Structural studies of prephenate dehydratase from Mycobacterium tuberculosis H37Rv by SAXS, ultracentrifugation, and computational analysis

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

QCD vacuum topology and glueballs

We outline a comprehensive study of spin-0 glueball properties which, in particular, keeps track of the topological gluon structure. Specifically, we implement (semi-hard) topological instanton physics as well as topological charge screening in the QCD vacuum into the operator product expansion (OPE) of the glueball correlators. A realistic instanton size distribution and the (gauge-invariant) renormalization of the instanton contributions are also implemented. Predictions for 0(++) and 0(-+) glueball properties are presented.

Cosmic topology: a brief overview

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Exploring the global topology of the universe

We review the work done by our group on cosmic topology. It ranges from early atempts to solve a famous controversy about quasars thought the multiplicity of images, to quantum cosmology in this context and an application to QED renormalization.

Search for scalar leptoquarks and T-odd quarks in the acoplanar jet topology using 2.5 fb(-1) of p(p)over-bar collision data at root s=1.96 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Search for neutral Higgs bosons in the multi-b-jet topology in 5.2 fb(-1) of p(p)over-bar collisions at root s=1.96 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of t(t)over-bar production in the tau plus jets topology using p(p)over-bar collisions root s=1.96 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Search for the Standard Model Higgs Boson in the Missing Energy and Acoplanar b-Jet Topology at root s=1.96 TeV

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Wavelet-Galerkin method for one-dimensional elastoplasticity and damage problems: Constitutive modeling and computational aspects

This work presents an analysis of the wavelet-Galerkin method for one-dimensional elastoplastic-damage problems. Time-stepping algorithm for non-linear dynamics is presented. Numerical treatment of the constitutive models is developed by the use of return-mapping algorithm. For spacial discretization we can use wavelet-Galerkin method instead of standard finite element method. This approach allows to locate singularities. The discrete formulation developed can be applied to the simulation of one-dimensional problems for elastic-plastic-damage models. (C) 2007 Elsevier B.V. All rights reserved.

Growth mechanism of octahedron-like BaMoO4 microcrystals processed in microwave-hydrothermal: Experimental observations and computational modeling

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Re-examination of the anion derivatives of isoflavones by radical fragmentation in negative electrospray ionization tandem mass spectrometry: experimental and computational studies

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Virasoro constraints and flavor-topology duality in QCD

We derive Virasoro constraints for the zero momentum part of the QCD-like partition functions in the sector of topological charge v. The constraints depend on the topological charge only through the combination N-f +betav/2 where the value of the Dyson index beta is determined by the reality type of the fermions. This duality between flavor and topology is inherited by the small-mass expansion of the partition function and all spectral sum rules of inverse powers of the eigenvalues of the Dirac operator. For the special case beta =2 but arbitrary topological charge the Virasoro constraints are solved uniquely by a generalized Kontsevich model with the potential V(X) = 1/X.

Criteria for mixed grids in computational fluid dynamics

The finite volume method is used as a numerical method for solving the fluid flow equations. This method is appropriate to employ under structured and unstructured meshes. Mixed grids, combining both types of grids, are investigated. The coupling of different grids is done by overlapping strategy. The computational effort for the mixed grid is evaluated by the CPU-time, with different percentage of covering area of the unstructured mesh. The present scheme is tested for the driven cavity problem, where the incompressible fluid is integrated by calculating the velocity fields and computing the pressure field in each time step. Several schemes for unstructured grid are examined, and the compatibility condition is applied to check their consistency. A scheme to verify the compatibility condition for the unstructured grids is presented. (c) 2006 IMACS. Published by Elsevier B.V. All rights reserved.

Computational studies of the reversible domain swapping of p13suc1

A minimalist representation of protein structures using a Go- like potential for interactions is implemented to investigate the mechanisms of the domain swapping of p13suc1, a protein that exists in two native conformations: a monomer and a domain- swapped dimer formed by the exchange of a beta- strand. Inspired by experimental studies which showed a similarity of the transition states for folding of the monomer and the dimer, in this study we justify this similarity in molecular descriptions. When intermediates are populated in the simulations, formation of a domain- swapped dimer initiates from the ensemble of unfolded monomers, given by the fact that the dimer formation occurs at the folding/ unfolding temperature of the monomer ( T-f). It is also shown that transitions, leading to a dimer, involve the presence of two intermediates, one of them has a dimeric form and the other is monomeric; the latter is much more populated than the former. However, at temperatures lower than T-f, the population of intermediates decreases. It is argued that the two folded forms may coexist in absence of intermediates at a temperature much lower than T-f. Computational simulations enable us to find a mechanism, `` lock- and- dock'', for domain swapping of p13suc1. To explore the route toward dimer formation, the folding of unstructured monomers must be retarded by first locking one of the free ends of each chain. Then, the other free termini could follow and dock at particular regions, where most intrachain contacts are formed, and thus de. ne the transition states of the dimer. The simulations also showed that a decrease in the maximum distance between monomers increased their stability, which is explained based on confinement arguments. Although the simulations are based on models extracted from the native structure of the monomer and the dimer of p13suc1, the mechanism of the domain- swapping process could be general, not only for p13suc1.