grids Numerical weather prediction
2007 Articolo in rivista metadata only access

A discrete time version for models of population dynamics in the presence of an infection

Izzo G ; Vecchio A

We present a set of difference equations which represents the discrete counterpart of a large class of continuous model concerning the dynamics of an infection in an organism or in a host population. The limiting behavior of the discrete model is studied and a threshold parameter playing the role of the basic reproduction number is derived.

2007 Articolo in rivista metadata only access

Optimization strategies for the entropic Lattice Boltzmann method

Tosi F ; Ubertini S ; Succi S ; Karlin IV
2007 Articolo in rivista metadata only access

Exploring DNA translocation through a nanopore via a multiscale lattice-Boltzmann Molecular-Dynamics methodology,

Fyta M ; Melchionna S ; Succi S ; Kaxiras E
2007 Articolo in rivista metadata only access

Identify regulatory sites using neighbourhood species,

Angelini C ; Cutillo L ; De Feis I ; Lio' P ; van der Wath R

The annotation of transcription binding sites in new sequenced genomes is an important and challenging problem. We have previously shown how a regression model that linearly relates gene expression levels to the matching scores of nucleotide patterns allows us to identify DNA-binding sites from a collection of co-regulated genes and their nearby non-coding DNA sequences. Our methodology uses Bayesian models and stochastic search techniques to select transcription factor binding site candidates. Here we show that this methodology allows us to identify binding sites in nearby species. We present examples of annotation crossing from Schizosaccharomyces pombe to Schizosaccharomyces japonicus. We found that the eng1 motif is also regulating a set of 9 genes in S. japonicus. Our framework may have an effective interest in conveying information in the annotation process of a new species. Finally we discuss a number of statistical and biological issues related to the identification of binding sites through covariates of genes expression and sequences.

variable selection transcription Factors
2007 Articolo in rivista metadata only access

The speciality index and the Lifshitz-Khalatnikov Kasner index parametrization

Bini D ; Cherubini C ; Jantzen R T

The speciality index function ${\mathcal S}$ for any Petrov type I, II or D spacetime is shown to be a natural function of a single complex scalar quantity $\mu$ (natural modulo permutation symmetries). For the family of Kasner spacetimes, this quantity is a function of the Kasner indices alone which coincides with the real Lifshitz-Khalatnikov parameter $u$ for those indices.

2007 Articolo in rivista metadata only access

Paramagnetism-Based NMR Restraints Provide Maximum Allowed Probabilities for the Different Conformations of Partially Independent Protein Domains

Bertini I ; Gupta Y K ; Luchinat C ; Parigi G ; Peana M ; Sgheri L ; Yuan J

An innovative analytical/computational approach is presented to provide maximum allowed probabilities (MAPs) of conformations in protein domains not rigidly connected. The approach is applied to calmodulin and to its adduct with R-synuclein. Calmodulin is a protein constituted by two rigid domains, each of them composed by two calcium-binding EF-hand motifs, which in solution are largely free to move with respect to one another. We used the N60D mutant of calmodulin, which had been engineered to selectively bind a paramagnetic lanthanide ion to only one of its four calcium binding sites, specifically in the second EF-hand motif of the N-terminal domain. In this way, pseudocontact shifts (pcs’s) and selforientation residual dipolar couplings (rdc’s) measured on the C-terminal domain provide information on its relative mobility with respect to the domain hosting the paramagnetic center. Available NMR data for terbium(III) and thulium(III) calmodulin were supplemented with additional data for dysprosium(III), analogous data were generated for the R-synuclein adduct, and the conformations with the largest MAPs were obtained for both systems. The MAP analysis for calmodulin provides further information on the variety of conformations experienced by the system. Such variety is somewhat reduced in the calmodulin-R-synuclein adduct, which however still retains high flexibility. The flexibility of the calmodulin-R-synuclein adduct is an unexpected result of this research.

protein folding NMR paramagnetic metals
2007 Articolo in rivista metadata only access

Global existence and uniqueness of solutions for multidimensional weakly parabolic systems arising in chemistry and biology

Guarguaglini FR ; Natalini R
2007 Articolo in rivista metadata only access

Decay Regions Segmentation from Color Images of Ancient Monuments Using Fast Marching Method

This work faces the problem of detecting decay zones from color images of stone materials. In Cultural Heritage, the extraction of degradation regions from images of ancient monuments represents an important step forward in studying and analyzing the state of preservation of historical buildings. Generally the decay diagnosis is provided by “naked eye” analysis done by expert scientists “walking around” the artifact and recording the conservation state of each individual element they observe. In addition to this kind of investigation, the application of an image segmentation strategy to color images of stony materials can be used in order to extract regions characterized by a visible chromatic alteration, changes in color, for example, as oxidation or concretion. This paper features a color image segmentation approach founded on the fast marching numerical method. We have applied this technique for its possibility to work locally, that is, only the contour of the region under study is processed. In addition to this method, we present a global approach, that is, the possibility to extract decay regions from the entire image; these regions are spatially disconnected but with similar colorimeter value. The main aim of the present work is to provide a tool that helps the expert to contour the degraded regions. In this sense even if the results of the proposed procedure depend on the expert evaluation, the approach can be a contribution to improve the efficiency of the boundary detection process. The study case concerns the impressive remains of the Roman Theatre in the city of Aosta (Italy). In the image segmentation process the color space L*a*b* is utilized.

segmentation color image decay Eikonal equation fast marching
2007 Articolo in rivista metadata only access

Numerical Linear Algebra in Signal Processing Applications

Mastronardi N ; Golub GH ; Chandrasekaran S ; Moonen M ; Van Dooren P ; Van Huffel S
numerical linear algebra signal processing image processing
2007 Articolo in rivista metadata only access

Discreteness effects in a reacting system of particles with finite interaction radius

Berti S ; Lopez C ; Vergni D ; Vulpiani A S Berti C López D Vergni ; A Vulpiani

An autocatalytic reacting system with particles interacting at a finite distance is studied. We investigate the effects of the discrete-particle character of the model on properties like reaction rate, quenching phenomenon, and front propagation, focusing on differences with respect to the continuous case. We introduce a renormalized reaction rate depending both on the interaction radius and the particle density, and we relate it to macroscopic observables (e.g., front speed and front thickness) of the system.

FRONT PROPAGATION TRAVELING FRONTS FLUCTUATIONS FLOWS MODEL
2007 Contributo in Atti di convegno metadata only access

Inertial particles in Turbulence

L Biferale ; J Bec ; G Boffetta ; A Celani ; M Cencini ; A Lanotte ; S Musacchio ; F Toschi
turbolenza trasporto
2007 Abstract in Atti di convegno metadata only access

A discrete time version for models of population dynamics in the presence of an infection

G Izzo ; A Vecchio

We present a set of difference equations which represents the discrete counterpart of a large class of continuous model concerning the dynamics of an infection in an organism or in a host population. The limiting behavior of the discrete model is studied and a threshold parameter playing the role of the basic reproduction number is derived.

2007 Presentazione / Comunicazione non pubblicata (convegno, evento, webinar...) metadata only access

The National Council of Research and the Equal Opportunity Issue

Applied Scientific Computing Women and Science Equal Opportunity Positive Actions
2007 Presentazione / Comunicazione non pubblicata (convegno, evento, webinar...) metadata only access

Profit analysis via risk adjusted performance indicators in life insurance

R Cocozza ; E Di Lorenzo ; M Sibillo ; A Orlando
2007 Presentazione / Comunicazione non pubblicata (convegno, evento, webinar...) metadata only access

Thermal and hydrodynamic effects on vesicles in shear flow

2007 Presentazione / Comunicazione non pubblicata (convegno, evento, webinar...) metadata only access

Kinetics of in vivo proliferation and death of CD44high and CD44int/low CD8 T cells: parameter estimation based on BrdU incorporation in spleen, lymph nodes and bone marrow.

E Parretta ; G Cassese ; A Vecchio ; A Santoni ; F Di Rosa
2007 Poster in Atti di convegno metadata only access

BATS: A user friendly Software for analyzing time series microarray experiments.