Incollection,
Computational model of complex enzyme-substrate of sucrose using theory of agents and cellular automata
Abstract Book of the XXIII IUPAP International Conference on Statistical Physics, Genova, Italy, (9-13 July 2007)
Abstract
In this work we propose a three-dimensional computational model using theory of agents and cellular automata to cleavage of sucrose. This molecule, commonly known as sugar, is a disaccharide composed of glucose and fructose that when cleaved generates equally one molecule of glucose and one of fructose. Sucrose is metabolized by invertase enzyme. The number of molecules of glucose and fructose is not measured directly, it is measured indirectly through of the amount of reduced sugar. In the experimental part we have obtained the effect of invertase concentration and the effect of sucrose concentration in different temperatures. For each concentration, cleavage of sucrose is measured by the absorbance of the samples in different times. In the computational model, agents can assume five states: solution, sucrose, invertase, glucose and fructose. These states represent the molecules of our system. There are empty spaces to simulate mobility of the molecules. They move using Moore neighborhood. Solution and enzyme do not change of state, only sucrose can change to glucose and fructose. The results of our computational model reproduce the experimental data. The experimental results show that the velocity of cleavage is related with the initial fraction of sucrose, initial fraction of invertase and depend on the temperature which the reaction takes place.
