Velocity and hierarchical spread of epidemic outbreaks in scale-free networks

We study the effect of the connectivity pattern of complex networks on the propagation dynamics of epidemics. The growth time scale of outbreaks is inversely proportional to the network degree fluctuations, signaling that epidemics spread almost instantaneously in networks with scale-free degree distributions. This feature is associated with an epidemic propagation that follows a precise hierarchical dynamics. Once the highly connected hubs are reached, the infection pervades the network in a progressive cascade across smaller degree classes. The present results are relevant for the development of adaptive containment strategies.     

Detecting intermolecular NOEs by means of a novel DPFGSE pulse sequence. Application to the solvation of carbohydrates in binary mixtures

We present a pulse sequence based on solute-to-solvent NOE enhancement and aimed at the detection of intermolecular NOE's. Thus, a W3 pulse cluster is used to selectively filter the solvent signals in a DPFGSE sequence. The sequence has been tested on a sample of glucose dissolved in two binary aqueous mixtures (water-acetonitrile and water-DMSO). We show how the resulting enhancements may derive from intermolecular cross-relaxation or, in the water-DMSO sample, also from chemical exchange. In each case, a quantitative interpretation of the data is also supplied, both in terms of local enrichment in one specific solvent (preferential solvation), and by means of a kinetic model for a two-site chemical exchange.     

Microcavity polariton splitting of intersubband transitions

The optical response of the intersubband excitation of multiple two-dimensional electron gases within a semiconductor microcavity has been studied through angle-dependent reflectance measurements. Using a resonator based on total internal reflection, a clear splitting of about 14 meV of the coupled intersubband cavity modes is observed from 10 K to room temperature, with resulting polaritonlike dispersion. The experimental findings are in good agreement with theoretical calculations performed in a transfer-matrix formalism.     

Absence of epidemic threshold in scale-free networks with degree correlations

Random scale-free networks have the peculiar property of being prone to the spreading of infections. Here we provide for the susceptible-infected-susceptible model an exact result showing that a scale-free degree distribution with diverging second moment is a sufficient condition to have null epidemic threshold in unstructured networks with either assortative or disassortative mixing. Degree correlations result therefore irrelevant for the epidemic spreading picture in these scale-free networks. The present result is related to the divergence of the average nearest neighbor's degree, enforced by the degree detailed balance condition.     

Four-wavelength time-resolved optical mammography in the 680-980-nm range

What is to our knowledge the first instrument for time-resolved optical mammography operating at wave-lengths longer than 900 nm has been developed. It is a scanning system that relies on the acquisition of time-resolved transmittance curves at 683, 785, 912, and 975 nm, with a total measurement time of approximately 5 min for an entire image. Breast structures and lesions can be discriminated based on the different absorption and scattering properties at the four wavelengths, which reflect different contributions of oxyhemoglobin, deoxyhemoglobin, water, and lipids, as well as distinct structures. The system is currently used in a European clinical trial.     

Template burning inside TS-1 and Fe-MFI molecular sieves: an in situ XRPD study

The high X-ray flux available at the European Synchrotron Radiation Facility (ESRF), combined with the use of a suitably designed area detector setup, allowed us to follow in real time the structural changes occurring during the template burning processes inside TS-1 and Fe-silicalite MFI zeolites with a X-ray powder diffraction technique (XRPD). Rietveld analysis of the XRPD patterns collected in the 350-1000 K interval, integrated each 15 K, yields to the determination of the template overall occupancy factor versus T with an accuracy comparable with that obtained by thermogravimetric measurements, routinely employed for this purpose. The evolution of the structural parameters (V, a, b, c, site occupancy factor of the template molecule) vs T has been obtained. These data allow us to have, for the first time, a complete view of the structural rearrangements induced by the template burning process on the zeolitic framework. The differences caused by the different heteroatom inserted in the MFI lattice (Ti or Fe) are discussed. For both TS-1 and Fe-MFI, the kinetics of the reaction were investigated, to obtain the activation energy of the calcinations process employing the nonisothermal data according to the theory recently proposed by Kennedy and Clark [Thermochim. Acta, 1997, 307, 27-35]. For TS-1 only, the time-resolved template burning experiment has been repeated in isothermal conditions at four different temperatures, to obtain the activation energy from isothermal data, according to the standard procedure. Comparison between Arrhenius plots obtained from isothermal and nonisothermal data demonstrates that the Kennedy and Clark method can be also applied to complex materials such as the MFI zeolites. This approach, when applied to time-resolved XRPD studies, is much less time consuming (requesting, in principle, one single nonisothermal run) with respect to the classic approach, which requests at least three isothermal runs. Moreover, it allows a remarkably lower associated error (151 +/- 11 versus 146 +/- 30 kJ mol(-)(1)) due to the much higher number of experimental points employed to perform the linear fit.     

Dioxouranium-carboxylate complexes. Formation and stability of acetate species at different ionic strengths in NaCl(aq)

The formation and stability of UO2(2+)-acetate complexes was studied potentiometrically, at T = 25 degrees C, at different ionic strength, 0 < I < or = 1 mol dm(-3), in aqueous NaCl solutions. Computer analysis allowed us to find the species UO2(ac)+, UO2(ac)2(0), UO2(ac)3- and UO2(ac)3(OH)2-. The dependence on ionic strength of formation constants was taken into account by using both a simple Debye-Hückel type equation and the SIT (Specific ion Interaction Theory) approach. A critical examination of the present results is given together with a comprehensive analysis of literature data.     

Self-assembly on multiple length scales: a Monte Carlo algorithm with data augmentation

We present a Monte Carlo algorithm that allows simulations where portions of the system of variable size are moved. The algorithm requires the definition of an augmented space that contains information on the bonding between components of the system and is updated as the simulation proceeds. With this method it is possible to incorporate, within the same simulation, processes involving motion of smaller and larger portions of a given system. The algorithm is presented in general terms and illustrated for a simple one-dimensional lattice model.     

PM-10 and heavy metals in particulate matter of the province of Lecce (Apulia, Southern Italy)

This paper shows the results of a preliminary study of air monitoring in the province of Lecce (Apulia, Southern Italy). In particular, the attention has been focused on the determination of the PM-10 level and of the concentration of nine metals (Cd, Cr, Cu, Fe, Mn, Ni, Pb, V and Zn) present on the filters which were collected in two towns (Lecce and Campi Salentina) from 2002 until 2003. The metals have been chosen on the basis of their toxicity and of their possible use as chemical tracers. The results have proved that PM-10 values and metals concentrations did not show substantial difference between the two towns and that PM-10 level and lead concentration are below the limit established by Italian law in force. The experiments have demonstrated a high correlation between iron and manganese in both sampling sites; this could be attributed to pollution of metallurgical origin. Multivariate statistical analysis, carried out by HCA and PCA methods, has been used in order to differentiate samples in relation to sampling sites, sampling period and meteorological conditions.     

Diffusion and viscosity of a calamitic liquid crystal model studied by computer simulation

We report a molecular dynamics simulation study on an ensemble of rod-like particles, each composed of nine soft spheres held rigidly along a line. We have calculated translational mean square displacements and velocity autocorrelation functions in the fluid phases exhibited by the model, i.e., smectic A, nematic and isotropic. These quantities have then been used to compute diffusion coefficients. In addition, we have calculated viscosities in the nematic and isotropic phases. Despite its crude nature, the model is capable of providing a faithful reproduction of many features of the transport behavior observed in real liquid-crystalline materials. The simulation results have been compared with the predictions of the modified affine transformation theory, finding only a fair agreement.