Integrable aspects of the scaling q-state Potts models II: finite-size effects

We continue our discussion of the q-state Potts models for q less than or equal to 4, in the scaling regimes close to their critical and tricritical points. In a previous paper, the spectrum and full S-matrix of the models on an infinite line were elucidated; here, we consider finite-size behaviour. TBA equations are proposed for all cases related to phi(21) and phi(12) perturbations of unitary minimal models. These are subjected to a variety of checks in the ultraviolet and infrared limits, and compared with results from a recently-proposed non-linear integral equation. A non-linear integral equation is also used to study the flows from tricritical to critical models, over the full range of q. Our results should also be of relevance to the study of the off-critical dilute A models in regimes 1 and 2. (C) 2003 Elsevier B.V. B.V. All rights reserved.

Generalized linear mixed models for the genetic evaluation of binary reproductive traits: a simulation study

The objective of this study was to evaluate the use of probit and logit link functions for the genetic evaluation of early pregnancy using simulated data. The following simulation/analysis structures were constructed: logit/logit, logit/probit, probit/logit, and probit/probit. The percentages of precocious females were 5, 10, 15, 20, 25 and 30% and were adjusted based on a change in the mean of the latent variable. The parametric heritability (h²) was 0.40. Simulation and genetic evaluation were implemented in the R software. Heritability estimates (ĥ²) were compared with h² using the mean squared error. Pearson correlations between predicted and true breeding values and the percentage of coincidence between true and predicted ranking, considering the 10% of bulls with the highest breeding values (TOP10) were calculated. The mean ĥ² values were under- and overestimated for all percentages of precocious females when logit/probit and probit/logit models used. In addition, the mean squared errors of these models were high when compared with those obtained with the probit/probit and logit/logit models. Considering ĥ², probit/probit and logit/logit were also superior to logit/probit and probit/logit, providing values close to the parametric heritability. Logit/probit and probit/logit presented low Pearson correlations, whereas the correlations obtained with probit/probit and logit/logit ranged from moderate to high. With respect to the TOP10 bulls, logit/probit and probit/logit presented much lower percentages than probit/probit and logit/logit. The genetic parameter estimates and predictions of breeding values of the animals obtained with the logit/logit and probit/probit models were similar. In contrast, the results obtained with probit/logit and logit/probit were not satisfactory. There is need to compare the estimation and prediction ability of logit and probit link functions.

Applied models to biodegradation kinetics of lubricant and vegetable oils in wastewater

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

Molecular models of NS3 protease variants of the Hepatitis C virus

Background: Hepatitis C virus (HCV) currently infects approximately three percent of the world population. In view of the lack of vaccines against HCV, there is an urgent need for an efficient treatment of the disease by an effective antiviral drug. Rational drug design has not been the primary way for discovering major therapeutics. Nevertheless, there are reports of success in the development of inhibitor using a structure-based approach. One of the possible targets for drug development against HCV is the NS3 protease variants. Based on the three-dimensional structure of these variants we expect to identify new NS3 protease inhibitors. In order to speed up the modeling process all NS3 protease variant models were generated in a Beowulf cluster. The potential of the structural bioinformatics for development of new antiviral drugs is discussed.Results: the atomic coordinates of crystallographic structure 1CU1 and 1DY9 were used as starting model for modeling of the NS3 protease variant structures. The NS3 protease variant structures are composed of six subdomains, which occur in sequence along the polypeptide chain. The protease domain exhibits the dual beta-barrel fold that is common among members of the chymotrypsin serine protease family. The helicase domain contains two structurally related beta-alpha-beta subdomains and a third subdomain of seven helices and three short beta strands. The latter domain is usually referred to as the helicase alpha-helical subdomain. The rmsd value of bond lengths and bond angles, the average G-factor and Verify 3D values are presented for NS3 protease variant structures.Conclusions: This project increases the certainty that homology modeling is an useful tool in structural biology and that it can be very valuable in annotating genome sequence information and contributing to structural and functional genomics from virus. The structural models will be used to guide future efforts in the structure-based drug design of a new generation of NS3 protease variants inhibitors. All models in the database are publicly accessible via our interactive website, providing us with large amount of structural models for use in protein-ligand docking analysis.

Application of abrupt cut-off models in the analysis of the capacitance spectra of conjugated polymer devices

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

The structures underlying soliton solutions in integrable hierarchies

We point out that a common feature of integrable hierarchies presenting soliton solutions is the existence of some special ''vacuum solutions'' such that the Lax operators evaluated on them, lie in some abelian subalgebra of the associated Kac-Moody algebra. The soliton solutions are constructed out of those ''vacuum solitons'' by the dressing transformation procedure.

T-duality in affine NA Toda models

The construction of non-Abelian affine Toda models is discussed in terms of its underlying Lie algebraic structure. It is shown that a subclass of such non-conformal two-dimensional integrable models naturally leads to the construction of a pair of actions, which share the same spectra and are related by canonical transformations.

Classical integrable N=1 and N=2 super sinh-Gordon models with jump defects

The structure of integrable field theories in the presence of jump defects is discussed in terms of boundary functions under the Lagrangian formalism. Explicit examples of bosonic and fermionic theories are considered. In particular, the boundary functions for the N = 1 and N = 2 super sinh-Gordon models are constructed and shown to generate the Backlund transformations for its soliton solutions. As a new and interesting example, a solution with an incoming boson and an outgoing fermion for the N = 1 case is presented. The resulting integrable models are shown to be invariant under supersymmetric transformation.

Molecular models of cyclin-dependent kinase 1 complexed with inhibitors

Roscovitine and flavopiridol have been shown to potently inhibit cyclin-dependent kinase 1 and 2 (CDK1 and 2). The structures of CDK2 complexed with roscovitine and deschoroflavopiridol have been reported, however no crystallographic structure is available for complexes of CDK1 with inhibitors. The present work describes two molecular models for the binary complexes CDK1:roscovitine and CDK1:flavopiridol. These structural models indicate that both inhibitors strongly bind to the ATP-binding pocket of CDKI and structural comparison of the CDK complexes correlates the structures with differences in inhibition of these CDKs by flavopiridol and roscovitine. This article explains the structural basis for the observed differences in activity of these inhibitors. (C) 2004 Elsevier B.V. All rights reserved.

THE CONSERVED CHARGES AND INTEGRABILITY OF THE CONFORMAL AFFINE TODA MODELS

We construct infinite sets of local conserved charges for the conformal affine Toda model. The technique involves the abelianization of the two-dimensional gauge potentials satisfying the zero-curvature form of the equations of motion. We find two infinite sets of chiral charges and apart from two lowest spin charges, all the remaining ones do not possess chiral densities. Charges of different chiralities Poisson commute among themselves. We discuss the algebraic properties of these charges and use the fundamental Poisson bracket relation to show that the charges conserved in time are in involution. Connections to other Toda models are established by taking particular limits.

Integrable deformations of strings on symmetric spaces

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

Egg production curve fitting using nonlinear models for selected and nonselected lines of White Leghorn hens

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

Comparison of logistic and neural network models to fit to the egg production curve of White Leghorn hens

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Use of Poisson spatiotemporal regression models for the Brazilian Amazon Forest: malaria count data

INTRODUÇÃO: A malaria é uma doença endêmica na região da Amazônia Brasileira, e a detecção de possíveis fatores de risco pode ser de grande interesse às autoridades em saúde pública. O objetivo deste artigo é investigar a associação entre variáveis ambientais e os registros anuais de malária na região amazônica usando métodos bayesianos espaço-temporais. MÉTODOS: Utilizaram-se modelos de regressão espaço-temporais de Poisson para analisar os dados anuais de contagem de casos de malária entre os anos de 1999 a 2008, considerando a presença de alguns fatores como a taxa de desflorestamento. em uma abordagem bayesiana, as inferências foram obtidas por métodos Monte Carlo em cadeias de Markov (MCMC) que simularam amostras para a distribuição conjunta a posteriori de interesse. A discriminação de diferentes modelos também foi discutida. RESULTADOS: O modelo aqui proposto sugeriu que a taxa de desflorestamento, o número de habitants por km² e o índice de desenvolvimento humano (IDH) são importantes para a predição de casos de malária. CONCLUSÕES: É possível concluir que o desenvolvimento humano, o crescimento populacional, o desflorestamento e as alterações ecológicas associadas a estes fatores estão associados ao aumento do risco de malária. Pode-se ainda concluir que o uso de modelos de regressão de Poisson que capturam o efeito temporal e espacial em um enfoque bayesiano é uma boa estratégia para modelar dados de contagem de malária.

GLOBAL DYNAMICS of THE LORENZ SYSTEM WITH INVARIANT ALGEBRAIC SURFACES

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)