Aplicação da equação de Poisson-Boltzmann modificada em sistemas biológicos: análise da partição iônica em um eritrócito

• Autor(a) principal: Barbosa, Nathalia Salles Vernin
• Data de Publicação: 2014
• Tipo de documento: Dissertação
• Idioma: por
• Título da fonte: Biblioteca Digital de Teses e Dissertações da UERJ
• Texto Completo: http://www.bdtd.uerj.br/handle/1/12023
• topic: Poisson-Boltzmann equation; erythrocyte; finite elements; ionic partition; Equação de Poisson-Boltzmann; eritrócito; elementos finitos; partição iônica; CNPQ::ENGENHARIAS::ENGENHARIA QUIMICA::OPERACOES INDUSTRIAIS E EQUIPAMENTOS PARA ENGENHARIA QUIMICA

In this work, the ionic partition and the membrane potential in an erythrocyte are analyzed by modified Poisson-Boltzmann equation, considering non-electrostatic interactions between ions and macromolecules as well as the β potential. This potential is attributed to the difference in chemical potential reference states between intracellular and extracellular environment and the active transport of ions. The Gibbs-Donnan potential is also studied usingthe Poisson-Boltzmann equation with fixed chargeon a system containing a semipermeable membrane. The second order spline finite elements methodin a steady one-dimensional system is applied to solve the Poisson-Boltzmann equation in Cartesian and spherical coordinates.The dispersion parameter of the non-electrostatic interactions is calculated by Lifshitztheory. The results regarding the Gibbs-Donnan potential are adequate and can be calculated by the Poisson-Boltzmann equation. In a system containing an erythrocyte, when the β potential is considered equal to zero, it doesn t check the ionic difference observed experimentally between the intracellular and extracellular environment. Thus, non-electrostatic interactions calculated by Lifshitz theory have only a small influence in the high K+level inside cells while keeping Na+ outside