Continuously deformable topological structure

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Disclosing the generic behavior of topological solutions: An orbit-based approach

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Nonpolynomial potentials with deformable topological structures

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo teórico QTAIM e DFT dos compostos de coordenação: efeito quelato, titanocenos e ligação química

This work is a study of coordination compounds by quantum theory of atoms in molecules (QTAIM), based on the topological analysis of the electron density of molecular systems, both theoretically and experimentally obtained. The coordination chemistry topics which were studied are the chelate effect, bent titanocene and chemical bond in coordination complexes. The chelate effect was investigated according to topological and thermodynamic parameters. The exchange of monodentate ligands on polydentate ligands from same transition metal increases the stability of the complex both from entropy and enthalpy contributions. In some cases, the latter had a higher contribution to the stability of the complex in comparison with entropy. This enthalpic contribution is explained according to topological analysis of the M-ligand bonds where polidentate complex had higher values of electron density of bond critical point, Laplacian of electron density of bond critical point and delocalization index (number of shared electrons between two atoms). In the second chapter, was studied bent titanocenes with bulky cyclopentadienyl derivative π-ligand. The topological study showed the presence of secondary interactions between the atoms of π-ligands or between atoms of π-ligand and -ligand. It was found that, in the case of titanocenes with small difference in point group symmetry and with bulky ligands, there was an nearly linear relationship between stability and delocalization index involving the ring carbon atoms (Cp) and the titanium. However, the titanocene stability is not only related to the interaction between Ti and C atoms of Cp ring, but secondary interactions also play important role on the stability of voluminous titanocenes. The third chapter deals with the chemical bond in coordination compounds by means of QTAIM. The quantum theory of atoms in molecules so far classifies bonds and chemical interactions in two categories: closed shell interaction (ionic bond, hydrogen bond, van der Waals interaction, etc) and shared interaction (covalent bond). Based on topological parameters such as electron density, Laplacian of electron density, delocalization index, among others, was classified the chemical bond in coordination compounds as an intermediate between closed shell and shared interactions

Life Expectancy and Entropy Values for Workers of Pachycondyla striata (Hymenoptera: Formicidae: Ponerinae)

We investigated the life expectancy and entropy value for workers of the ant Pachycondyla striata. Seven nests were excavated and these colonies were raised in laboratory conditions. The workers have a mean life-span of 74.48 days, these have a high mortality rate in the period of 1 to 85 days with a high entropy value of H = 0.611, confirming the number of deaths in the initial period.

The cross-entropy method and its application to minimize the ripple of magnetic levitation forces of a maglev system

This paper explores firstly the potential of a new evolutionary method - the Cross-Entropy (CE) method in solving continuous inverse electromagnetic problems. For this purpose, an adaptive updating formula for the smoothing parameter, some mutation operation, and a new termination criterion are proposed. The proposed CE based metaheuristics is applied to reduce the ripple of the magnetic levitation forces of a prototype Maglev system. The numerical results have shown that the ripple of the magnetic levitation forces of the prototype system is reduced significantly after the design optimization using the proposed algorithm.

Maximum entropy, fractal dimension and lacunarity in quantification of cellular rejection in myocardial biopsy of patients submitted to heart transplantation

This paper presents a method for the quantification of cellular rejection in endomyocardial biopsies of patients submitted to heart transplant. The model is based on automatic multilevel thresholding, which employs histogram quantification techniques, histogram slope percentage analysis and the calculation of maximum entropy. The structures were quantified with the aid of the multi-scale fractal dimension and lacunarity for the identification of behavior patterns in myocardial cellular rejection in order to determine the most adequate treatment for each case.

Role of enthalpy and entropy in moisture sorption behavior of pineapple pulp powder produced by different drying methods

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

The Influence of Solutes on the Enthalpy/Entropy Change of the Actinomycin D Binding to DNA: Hydration, Energy Compensation and Long-Range Deformation on DNA

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Topography of funneled landscapes determines the thermodynamics and kinetics of protein folding

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

Topological K-equivalence of analytic function-germs

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Finiteness theorem for topological contact equivalence of map germs

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Integrable hierarchy for multidimensional Toda equations and topological-anti-topological fusion

The negative symmetry flows are incorporated into the Riemann-Hilbert problem for the homogeneous A(m)-hierarchy and its (gl) over cap (m + 1, C) extension.A loop group automorphism of order two is used to define a sub-hierarchy of (gl) over cap (m + 1, C) hierarchy containing only the odd symmetry flows. The positive and negative flows of the +/-1 grade coincide with equations of the multidimensional Toda model and of topological-anti-topological fusion. (C) 2002 Elsevier B.V. B.V. All rights reserved.

On the entropy operator for the general SU(1,1) TFD formulation

In this Letter, an entropy operator for the general unitary SU(1, 1) TFD formulation is proposed and used to lead a bosonic system from zero to finite temperature. Namely, considering the closed bosonic string as the target system, the entropy operator is used to construct the thermal vacuum. The behaviour of such a state under the breve conjugation rules is analyzed and it was shown that the breve conjugation does not affect the thermal effects. From this thermal vacuum the thermal energy, the entropy and the free energy of the closed bosonic string are calculated and the appropriated thermal distribution for the system is found after the free energy minimization. (C) 2004 Elsevier B.V. All rights reserved.

Quadratic gravity in (2+1)D with a topological Chern-Simons term

Three-dimensional quadratic gravity, unlike general relativity in (2+1)D, is dynamically nontrivial and has a well behaved nonrelativistic potential. Here we analyse the changes that occur when a topological Chem-Simons term is added to this theory. It is found that the harmless massive scalar mode of the latter gives rise to a troublesome massive spin-0 ghost, while the massive spin-2 ghost is replaced by two massive physical particles both of spin 2. We also found that light deflection does not have the 'wrong sign' such as in the framework of three-dimensional quadratic gravity.