(* 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 = { Amadori[t], CML[t], Glucose[t], Glyoxal[t], Lysine[t], Schiff[t] }; initialValues = { Amadori[0] == 0.0, CML[0] == 0.0, Glucose[0] == 0.25, Glyoxal[0] == 0.0, Lysine[0] == 0.0034, Schiff[0] == 0.0 }; rates = { v1a, v1b, v2a, v2b, v3, v4, v5, v5b, v6, v7a, v7b, v7c }; rateEquations = { v1a -> compartment*v1a\[LetterSpace]k1a*v1a\[LetterSpace]p1*Glucose[t]*Lysine[t], v1b -> compartment*v1b\[LetterSpace]k1b*Schiff[t], v2a -> compartment*v2a\[LetterSpace]k2a*v2a\[LetterSpace]p2*Schiff[t], v2b -> compartment*v2b\[LetterSpace]k2b*v2b\[LetterSpace]p2*Amadori[t], v3 -> 1.6471820345351462*compartment*v3\[LetterSpace]k3*v3\[LetterSpace]ox*v3\[LetterSpace]p3*Glucose[t]^0.36, v4 -> compartment*v4\[LetterSpace]k4*v4\[LetterSpace]ox*v4\[LetterSpace]p4*Amadori[t], v5 -> compartment*v5\[LetterSpace]k5*v5\[LetterSpace]ox*v5\[LetterSpace]p5*Glyoxal[t]*Lysine[t], v5b -> compartment*v5b\[LetterSpace]k5b*Glyoxal[t], v6 -> 1.6471820345351462*compartment*v6\[LetterSpace]k3*v6\[LetterSpace]ox*v6\[LetterSpace]p6*Schiff[t]^0.36, v7a -> 0.08235910172675731*compartment*v7a\[LetterSpace]k3*v7a\[LetterSpace]ox*v7a\[LetterSpace]p7*Schiff[t]^0.36, v7b -> 0.00823591017267573*compartment*v7b\[LetterSpace]k3*v7b\[LetterSpace]ox*v7b\[LetterSpace]p7*Schiff[t]^0.36, v7c -> 1.6471820345351462*compartment*v7c\[LetterSpace]k3*v7c\[LetterSpace]ox*v7c\[LetterSpace]p7*Schiff[t]^0.36 }; parameters = { v1a\[LetterSpace]p1 -> 0.115, v1a\[LetterSpace]k1a -> 0.09, v1b\[LetterSpace]k1b -> 0.36, v2a\[LetterSpace]p2 -> 0.75, v2a\[LetterSpace]k2a -> 0.033, v2b\[LetterSpace]p2 -> 0.75, v2b\[LetterSpace]k2b -> 0.0012, v3\[LetterSpace]ox -> 1.0, v3\[LetterSpace]p3 -> 1.0, v3\[LetterSpace]k3 -> 7.92*^-07, v4\[LetterSpace]ox -> 1.0, v4\[LetterSpace]p4 -> 1.0, v4\[LetterSpace]k4 -> 8.6*^-05, v5\[LetterSpace]ox -> 1.0, v5\[LetterSpace]p5 -> 1.0, v5\[LetterSpace]k5 -> 0.019, v5b\[LetterSpace]k5b -> 0.0017, v6\[LetterSpace]ox -> 1.0, v6\[LetterSpace]p6 -> 2.7, v6\[LetterSpace]k3 -> 7.92*^-07, v7a\[LetterSpace]ox -> 1.0, v7a\[LetterSpace]p7 -> 60.0, v7a\[LetterSpace]k3 -> 7.92*^-07, v7b\[LetterSpace]ox -> 1.0, v7b\[LetterSpace]p7 -> 60.0, v7b\[LetterSpace]k3 -> 7.92*^-07, v7c\[LetterSpace]ox -> 1.0, v7c\[LetterSpace]p7 -> 60.0, v7c\[LetterSpace]k3 -> 7.92*^-07, compartment -> 1.0 }; assignments = { Fraction\[LetterSpace]Amadori -> 294.11764705882354*Amadori[t], Fraction\[LetterSpace]CML -> 294.11764705882354*CML[t] }; events = { }; speciesAnnotations = { Glucose[t]->"http://identifiers.org/chebi/CHEBI:17234", Glucose[t]->"http://identifiers.org/kegg.compound/C00293", Glyoxal[t]->"http://identifiers.org/kegg.compound/C14448", Glyoxal[t]->"http://identifiers.org/chebi/CHEBI:34779", Lysine[t]->"http://identifiers.org/chebi/CHEBI:25094" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { Amadori'[t] == 1.0*v2a -1.0*v2b -1.0*v4, CML'[t] == 1.0*v4 +1.0*v5 +1.0*v6 , Glucose'[t] == 1.0*v1b -1.0*v1a -1.0*v3, Glyoxal'[t] == 1.0*v3 +1.0*v7b -1.0*v5 -1.0*v5b, Lysine'[t] == 1.0*v1b +1.0*v7a -1.0*v1a -1.0*v5, Schiff'[t] == 1.0*v1a +1.0*v2b -1.0*v1b -1.0*v2a -1.0*v6 -1.0*v7c }; 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]}]