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Master's Dissertation
DOI
Document
Author
Full name
Yan Borges Barreto
E-mail
Institute/School/College
Knowledge Area
Date of Defense
Published
São Paulo, 2019
Supervisor
Committee
Alencar, Adriano Mesquita (President)
Miranda Filho, Manoel de Arcisio
Pinto, Reynaldo Daniel
Title in Portuguese
Modelagem de mecânica estatística de processos de transporte através da membrana celular
Keywords in Portuguese
antiporte
cotransporte
Mecânica estatística
simporte
simulação de Monte Carlo
Abstract in Portuguese
No presente trabalho, nós desenvolvemos um modelo de mecânica estatística para a dinâmica do cotransporte. Em particular, foram analisados o simporte de lactose e H+ catalisado pela LacY, e o antiporte de triose-P e Pi catalisado pelo TPT. Em ambos os casos, nosso ponto de partida foi determinar a curva de energia livre do ciclo de transporte com base na estrutura bioquímica de cada estado. Então, usando o algoritmo de Metropolis em um modelo do caminho aleatório não-homogêneo, nós determinamos a dinâmica do ciclo expressa na curva de energia livre obtida anteriormente. Tanto no caso da LacY quanto no caso do TPT, a concordância entre as predições do nosso modelo e os dados experimentais sugere que a nossa curva de energia livre é apropriada para descrever os processos de transporte através da membrana plasmática.
Title in English
Statistical mechanical modeling of transport processes across the cell membrane
Keywords in English
antiport
cotransport
Monte Carlo simulation
Statistical mechanics
symport
Abstract in English
In the present work, we developed a statistical mechanical model for the dynamics of cotransport. In particular, the symport of lactose and H+ and the antiport of triose-P and Pi were analyzed. In both cases, our starting point was to determine the free-energy curve of the transport cycle based on the biochemical structure of each state. Then, using the Metropolis algorithm in a nonhomogeneous random walk model, we determined the dynamics of the cycle expressed in the free-energy curve obtained previously. Both in the case of LacY and TPT, the agreement between our model predictions and the experimental data suggests that our free-energy curve is appropriate for describing the transport process across the plasma membrane.
 
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DissertacaoYan.pdf (4.75 Mbytes)
Publishing Date
2019-09-13
 
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