Hydration-dependent conformational states of hemoglobin. Equilibrium and kinetic behavior

The equilibrium and kinetics of methemoglobin conversion to hemichrome induced by dehydration were investigated by visible absorption spectroscopy. Below about 0.20 g water per g hemoglobin only hemichrome was present in the sample; above this value, an increasing proportion of methemoglobin appeared with the increase in hydration. The transition between the two derivatives showed a time-dependent biphasic behavior and was observed to be reversible. The rates obtained for the transition of methemoglobin to hemichrome were 0.31 and 1.93 min-1 and for hemichrome to methemoglobin 0.05 and 0.47 min-1. We suggest that hemichrome is a reversible conformational state of hemoglobin and that the two rates observed for the transition between the two derivatives reflect the α- and β-chains of hemoglobin.

On the solution of mathematical programming problems with equilibrium constraints

Mathematical programming problems with equilibrium constraints (MPEC) are nonlinear programming problems where the constraints have a form that is analogous to first-order optimality conditions of constrained optimization. We prove that, under reasonable sufficient conditions, stationary points of the sum of squares of the constraints are feasible points of the MPEC. In usual formulations of MPEC all the feasible points are nonregular in the sense that they do not satisfy the Mangasarian-Fromovitz constraint qualification of nonlinear programming. Therefore, all the feasible points satisfy the classical Fritz-John necessary optimality conditions. In principle, this can cause serious difficulties for nonlinear programming algorithms applied to MPEC. However, we show that most feasible points do not satisfy a recently introduced stronger optimality condition for nonlinear programming. This is the reason why, in general, nonlinear programming algorithms are successful when applied to MPEC.

Variedade riemannianas e imersão do tipo Nash: um ensaio e aplicações

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Amphiphilic planar membranes in ionic equilibrium: a study of pH position-dependent values

The pH values near a planar dissociating membrane are studied under a mean field approximation using the Poisson-Boltzmann equation and its linear form. The equations are solved in planar symmetry with the consideration that the charge density on the dissociating membrane surface results from an equilibrium process with the neighboring electrolyte. Results for the membrane dissociation degree are presented as a function of the electrolyte ionic strength and membrane surface charge density. Our calculations indicate that pH values have an appreciable variation within 2 nm from the membrane. It is shown that the dissociation process is enhanced due to the presence of bivalent ions and that pH values acquire better stability than in an electrolyte containing univalent ions.

Estimação de metas estratégicas por meio de análise por envoltória de dados e modelo da Barganha de Nash: aplicação na área de saúde publica

Pós-graduação em Engenharia Mecânica - FEG

Thermochemical equilibrium modeling of a biomass downdraft gasifier: Constrained and unconstrained non-stoichiometric models

The objective of this work is to develop a non-stoichiometric equilibrium model to study parameter effects in the gasification process of a feedstock in downdraft gasifiers. The non-stoichiometric equilibrium model is also known as the Gibbs free energy minimization method. Four models were developed and tested. First a pure non-stoichiometric equilibrium model called M1 was developed; then the methane content was constrained by correlating experimental data and generating the model M2. A kinetic constraint that determines the apparent gasification rate was considered for model M3 and finally the two aforementioned constraints were implemented together in model M4. Models M2 and M4 showed to be the more accurate among the four developed models with mean RMS (root mean square error) values of 1.25 each.Also the gasification of Brazilian Pinus elliottii in a downdraft gasifier with air as gasification agent was studied. The input parameters considered were: (a) equivalence ratio (0.28-035); (b) moisture content (5-20%); (c) gasification time (30-120 min) and carbon conversion efficiency (80-100%). (C) 2014 Elsevier Ltd. All rights reserved.

Thermochemical equilibrium modeling of biomass downdraft gasifier: Stoichiometric models

The aim of this work is to develop stoichiometric equilibrium models that permit the study of parameters effect in the gasification process of a particular feedstock. In total four models were tested in order to determine the syngas composition. One of these four models, called M2, was based on the theoretical equilibrium constants modified by two correction factors determined using published experimental data. The other two models, M3 and M4 were based in correlations, while model M4 was based in correlations to determine the equilibrium constants, model M3 was based in correlations that relate the H-2, CO and CO2 content on the synthesis gas. Model M2 proved to be the more accurate and versatile among these four models, and also showed better results than some previously published models. Also a case study for the gasification of a blend of hardwood chips and glycerol at 80% and 20% respectively, was performed considering equivalence ratios form 0.3 to 0.5, moisture contents from 0%-20% and oxygen percentages in the gasification agent of 100%, 60% and 21%. (C) 2013 Elsevier Ltd. All rights reserved.

Utilização do modelo da barganha de Nash na seleção de carteiras

This paper discussed the model of Nash bargaining (NASH, 1950, 1953), which its arbitration function is invariant for the linear transformations. A more robust model was proposed with respect to the incommensurable effect. The result obtained by the optimization process was not influenced by the units or the amplitude values of these measures. The risk and the return is measured in portfolios of assets and defined a risk metric, return and a method to handle the risk and return. For this, we made a review on the main characteristics of Brazilian industry funds and their evolution over the past years, in addition to treating on the risk in the financial market, the importance of portfolio selection and the Markowitz Model. Are made closing remarks, an analysis of the results, some suggests, concerns and how such concerns can be improved and / or explored in future studies

Role of peptide peptide interactions in aggregation: protonectins observed in equilibrium and replica exchange molecular dynamics simulations

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

Chaotic Dynamics in a Low-Energy Transfer Strategy to the Equilateral Equilibrium Points in the Earth-Moon System

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

Evaluating the equilibrium association constant between artinM lectin and myeloid leukemia cells by impedimetric and piezoelectric label free approaches

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