Investigation of a new GRASP-based clustering algorithm applied to biological data

A large amount of biological data has been produced in the last years. Important knowledge can be extracted from these data by the use of data analysis techniques. Clustering plays an important role in data analysis, by organizing similar objects from a dataset into meaningful groups. Several clustering algorithms have been proposed in the literature. However, each algorithm has its bias, being more adequate for particular datasets. This paper presents a mathematical formulation to support the creation of consistent clusters for biological data. Moreover. it shows a clustering algorithm to solve this formulation that uses GRASP (Greedy Randomized Adaptive Search Procedure). We compared the proposed algorithm with three known other algorithms. The proposed algorithm presented the best clustering results confirmed statistically. (C) 2009 Elsevier Ltd. All rights reserved.

GRASP heuristic with path-relinking for the multi-plant capacitated lot sizing problem

This paper addresses the independent multi-plant, multi-period, and multi-item capacitated lot sizing problem where transfers between the plants are allowed. This is an NP-hard combinatorial optimization problem and few solution methods have been proposed to solve it. We develop a GRASP (Greedy Randomized Adaptive Search Procedure) heuristic as well as a path-relinking intensification procedure to find cost-effective solutions for this problem. In addition, the proposed heuristics is used to solve some instances of the capacitated lot sizing problem with parallel machines. The results of the computational tests show that the proposed heuristics outperform other heuristics previously described in the literature. The results are confirmed by statistical tests. (C) 2009 Elsevier B.V. All rights reserved.

Improvement in the Reduction Behavior of Novel ZrO(2)-CeO(2) Solid Solutions with a Tubular Nanostructure by Incorporation of Pd

In this work, 1 wt % Pd/ZrO(2)-CeO(2) mixed oxide nanotubes with 90 mol % CeO(2) were synthesized following a very simple, high-yield procedure and their properties were characterized by synchrotron radiation X-ray diffraction, X-ray absorption near-edge spectroscopy (XANES), and scanning and high-resolution transmission electron microscopy (SEM and HRTEM). In situ XANES experiments were carried out under reducing conditions to investigate the reduction behavior of these novel nanotube materials. The Pd/CeO(2)-based nanotubes exhibited the cubic phase (Fm3m space group). The nanotube walls were composed of nanoparticles with an average crystallite size of about 7 nm, and the nanotubes exhibited a large specific surface area (85 m(2).g(-1)). SEM and HRTEM studies showed that individual nanotubes were composed of a curved sheet of these nanoparticles. Elemental analysis showed that the Ce:Zr:Pd ratios appeared to be approximately constant across space, suggesting compositional homogeneity in the samples. XANES results indicated that the extent of reduction of these materials is low and that the Ce(4+) state is in the majority over the reduced Ce(3+) state. The results suggest that Pd cations-most likely Pd(2+)-form a Pd-Ce-Zr oxide solid solution and that the Pd(2+) is stabilized against reduction in this phase. However, incorporation of the Pd (1 wt %) into the crystal lattice of the nanotubes also appeared to destabilize Ce(4+) against reduction to Ce(3+) and caused a significant increase in its reducibility.

Metastable Phase Diagram of Nanocrystalline ZrO(2)-Sc(2)O(3) Solid Solutions

We have investigated the crystal structures and phase transitions of nanocrystalline ZrO(2)-1 to -13 mol % Sc(2)O(3) by synchrotron X-ray powder diffraction and Raman spectroscopy. ZrO(2)-Sc(2)O(3) nanopowders were synthesized by using a stoichiometric nitrate-lysine get-combustion route. Calcination processes at 650 and at 850 degrees C yielded nanocrystalline materials with average crystallite sizes of (10 +/- 1) and (25 +/- 2) nm, respectively. Only metastable tetragonal forms and the cubic phase were identified, whereas the stable monoclinic and rhombohedral phases were not detected in the compositional range analyzed in this work. Differently from the results of investigations reported in the literature for ZrO(2)-Sc(2)O(3) materials with large crystallite sizes, this study demonstrates that, if the crystallite sizes are small enough (in the nanometric range), the metastable t ``-form of the tetragonal phase is retained. We have also determined the t`-t `` and t ``-cubic compositional boundaries at room temperature and analyzed these transitions at high temperature. Finally, using these results, we built up a metastable phase diagram for nanocrystalline compositionally homogeneous ZrO(2)-Sc(2)O(3) solid solutions that strongly differs from that previously determined from compositionally homogeneous ZrO(2)-Sc(2)O(3), Solid solutions with much larger crystallite sizes.

Effects of Synthesis Conditions on the Nanostructure of Hybrid Sols Produced by the Hydrolytic Condensation of (3-Methacryloxypropyl)trimethoxysilane

Polysilsesquioxanes containing methacrylate pendant groups were prepared by the sol-gel process through hydrolysis and condensation of (3-methacryloxypropyl)trimethoxysilane (MPTS) dissolved in a methanol/methyl methacrylate (MMA) mixture. The effects of different water, MMA, and methanol contents, as well as of pH, on the nanoscopic and local structures of the system, at advanced stages of the condensation reaction, were studied by small-angle X-ray scattering (SAXS) and (29)Si nuclear magnetic resonance (NMR) spectroscopy, respectively. SAXS results indicate that the nanoscopic features of the hybrid sol could be described by a hierarchical model composed of two levels, namely (i) silsesquioxane (SSQO) nanoparticles Surrounded by the methacrylate pendant groups and the methanol/MMA mixture. and (ii) aggregation zones or islands containing correlated SSQO nanoparticles, embedded in the liquid medium. The (29)Si NMR results Show that the inner Structures of SSQO nanoparticles produced at pH 1 and 3 were built Up of polyhedral structures. mainly cagelike octamers and small linear oligomers, respectively. Irrespective of MMA and methanol contents, for a [H(2)O]/[MPTS] ratio higher than or equal to 1, the SSQO nailoparticles produced at pH I exhibit an average condensation degree (CD approximate to 69-87%) and average radius of gyration (R(g) approximate to 2.5 angstrom) larger than those produced at pH 3 (CD approximate to 48-67% and R(g) approximate to 1.5 angstrom). Methanol appears to act as a redispersion agent, by decreasing the number of particles inside the aggregation zones, while the addition of MMA induces a swelling of the aggregation zones.

New exotic charmonium states

In the last years many states in the charmonium mass region were discovery by BABAR, Belle and CDF collaborations I discuss some of these discoveries, and how the QCD Sum Rule approach can be used to understand the structure of these states

Nuclear dependence of charm production

Using data taken by SELEX during the 1996-1997 fixed target run at Fermilab, we study the production of charmed hadrons on copper and carbon targets with Sigma(-), p, pi(-), and pi(+) beams. Parametrizing the dependence of the inclusive production cross section on the atomic number A as A(alpha), we determine alpha for D(+), D(0), D(s)(+), D(+)(2010), Lambda(+)(c), and their respective anti-particles, as a function of their transverse momentum p(t) and scaled longitudinal momentum x(F). Within our statistics there is no dependence of alpha on x(F) for any charm species for the interval 0.1 < x(F) < 1.0. The average value of alpha for charm production by pion beams is alpha(meson) = 0.850 +/- 0.028. This is somewhat larger than the corresponding average alpha(baryon) = 0.755 +/- 0.016 for charm production by baryon beams (Sigma(-), p).

Formulation of the standard model in terms of spinor fields

We propose an alternative formulation of the Standard Model which reduces the number of free parameters. In our framework, fermionic fields are assigned to fundamental representations of the Lorentz and the internal symmetry groups, whereas bosonic field variables transform as direct products of fundamental representations of all symmetry groups. This allows us to reduce the number of fundamental symmetries. We formulate the Standard Model by considering the SU(3) and SU(2) symmetry groups as the underlying symmetries of the fundamental interactions. This allows us to suggest a model, for the description of the interactions of the intermediate bosons among themselves and interactions of fermions, that makes use of just two parameters. One parameter characterizes the symmetric phase, whereas the other parameter (the asymmetry parameter) gives the breakdown strength of the symmetries. All coupling strengths of the Standard Model are then derived in terms of these two parameters. In particular, we show that all fermionic electric charges result from symmetry breakdown.

SZNAJD MODEL AND PROPORTIONAL ELECTIONS: THE ROLE OF THE TOPOLOGY OF THE NETWORK

The Sznajd model (SM) has been employed with success in the last years to describe opinion propagation in a community. In particular, it has been claimed that its transient is able to reproduce some scale properties observed in data of proportional elections, in different countries, if the community structure (the network) is scale-free. In this work, we investigate the properties of the transient of a particular version of the SM, introduced by Bernardes and co-authors in 2002. We studied the behavior of the model in networks of different topologies through the time evolution of an order parameter known as interface density, and concluded that regular lattices with high dimensionality also leads to a power-law distribution of the number of candidates with v votes. Also, we show that the particular absorbing state achieved in the stationary state (or else, the winner candidate), is related to a particular feature of the model, that may not be realistic in all situations.

Electronic and magnetic properties of Ti and Fe on graphene

The structural, electronic and magnetic properties of Fe and Ti atomic wires and the complete covering when adsorbed on graphene are presented through ab initio calculations based on density functional theory. The most stable configurations are investigated for Fe and Ti in different concentrations adsorbed on the graphene surface, and the corresponding binding energies are calculated. The results show a tendency of the Ti atoms to cover uniformly the graphene surface, whereas the Fe atoms form clusters. The adsorption of the transition metal on the graphene surface changes significantly the electronic density of states near the graphene Fermi region. In all arrangements studied, a charge transfer is observed from the adsorbed species to the graphene surface due to the high hybridizations between the systems.

Ab initio study of SO2 molecules interacting with pristine and transition metal covered fullerenes as a possible route for nanofilters

In this work, a systematic study of SO2 molecules interacting with pristine and transition metal (TM) covered C-60 is presented by means of first principles calculations. It is observed that the SO2 molecule interacts weakly with the pristine C-60 fullerene, although the resulting interaction is largely increased when the C-60 structure is covered with Fe, Mn, or Ti atoms and the SO2 Molecules are bounded through the TM atoms. The number of bounded SO2 molecules per TM atoms, in addition to the elevated binding energies per molecules, allows us to conclude that such composites can be used as a template for efficient devices to remove SO2 molecules or, alternatively, as SO2 gas sensor.

Surface and Quantum Confinement Effects in ZnO Nanocrystals

ZnO nanocrystals are studied using theoretical calculations based on the density functional theory. The two main effects related to the reduced size of the nanocrystals are investigated: quantum confinement and a large surface:volume ratio. The effects of quantum confinement are studied by saturating the surface dangling bonds of the nanocrystals with hypothetical H atoms. To understand the effects of the surfaces of the nanocrystals, all saturation is removed and the system is relaxed to its minimum energy position. Several different surface motifs are reported, which should be observed experimentally. Spin-polarized calculations are performed in the nonsaturated nanocrystals, leading to different magnetic moments. We propose that this magnetic moment can be responsible for the intrinsic magnetism observed in ZnO nanostructures.

Group IV Graphene- and Graphane-Like Nanosheets

We performed a first-principles investigation on the structural and electronic properties of group IV (C, SiC, Si, Ge, and Sn) graphene-like sheets in flat and buckled configurations and the respective hydrogenated or fluorinated graphane-like ones. The analysis on the energetics, associated with the formation of those structures, showed that fluorinated graphane-like sheets are very stable and should be easily synthesized in the laboratory. We also studied the changes of the properties of the graphene-like sheets as a result of hydrogenation or fluorination. The interatomic distances in those graphane-like sheets are consistent with the respective crystalline ones, a property that may facilitate integration of those sheets within three-dimensional nanodevices.

Magnetic Fluids Based on gamma-Fe(2)O(3) and CoFe(2)O(4) Nanoparticles Dispersed in Ionic Liquids

The disclosure of magnetic ionic liquids (MILs) as stable dispersions of surface modified gamma-Fe(2)O(3) or CoFe(2)O(4) nanoparticles (NPs) in the 1-n-butyl-3-methylimidazolium tetrafluoroborate (BMIBF(4)) ionic liquid is reported. The magnetic NPs were characterized by X-ray powder diffraction, transmission electron microscopy, and Raman spectroscopy. The surface modified NPs have proved to form stable dispersions in BMIBF(4) in the absence of water and behave like a magnetic ionic liquid. The MILs have been characterized by Raman spectroscopy, magnetic measurements, and DSC. The stability of the magnetic NPs in BMIBF(4) is consistently explained by assuming the formation of a semiorganized protective layer composed of supramolecular aggregates in the form of [(BMI)(2)(BF(4))(3)](-). A superparamagnetic behavior and saturation magnetization of ca. 18 emu/g for a sample containing 30% w/w maghemite NPs/BMIBF(4) have been inferred from static and dynamic magnetic measurements. DSC results have shown that the MIL composed of 30% w/w CoFe(2)O(4) NPs/BMIBF(4) remains a liquid phase down to -84 degrees C.

Computer simulations of copper and gold nanowires and single-wall nanowires

Copper and gold nanowires under tension evolve to form linear atomic chains (LACs), and the study and understanding of this evolution is an important subject for the development of nanocontacts. Here we study the differences and similarities between copper and gold nanowires (NWs) under stress along the [111] crystallographic direction until their rupture using tight-binding molecular dynamics. In both metals, the first significant rearrangement occurs due to one inside atom that goes to the NW` surface. In an attempt to better understand this effect, for both metals we also consider hollow NW`s where the inside atoms were excluded after the initial relaxation to create single-wall NW`s (SWNWs). The dynamical evolution of these SWNWs provides insight on the formation of the constriction that evolves to form LACs. Studying the calculated forces supported by the NW`s we show that SWNWs can sustain larger forces before the first major rearrangement in the copper and gold when compared to the original NW`s.