(* Generated by JWS Online *) (* This is an experimental feature of JWS Online. Please report any mistakes.*) (* Note that the following notable SBML entities or features are not supported in notebook outputyet: *) (* Events *) (* Constraints *) (* Units and UnitDefinitions *) (* AlgebraicRules *) (* conversionFactors *) variables = { Ar[t], ArH[t], H2O2[t], NADH[t], NADrad[t], O2[t], coI[t], coII[t], coIII[t], per2[t], per3[t], super[t] }; initialValues = { Ar[0] == 0.0, ArH[0] == 300.0, H2O2[0] == 0.7, NADH[0] == 0.0, NADrad[0] == 0.0, O2[0] == 12.0, coI[0] == 0.0, coII[0] == 0.0, coIII[0] == 0.0, per2[0] == 0.0, per3[0] == 1.2, super[0] == 0.0 }; rates = { v\[LetterSpace]1, v\[LetterSpace]10, v\[LetterSpace]11, v\[LetterSpace]12, v\[LetterSpace]13, v\[LetterSpace]14, v\[LetterSpace]15, v\[LetterSpace]2, v\[LetterSpace]3, v\[LetterSpace]4, v\[LetterSpace]5, v\[LetterSpace]6, v\[LetterSpace]7, v\[LetterSpace]8, v\[LetterSpace]9 }; rateEquations = { v\[LetterSpace]1 -> k1*NADH[t]*O2[t], v\[LetterSpace]10 -> k10*NADrad[t]*per3[t], v\[LetterSpace]11 -> k11*O2[t]*per2[t], v\[LetterSpace]12 -> k12, v\[LetterSpace]13 -> k13f, v\[LetterSpace]14 -> k13b*O2[t], v\[LetterSpace]15 -> k14*Ar[t]*NADH[t], v\[LetterSpace]2 -> k2*H2O2[t]*per3[t], v\[LetterSpace]3 -> k3*ArH[t]*coI[t], v\[LetterSpace]4 -> k4*ArH[t]*coII[t], v\[LetterSpace]5 -> k5*NADrad[t]*O2[t], v\[LetterSpace]6 -> k6*per3[t]*super[t], v\[LetterSpace]7 -> k7*super[t]^2, v\[LetterSpace]8 -> k8*coIII[t]*NADrad[t], v\[LetterSpace]9 -> k9*NADrad[t]^2 }; parameters = { k1 -> 3*^-06, k10 -> 1.8, k11 -> 0.1, k12 -> 0.08, k13b -> 0.006, k13f -> 0.072, k14 -> 0.7, k2 -> 18.0, k3 -> 0.15, k4 -> 0.0052, k5 -> 20.0, k6 -> 17.0, k7 -> 20.0, k8 -> 40.0, k9 -> 60.0, NAD -> 0.0, NAD2 -> 0.0, NADHres -> 1.0, O2g -> 1.0, default\[LetterSpace]compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "s", "metabolite" -> "umol/L", "extent" -> "uM"} }; (* Time evolution *) odes = { Ar'[t] == 1.0*v\[LetterSpace]3 +1.0*v\[LetterSpace]4 -1.0*v\[LetterSpace]15, ArH'[t] == 1.0*v\[LetterSpace]15 -1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]4, H2O2'[t] == 1.0*v\[LetterSpace]7 +1.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]2, NADH'[t] == 1.0*v\[LetterSpace]12 -1.0*v\[LetterSpace]15 -1.0*v\[LetterSpace]1, NADrad'[t] == 1.0*v\[LetterSpace]15 -1.0*v\[LetterSpace]10 -1.0*v\[LetterSpace]5 -2.0*v\[LetterSpace]9 -1.0*v\[LetterSpace]8, O2'[t] == 1.0*v\[LetterSpace]13 +1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]14 -1.0*v\[LetterSpace]11, coI'[t] == 1.0*v\[LetterSpace]2 +1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]3, coII'[t] == 1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]4, coIII'[t] == 1.0*v\[LetterSpace]6 +1.0*v\[LetterSpace]11 -1.0*v\[LetterSpace]8, per2'[t] == 1.0*v\[LetterSpace]10 -1.0*v\[LetterSpace]11, per3'[t] == 1.0*v\[LetterSpace]4 -1.0*v\[LetterSpace]10 -1.0*v\[LetterSpace]2 -1.0*v\[LetterSpace]6, super'[t] == 1.0*v\[LetterSpace]5 -2.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]6 }; timeCourse = NDSolve[Join[odes, initialValues]//.rateEquations//.assignments//.parameters, variables, {t, 0, 100}]; (* Steady-state solution initialized with result of time evolution *) findRootEquations = odes /.D[_[t],t]->0; findRootVariables = Partition[Flatten[{#, #/.timeCourse/.t->100} &/@variables],2]; steadyStateVariables = FindRoot[findRootEquations//.rateEquations//.assignments//.parameters, findRootVariables, MaxIterations->100] fluxes = #//.assignments//.parameters/.steadyStateVariables&/@rateEquations (* Plot the time evolution of the variables *) plotTable=Table[Plot[variables[[i]]/.parameters/.timeCourse,{t,0,100},PlotLegends->variables[[i]],PlotRange->Full],{i,Length[variables]}]