Propriedades termo-eletrônicas da molécula do DNA

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Transporte eletrônico e propriedades termodinâmicas de nanobiomoléculas

We use a tight-binding formulation to investigate the transmissivity and the currentvoltage (I_V) characteristics of sequences of double-strand DNA molecules. In order to reveal the relevance of the underlying correlations in the nucleotides distribution, we compare theresults for the genomic DNA sequence with those of arti_cial sequences (the long-range correlated Fibonacci and RudinShapiro one) and a random sequence, which is a kind of prototype of a short-range correlated system. The random sequence is presented here with the same _rst neighbors pair correlations of the human DNA sequence. We found that the long-range character of the correlations is important to the transmissivity spectra, although the I_V curves seem to be mostly inuenced by the short-range correlations. We also analyze in this work the electronic and thermal properties along an _-helix sequence obtained from an _3 peptide which has the uni-dimensional sequence (Leu-Glu-Thr- Leu-Ala-Lys-Ala)3. An ab initio quantum chemical calculation procedure is used to obtain the highest occupied molecular orbital (HOMO) as well as their charge transfer integrals, when the _-helix sequence forms two di_erent variants with (the so-called 5Q variant) and without (the 7Q variant) _brous assemblies that can be observed by transmission electron microscopy. The di_erence between the two structures is that the 5Q (7Q) structure have Ala ! Gln substitution at the 5th (7th) position, respectively. We estimate theoretically the density of states as well as the electronic transmission spectra for the peptides using a tight-binding Hamiltonian model together with the Dyson's equation. Besides, we solve the time dependent Schrodinger equation to compute the spread of an initially localized wave-packet. We also compute the localization length in the _nite _-helix segment and the quantum especi_c heat. Keeping in mind that _brous protein can be associated with diseases, the important di_erences observed in the present vi electronic transport studies encourage us to suggest this method as a molecular diagnostic tool

Parâmetro de regularização em problemas inversos: estudo numérico com a transformada de Radon

In general, an inverse problem corresponds to find a value of an element x in a suitable vector space, given a vector y measuring it, in some sense. When we discretize the problem, it usually boils down to solve an equation system f(x) = y, where f : U Rm ! Rn represents the step function in any domain U of the appropriate Rm. As a general rule, we arrive to an ill-posed problem. The resolution of inverse problems has been widely researched along the last decades, because many problems in science and industry consist in determining unknowns that we try to know, by observing its effects under certain indirect measures. Our general subject of this dissertation is the choice of Tykhonov´s regulaziration parameter of a poorly conditioned linear problem, as we are going to discuss on chapter 1 of this dissertation, focusing on the three most popular methods in nowadays literature of the area. Our more specific focus in this dissertation consists in the simulations reported on chapter 2, aiming to compare the performance of the three methods in the recuperation of images measured with the Radon transform, perturbed by the addition of gaussian i.i.d. noise. We choosed a difference operator as regularizer of the problem. The contribution we try to make, in this dissertation, mainly consists on the discussion of numerical simulations we execute, as is exposed in Chapter 2. We understand that the meaning of this dissertation lays much more on the questions which it raises than on saying something definitive about the subject. Partly, for beeing based on numerical experiments with no new mathematical results associated to it, partly for being about numerical experiments made with a single operator. On the other hand, we got some observations which seemed to us interesting on the simulations performed, considered the literature of the area. In special, we highlight observations we resume, at the conclusion of this work, about the different vocations of methods like GCV and L-curve and, also, about the optimal parameters tendency observed in the L-curve method of grouping themselves in a small gap, strongly correlated with the behavior of the generalized singular value decomposition curve of the involved operators, under reasonably broad regularity conditions in the images to be recovered

What is a Fuzzy Bi-implication?

In order to make this document self-contained, we first present all the necessary theory as a background. Then we study several definitions that extended the classic bi-implication in to the domain of well stablished fuzzy logics, namely, into the [0; 1] interval. Those approaches of the fuzzy bi-implication can be summarized as follows: two axiomatized definitions, which we proved that represent the same class of functions, four defining standard (two of them proposed by us), which varied by the number of different compound operators and what restrictions they had to satisfy. We proved that those defining standard represent only two classes of functions, having one as a proper subclass of the other, yet being both a subclass of the class represented by the axiomatized definitions. Since those three clases satisfy some contraints that we judge unnecessary, we proposed a new defining standard free of those restrictions and that represents a class of functions that intersects with the class represented by the axiomatized definitions. By this dissertation we are aiming to settle the groundwork for future research on this operator.

On Fuzzy Implication Classes - Towards Extensions of Fuzzy Rule-Based Systems

Atualmente, há diferentes definições de implicações fuzzy aceitas na literatura. Do ponto de vista teórico, esta falta de consenso demonstra que há discordâncias sobre o real significado de "implicação lógica" nos contextos Booleano e fuzzy. Do ponto de vista prático, isso gera dúvidas a respeito de quais "operadores de implicação" os engenheiros de software devem considerar para implementar um Sistema Baseado em Regras Fuzzy (SBRF). Uma escolha ruim destes operadores pode implicar em SBRF's com menor acurácia e menos apropriados aos seus domínios de aplicação. Uma forma de contornar esta situação e conhecer melhor os conectivos lógicos fuzzy. Para isso se faz necessário saber quais propriedades tais conectivos podem satisfazer. Portanto, a m de corroborar com o significado de implicação fuzzy e corroborar com a implementação de SBRF's mais apropriados, várias leis Booleanas têm sido generalizadas e estudadas como equações ou inequações nas lógicas fuzzy. Tais generalizações são chamadas de leis Boolean-like e elas não são comumente válidas em qualquer semântica fuzzy. Neste cenário, esta dissertação apresenta uma investigação sobre as condições suficientes e necessárias nas quais três leis Booleanlike like — y ≤ I(x, y), I(x, I(y, x)) = 1 e I(x, I(y, z)) = I(I(x, y), I(x, z)) — se mantém válidas no contexto fuzzy, considerando seis classes de implicações fuzzy e implicações geradas por automorfismos. Além disso, ainda no intuito de implementar SBRF's mais apropriados, propomos uma extensão para os mesmos

O problema do caixeiro alugador com coleta de bonus: um estudo algoritmico

This paper introduces a new variant of the Traveling Car Renter Problem, named Prizecollecting Traveling Car Renter Problem. In this problem, a set of vertices, each associated with a bonus, and a set of vehicles are given. The objective is to determine a cycle that visits some vertices collecting, at least, a pre-defined bonus, and minimizing the cost of the tour that can be traveled with different vehicles. A mathematical formulation is presented and implemented in a solver to produce results for sixty-two instances. The proposed problem is also subject of an experimental study based on the algorithmic application of four metaheuristics representing the best adaptations of the state of the art of the heuristic programming.We also provide new local search operators which exploit the neighborhoods of the problem, construction procedures and adjustments, created specifically for the addressed problem. Comparative computational experiments and performance tests are performed on a sample of 80 instances, aiming to offer a competitive algorithm to the problem. We conclude that memetic algorithms, computational transgenetic and a hybrid evolutive algorithm are competitive in tests performed

Trajetória da análise de acidentes: o paradigma tradicional e os primórdios da ampliação da análise

A abordagem tradicional de acidentes pressupõe que a obediência a procedimentos e normas protege o sistema contra acidentes e que esses eventos decorrem de comportamentos faltosos dos trabalhadores, originados, em parte, de aspectos de suas personalidades. A identificação desses comportamentos baseia-se em comparação com o padrão que toma por base o jeito seguro de fazer, conhecido por antecipação pelos especialistas em segurança. Nas últimas décadas, surgem visões alternativas à abordagem tradicional, ampliando o perímetro das análises de acidentes e abrindo caminho para questionamentos de seus pressupostos relativos às concepções de ser humano e de trabalho. Os novos enfoques ajudam a evidenciar os resultados estéreis das práticas tradicionais: culpar e punir as vítimas, recomendar treinamentos e normas mantendo inalterados os sistemas em que ocorreram os acidentes. As novas abordagens sugerem o esgotamento do enfoque tradicional e ressaltam a importância da contribuição dos operadores para a segurança dos sistemas.

Uso do procedimento de bissecção temporal na avaliação de idosos com doença de Alzheimer: uma revisão sistemática

OBJETIVO: Realizar revisão sistemática de artigos que utilizaram o método de bissecção, para avaliar a percepção de tempo em idosos com doença de Alzheimer e analisar seus parâmetros. MÉTODO: As buscas dos artigos foram conduzidas no período de março a maio de 2011, nas seguintes bases de dados: Web of Science, Science Direct on Line, Biological Abstracts, PsychoInfo e Medline. As palavras-chave e operadores booleanos foram: interval timing ou perception of time ou time discrimination ou reproduction of time e Alzheimer's disease. Também foram realizadas buscas manuais nas referências dos artigos selecionados. RESULTADOS: Quatro artigos contemplavam todos os critérios de inclusão, nos quais foram encontradas grandes variações nos parâmetros utilizados no método. CONCLUSÃO: Pacientes com doença de Alzheimer apresentam prejuízos nas tarefas de bissecção de tempo, que podem ser explicados pelo declínio gradual nas habilidades que são utilizadas no teste de percepção de tempo. Há grandes variações nos intervalos de tempo utilizados. Neste contexto, há necessidade de mais estudos, controlados e randomizados, para investigar potenciais efeitos das variações nos intervalos de tempo do método de bissecção. Os resultados de tais estudos poderão contribuir para o estabelecimento de parâmetros mais adequados e fidedignos.

Atividade física e sintomas neuropsiquiátricos em pacientes com demência de Alzheimer

Is common the presence of neuropsychiatric symptoms in Alzheimer's disease (AD), this is resulted of anatomical and biochemical changes in the brain. The objective of present study was to look for papers relating physical activity and neuropsychiatric symptoms through a systematic review. The following data bases was accessed: Academic Search Premier, Biological Abstracts, Medline, PsycINFO, Pubmed, Scielo, Science direct on line, Sport Discus and Web of Science, using the following key-words: (Neuropsychiatric disturbances OR Neuropsychiatric symptoms OR Neuropsychological disturbances OR Aberrant behavior OR Aberrant behaviour OR Behavior disturbances OR Behaviour disturbances OR Behavior management OR Behaviour management OR Disruptive behavior OR Disruptive behaviour) and (Alzheimer) and (Exercise OR Motor intervention OR training OR Physical activity OR fitness), besides crossing the references in the selected articles. Eight studies had filled the inclusion criteria. It was possible to conclude there are evidences of positive results for agitation and sleep disturbances in patients with AD. However, there's no consensus of what kind of activity is better for these patients.

MATHEMATICA notebook for computing tetrahedral finite element shape functions and matrices for the Helmholtz equation

A MATHEMATICA notebook to compute the elements of the matrices which arise in the solution of the Helmholtz equation by the finite element method (nodal approximation) for tetrahedral elements of any approximation order is presented. The results of the notebook enable a fast computational implementation of finite element codes for high order simplex 3D elements reducing the overheads due to implementation and test of the complex mathematical expressions obtained from the analytical integrations. These matrices can be used in a large number of applications related to physical phenomena described by the Poisson, Laplace and Schrodinger equations with anisotropic physical properties.

Thermodynamics of a Peyrard-Bishop One-Dimensional Lattice with On-site Hump Potential

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Solutions of the Fokker-Planck equation for a Morse isospectral potential

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Variational supersymmetric approach to evaluate Fokker-Planck probability

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A General Solution of the Fokker-Planck Equation

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A new type of confinement for the Morse potential

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