Indicate species boundary condition
The BoundaryCondition property indicates whether a species object has a boundary condition.
When the BoundaryCondition of a species is false (default), the species quantity is modified by reactions, rules, events, and doses. If the BoundaryCondition is true, the species quantity is modified by rules, events, and doses, but not by reactions.
Set the BoundaryCondition to true when you want the species to participate in a reaction, but do not want any reactions to modify its quantity.
All SimBiology® species are state variables regardless of the BoundaryCondition or ConstantAmount property.
Consider the following two use cases of boundary conditions:
Modeling receptor-ligand interactions that affect the rate of change of the receptor but not the ligand. For example, in response to hormone, steroid receptors such as the glucocorticoid receptor (GR) translocate from the cytoplasm (cyt) to the nucleus (nuc). The hsp90/ hsp70 chaperone complex directs this nuclear translocation [Pratt 2004]. The natural ligand for GR is cortisol; the synthetic hormone dexamethasone (dex) is used in place of cortisol in experimental systems. In this system dexamethasone participates in the reaction but the quantity of dexamethasone in the cell is regulated using a rule. To simply model translocation of GR you could use the following reactions:
Formation of the chaperone-receptor complex,
Hsp90_complex + GR_cyt -> Hsp90_complex:GR_cyt
In response to the synthetic hormone dexamethasone (dex), GR moves from the cytoplasm to the nucleus.
Hsp90_complex:GR_cyt + dex -> Hsp90_complex + GR_nuc + dex
BoundaryCondition = true; ConstantAmount = false
In this example dex is modeled as a boundary condition with a rule to regulate the rate of change of dex in the system. Here, the quantity of dex is not determined by the rate of the second reaction but by a rate rule such as
ddex/dt = 0.001
which is specified in the SimBiology software as
dex = 0.001
Modeling the role of nucleotides (for example, GTP, ATP, cAMP) and cofactors (for example, Ca++, NAD+, coenzyme A). Consider the role of GTP in the activation of Ras by receptor tyrosine kinases.
Ras-GDP + GTP -> Ras-GTP + GDP
For GTP, BoundaryCondition = true; ConstantAmount = true
Model GTP and GDP with boundary conditions, thus making them boundary species. In addition, you can set the ConstantAmount property of these species to true to indicate that their quantity does not vary during a simulation.
|Applies to||Object: species|
|Data values||true or false. The default value is false.|
This example illustrates how to use the BoundaryCondition property of a species so that the species amount is not modified by the reaction it participates in, but by a user-defined dose object.
Load a sample project.
A SimBiology model named m1 is loaded to the MATLAB Workspace. The model is a simple radioactive decay model in which two species (x and z) are modified by the following reaction.
SimBiology Reaction Array Index: Reaction: 1 x -> z
Simulate the model and view results before adding any boundary conditions.
[t,x,names] = sbiosimulate(m1); plot(t,x); legend(names) xlabel('Time'); ylabel('Amount');
Add a RepeatDose object to the model and specify the species to be dosed, dose amount, dose schedule, and units.
d1 = adddose(m1,'d1','repeat'); set(d1,'TargetName','z','Amount',100.0,'Interval',1.0,'RepeatCount',8); set(d1,'TimeUnits','second','AmountUnits','molecule');
Set the BoundaryCondition of species z to be true so that the species will be modified by the dose object d1, but not by the reaction.
Simulate the model by applying the dose object.
[t2,x2,names] = sbiosimulate(m1,d1);
Plot the results. Notice that the amount of species z is now modified by the repeated dose object, but not by the reaction.
[t2,x2,names] = sbiosimulate(m1,d1); plot(t2,x2); legend(names); xlabel('Time'); ylabel('Amount');
Pratt, W.B., Galigniana, M.D., Morishima, Y., Murphy, P.J. (2004), Role of molecular chaperones in steroid receptor action, Essays Biochem, 40:41-58.