Effective atomic orbitals for fuzzy atoms

The method of extracting effective atomic orbitals and effective minimal basis sets from molecular wave function characterizing the state of an atom in a molecule is developed in the framework of the "fuzzy" atoms. In all cases studied, there were as many effective orbitals that have considerable occupation numbers as orbitals in the classical minimal basis. That is considered to be of high conceptual importance

Energy partitioning for "fuzzy" atoms

The total energy of molecule in terms of 'fuzzy atoms' presented as sum of one- and two-atomic energy components is described. The divisions of three-dimensional physical space into atomic regions exhibit continuous transition from one to another. The energy components are on chemical energy scale according to proper definitions. The Becke's integration scheme and weight function determines realization of method which permits effective numerical integrations

Proposta de reconhecimento de padrão de conforto em clientes com pênfigo vulgar utilizando a Lógica Fuzzy

Propuesta de reconocimiento del estándar de comodidad en clientes con pénfigo vulgar utilizando la Lógica FuzzyO objetivo é propor a Lógica Fuzzy para reconhecimento de padrões de conforto de pessoas submetidas a uma tecnologia de cuidar em Enfermagem por apresentarem pênfigo vulgar, uma doença cutâneo-mucosa rara que acomete principalmente adultos. A proposta aplicável em métodos experimentais com sujeitos submetidos à comparação quali-quantitativa (taxonomia/pertinência) do padrão de conforto antes e depois da intervenção. Requer o registro em escala cromática correspondente à intensidade de cada atributo: dor; mobilidade e comprometimento da autoimagem. As regras Fuzzy estabelecidas pela máquina de inferência definem o padrão de conforto em desconforto máximo, mediano e mínimo, traduzindo a eficácia dos cuidados de Enfermagem. Apesar de pouco utilizada na área de Enfermagem, essa lógica viabiliza pesquisas sem dimensionamento a priori do número de sujeitos em função da estimação de parâmetros populacionais. Espera-se avaliação do padrão de conforto do cliente com pênfigo diante da tecnologia aplicada de forma personalizada, conduzindo a avaliação global.

Measures of fit in multiple correspondence analysis of crisp and fuzzy coded data

When continuous data are coded to categorical variables, two types of coding are possible: crisp coding in the form of indicator, or dummy, variables with values either 0 or 1; or fuzzy coding where each observation is transformed to a set of "degrees of membership" between 0 and 1, using co-called membership functions. It is well known that the correspondence analysis of crisp coded data, namely multiple correspondence analysis, yields principal inertias (eigenvalues) that considerably underestimate the quality of the solution in a low-dimensional space. Since the crisp data only code the categories to which each individual case belongs, an alternative measure of fit is simply to count how well these categories are predicted by the solution. Another approach is to consider multiple correspondence analysis equivalently as the analysis of the Burt matrix (i.e., the matrix of all two-way cross-tabulations of the categorical variables), and then perform a joint correspondence analysis to fit just the off-diagonal tables of the Burt matrix - the measure of fit is then computed as the quality of explaining these tables only. The correspondence analysis of fuzzy coded data, called "fuzzy multiple correspondence analysis", suffers from the same problem, albeit attenuated. Again, one can count how many correct predictions are made of the categories which have highest degree of membership. But here one can also defuzzify the results of the analysis to obtain estimated values of the original data, and then calculate a measure of fit in the familiar percentage form, thanks to the resultant orthogonal decomposition of variance. Furthermore, if one thinks of fuzzy multiple correspondence analysis as explaining the two-way associations between variables, a fuzzy Burt matrix can be computed and the same strategy as in the crisp case can be applied to analyse the off-diagonal part of this matrix. In this paper these alternative measures of fit are defined and applied to a data set of continuous meteorological variables, which are coded crisply and fuzzily into three categories. Measuring the fit is further discussed when the data set consists of a mixture of discrete and continuous variables.

Fuzzy coding in constrained ordinations

Canonical correspondence analysis and redundancy analysis are two methods of constrained ordination regularly used in the analysis of ecological data when several response variables (for example, species abundances) are related linearly to several explanatory variables (for example, environmental variables, spatial positions of samples). In this report I demonstrate the advantages of the fuzzy coding of explanatory variables: first, nonlinear relationships can be diagnosed; second, more variance in the responses can be explained; and third, in the presence of categorical explanatory variables (for example, years, regions) the interpretation of the resulting triplot ordination is unified because all explanatory variables are measured at a categorical level.

Biplots of fuzzy coded data

A biplot, which is the multivariate generalization of the two-variable scatterplot, can be used to visualize the results of many multivariate techniques, especially those that are based on the singular value decomposition. We consider data sets consisting of continuous-scale measurements, their fuzzy coding and the biplots that visualize them, using a fuzzy version of multiple correspondence analysis. Of special interest is the way quality of fit of the biplot is measured, since it is well-known that regular (i.e., crisp) multiple correspondence analysis seriously under-estimates this measure. We show how the results of fuzzy multiple correspondence analysis can be defuzzified to obtain estimated values of the original data, and prove that this implies an orthogonal decomposition of variance. This permits a measure of fit to be calculated in the familiar form of a percentage of explained variance, which is directly comparable to the corresponding fit measure used in principal component analysis of the original data. The approach is motivated initially by its application to a simulated data set, showing how the fuzzy approach can lead to diagnosing nonlinear relationships, and finally it is applied to a real set of meteorological data.

Low-replicating viruses and strong anti-viral immune response associated with prolonged disease control in a superinfected HIV-1 LTNP elite controller.

OBJECTIVE: To study the causes for the lack of clinical progression in a superinfected HIV-1 LTNP elite controller patient.¦METHODOLOGY AND PRINCIPAL FINDINGS: We studied host genetic, virological and immunological factors associated with viral control in a SI long term non progressor elite controller (LTNP-EC). The individual contained both viruses and maintained undetectable viral loads for >20 years and he did not express any of the described host genetic polymorphisms associated with viral control. None of four full-length gp160 recombinants derived from the LTNP-EC replicated in heterologous peripheral blood mononuclear cells. CTL responses after SI were maintained in two samples separated by 9 years and they were higher in breadth and magnitude than responses seen in most of 250 treatment naïve patients and also 25 controller subjects. The LTNP-EC showed a neutralization response, against 4 of the 6 viruses analyzed, superior to other ECs.¦CONCLUSIONS: The study demonstrated that a strong and sustained cellular and humoral immune response and low replicating viruses are associated with viral control in the superinfected LTNP-EC.

Elaboració d'indicadors sobre SAGE Logic Class

El treball desenvolupat ha consistit en analitzar el sistema d'informació Logic Class sota la perspectiva de la necessitat de construir un sistema d'indicadors (quadre de comandament operatiu) que integri informació de les diferents fonts de dades.

Application of fuzzy-rule-based postprocessing to correlation methods in pattern recognition

One of the most important problems in optical pattern recognition by correlation is the appearance of sidelobes in the correlation plane, which causes false alarms. We present a method that eliminate sidelobes of up to a given height if certain conditions are satisfied. The method can be applied to any generalized synthetic discriminant function filter and is capable of rejecting lateral peaks that are even higher than the central correlation. Satisfactory results were obtained in both computer simulations and optical implementation.

Espectros Vis-NIR do Solo e Fuzzy K-Médias Aplicados na Delimitação de Unidades de Mapeamento de Solos em Topossequências

RESUMO O conhecimento dos solos é cada vez mais importante para que o uso dele seja realizado corretamente na agropecuária, no crescimento urbano, na conservação dos recursos naturais, entre outros. Entretanto, verifica-se carência de profissionais qualificados para a caracterização e os mapeamentos pedológicos, particularmente em escalas de maior detalhamento. Essa carência, aliada aos avanços das ferramentas computacionais e do sensoriamento remoto, promoveu o surgimento do Mapeamento Digital de Solos (MDS), que busca auxiliar e agilizar as atividades de levantamento pedológico. Assim, este trabalho objetivou desenvolver uma metodologia de delimitaçao de unidades de solos em topossequências por meio do comportamento espectral dos solos no comprimento de onda do Visível-Infravermelho Próximo (Vis-NIR). A metodologia espectral consistiu na obtenção das curvas espectrais dos solos por meio do espectrorradiômetro FieldSpecPro e da redução do número de informações espectrais por meio da análise de Componentes Principais, seguida de agrupamento das amostras mediante método fuzzy k-médias. Foram selecionadas cinco topossequências com pontos equidistantes de 30 m para caracterizar as classes de solos e amostragens. Foram descritas oito classes de solos distintas, que tiveram caracterização detalhada e classificação em perfis pedológicos. No restante dos pontos, a caracterização das classes de solos foi feita com base na classificação dos solos realizada nos perfis pedológicos, com coleta de amostras por meio de tradagens nas profundidades de 0,00-0,20 e 0,80-1,00 m, perfazendo o total de 162 amostras ao longo das cinco topossequências. As amostras foram analisadas pelas metodologias convencional e espectral, para que os resultados pudessem ser comparados e avaliados. Dessa forma, foram realizadas análises morfológicas, físicas (textura) e químicas nas amostras de solo. Das cinco topossequências estudadas, os resultados foram satisfatoriamente semelhantes; alguns solos não foram perfeitamente individualizados pela metodologia espectral, em razão da grande semelhança em seus comportamentos espectrais, como demonstrado pelo Latossolo Vermelho Férrico e Nitossolo Vermelho Férrico. A metodologia espectral foi capaz de diferenciar solos com resposta espectral distinta e estabelecer limites nas topossequências, apresentando grande potencial para ser implementada em levantamentos pedológicos.

Prolonged seroconversion in an elite controller of HIV-1 infection.

HIV-1 diagnosis is usually based on the detection of specific antibodies, appearing in a time-determined pattern following the infection. We describe a prolonged HIV-1 seroconversion in an elite controller (defined as having HIV-1 RNA persistently <50copies/ml while untreated). HIV-1 diagnosis was delayed and complicated by this atypical evolution.

Acute life-threatening extrinsic allergic alveolitis in a paint controller.

BACKGROUND: Occupational diisocyanate-induced extrinsic allergic alveolitis (EAA) is a rare and probably underestimated diagnosis. Two acute occupational EAA cases have been described in this context, but neither of them concerned hexamethylene diisocyanate (HDI) exposure. AIMS: To investigate the cause of a life-threatening EAA arising at work in a healthy 30-year-old female paint quality controller. METHODS: Occupational medical assessment, workplace evaluation, airborne and biological monitoring and immunodermatological tests. RESULTS: Diagnosis of EAA relied on congruent clinical and radiological information, confirmed occupational HDI exposure and positive IgG antibodies and patch tests. The patient worked in a small laboratory for 7 years, only occasionally using HDI-containing hardeners. While working with HDI for 6 h, she developed breathlessness, rapidly progressing to severe respiratory failure. Workplace HDI airborne exposure values ranged from undetectable levels to 4.25 p.p.b. Biological monitoring of urinary hexamethylene diamine in co-workers ranged from <1.0 to 15.4 μg/g creatinine. Patch tests 8 months later showed delayed skin reaction to HDI at 48 h. Subsequent skin biopsy showed spongiotic dermatitis with infiltration of CD4(+) and CD8(+) T cells. CONCLUSIONS: We believe this is the first reported case of acute life-threatening EAA following exposure to HDI. Low concentrations of airborne HDI and relatively high urinary hexamethylene diamine suggest significant skin absorption of HDI could have significantly contributed to the development of this acute occupational EAA.