Nonperturbative approach to potentials in impenetrable boxes based on quasi-exact solvability

In this work we develop an approach to obtain analytical expressions for potentials in an impenetrable box. In this kind of system the expression has the advantage of being valid for arbitrary values of the box length, and respect the correct quantum limits. The similarity of this kind of problem with the quasi exactly solvable potentials is explored in order to accomplish our goals. Problems related to the break of symmetries and simultaneous eigenfunctions of commuting operators are discussed.

A partial least squares and principal component regression study of quinone compounds with trypanocidal activity

A quantitative structure-activity relationship (QSAR) study of 19 quinone compounds with trypanocidal activity was performed by Partial Least Squares (PLS) and Principal Component Regression (PCR) methods with the use of leave-one-out crossvalidation procedure to build the regression models. The trypanocidal activity of the compounds is related to their first cathodic potential (Ep(c1)). The regression PLS and PCR models built in this study were also used to predict the Ep(c1) of six new quinone compounds. The PLS model was built with three principal components that described 96.50% of the total variance and present Q(2) = 0.83 and R-2 = 0.90. The results obtained with the PCR model were similar to those obtained with the PLS model. The PCR model was also built with three principal components that described 96.67% of the total variance with Q(2) = 0.83 and R-2 = 0.90. The most important descriptors for our PLS and PCR models were HOMO-1 (energy of the molecular orbital below HOMO), Q4 (atomic charge at position 4), MAXDN (maximal electrotopological negative difference), and HYF (hydrophilicity index).

Simple orbit determination using GPS based on a least-squares algorithm employing sequential givens rotations

A low-cost computer procedure to determine the orbit of an artificial satellite by using short arc data from an onboard GPS receiver is proposed. Pseudoranges are used as measurements to estimate the orbit via recursive least squares method. The algorithm applies orthogonal Givens rotations for solving recursive and sequential orbit determination problems. To assess the procedure, it was applied to the TOPEX/POSEIDON satellite for data batches of one orbital period (approximately two hours), and force modelling, due to the full JGM-2 gravity field model, was considered. When compared with the reference Precision Orbit Ephemeris (POE) of JPL/NASA, the results have indicated that precision better than 9 m is easily obtained, even when short batches of data are used. Copyright (c) 2007.

A partial least squares regression study with antioxidant flavonoid compounds

The quantitative structure-activity relationship of a set of 19 flavonoid compounds presenting antioxidant activity was studied by means of PLS (Partial Least Squares) regression. The optimization of the structures and calculation of electronic properties were done by using the semiempirical method AMI. A reliable model (r(2) = 0.806 and q(2) = 0.730) was obtained and from this model it was possible to consider some aspects of the structure of the flavonoid compounds studied that are related with their free radical scavenging ability. The quality of the PLS model obtained in this work indicates that it can be used in order to design new flavonoid compounds that present ability to scavenge free radicals.

Band-edge states of the zero(th)-order gap in quasi-periodic photonic superlattices

The photonic modes of Thue-Morse and Fibonacci lattices with generating layers A and B, of positive and negative indices of refraction, are calculated by the transfer-matrix technique. For Thue-Morse lattices, as well for periodic lattices with AB unit cell, the constructive interference of reflected waves, corresponding to the zero(th)-order gap, takes place when the optical paths in single layers A and B are commensurate. In contrast, for Fibonacci lattices of high order, the same phenomenon occurs when the ratio of those optical paths is close to the golden ratio. In the long wavelength limit, analytical expressions defining the edge frequencies of the zero(th) order gap are obtained for both quasi-periodic lattices. Furthermore, analytical expressions that define the gap edges around the zero(th) order gap are shown to correspond to the = 0 and = 0 conditions.

Photoluminescence in quasi-amorphous Pb0.8X0.2Zr0.53Ti0.47O3 (X = Ca, Sr and Ba) powders: An optical and structural study

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

Near-infrared Raman spectroscopy to detect anti-Toxoplasma gondii antibody in blood sera of domestic cats: quantitative analysis based on partial least-squares multivariate statistics

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

PRACTICAL LAND GRADING BASED ON LEAST SQUARES.

Practical methods for land grading design of a plane surface for rectangular and irregularly shaped fields based on a least squares analysis are presented. The least squares procedure leads to a system of three linear equations with three unknowns for determination of the best-fit plane. The equations can be solved by determinants (Cramer's rule) using a procedure capable of solution by many programmable calculators. The detailed computational process for determining the equation of the plane and a simple method to find the centroid location of an irregular field are also given. An illustrative example and design instructions are included to demonstrate the application of the design procedure.

Carbon monoxide oxidation over platinum: Stable, oscillatory and quasi-chaotic regimes

We model the heterogeneously catalyzed oxidation of CO over a Pt surface. A phase diagram analysis is used to probe the several steady state regimes and their stability. We incorporate an experimentally observed 'slow' sub-oxide kinetic step, thereby generalizing a previously presented model. In agreement with experimental data, stable, oscillatory and quasi-chaotic regimes are obtained. Furthermore, the inclusion of the sub-oxide step yields a relaxation oscillation regime. © 1998 Elsevier Science B.V. All rights reserved.

The dynamics of bright matter wave solitons in a quasi one-dimensional Bose-Einstein condensate with a rapidly varying trap

The dynamics of a bright matter wave soliton in a quasi one-dimensional Bose-Einstein condensate (BEC) with a periodically rapidly varying time trap is considered. The governing equation is based on averaging the fast modulations of the Gross-Pitaevskii (GP) equation. This equation has the form of a GP equation with an effective potential of a more complicated structure than an unperturbed trap. In the case of an inverted (expulsive) quadratic trap corresponding to an unstable GP equation, the effective potential can be stable. For the bounded space trap potential it is showed that bifurcation exists, i.e. the single-well potential bifurcates to the triple-well effective potential. The stabilization of a BEC cloud on-site state in the temporary modulated optical lattice is found. This phenomenon is analogous to the Kapitza stabilization of an inverted pendulum. The analytical predictions of the averaged GP equation are confirmed by numerical simulations of the full GP equation with rapid perturbations.

Simulations of incompressible fluid flows by a least squares finite element method

In this work simulations of incompressible fluid flows have been done by a Least Squares Finite Element Method (LSFEM) using velocity-pressure-vorticity and velocity-pressure-stress formulations, named u-p-ω) and u-p-τ formulations respectively. These formulations are preferred because the resulting equations are partial differential equations of first order, which is convenient for implementation by LSFEM. The main purposes of this work are the numerical computation of laminar, transitional and turbulent fluid flows through the application of large eddy simulation (LES) methodology using the LSFEM. The Navier-Stokes equations in u-p-ω and u-p-τ formulations are filtered and the eddy viscosity model of Smagorinsky is used for modeling the sub-grid-scale stresses. Some benchmark problems are solved for validate the numerical code and the preliminary results are presented and compared with available results from the literature. Copyright © 2005 by ABCM.

Mitigating systematic errors for single frequency GPS receivers employing a penalized least squares methodology

Among the positioning systems that compose GNSS (Global Navigation Satellite System), GPS has the capability of providing low, medium and high precision positioning data. However, GPS observables may be subject to many different types of errors. These systematic errors can degrade the accuracy of the positioning provided by GPS. These errors are mainly related to GPS satellite orbits, multipath, and atmospheric effects. In order to mitigate these errors, a semiparametric model and the penalized least squares technique were employed in this study. This is similar to changing the stochastical model, in which error functions are incorporated and the results are similar to those in which the functional model is changed instead. Using this method, it was shown that ambiguities and the estimation of station coordinates were more reliable and accurate than when employing a conventional least squares methodology.

Health benefits guarantees in Latin America: equity and quasi market restructuring at the beginning of the millennium

Includes bibliography

At least two indigenous species of the Bemisia tabaci complex are present in Brazil

Bemisia tabaci is one of the most important global agricultural insect pests, being a vector of emerging plant viruses such as begomoviruses and criniviruses that cause serious problems in many countries. Although knowledge of the genetic diversity of B. tabaci populations is important for controlling this pest and understanding viral epidemics, limited information is available on this pest in Brazil. A survey was conducted in different locations of São Paulo and Mato Grosso states, and the phylogenetic relationships of B. tabaci individuals from 43 populations sampled from different hosts were analysed based on partial mitochondrial cytochrome oxidase 1 gene (mtCOI) sequences. According to the recently proposed classification of the B. tabaci complex, which employs the 3.5% mtCOI sequence divergence threshold for species demarcation, most of the specimens collected were found to belong to the Middle East-Asia Minor 1 species, which includes the invasive populations of the commonly known B biotype, within the Africa/Middle East/Asia Minor high-level group. Three specimens collected from Solanun gilo and Ipomoea sp. were grouped together and could be classified in the New World species that includes the commonly known A biotype. However, six specimens collected from Euphorbia heterophylla, Xanthium cavanillesii and Glycine maxima could not be classified into any of the 28 previously proposed species, although according to the 11% mtCOI sequence divergence threshold, they belong to the New World high-level group. These specimens were classified into a new recently proposed species named New World 2 that includes populations from Argentina. Middle East-Asia Minor 1, New World and New World 2 were differentiated by RFLP analysis of the mtCOI gene using TaqI enzyme. Taq I analysis in silico also differentiates these from Mediterranean species, thus making this method a convenient tool to determine population dynamics, especially critical for monitoring the presence of this exotic pest in Brazil. © 2012 Blackwell Verlag, GmbH.