(* 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 = { AMP[t], Acetic\[LetterSpace]acid[t], Amadori[t], C5[t], Cn[t], Formic\[LetterSpace]acid[t], Fru[t], Glu[t], Melanoidin[t], Triose[t], lys\[LetterSpace]R[t] }; initialValues = { AMP[0] == 0.0, Acetic\[LetterSpace]acid[0] == 0.0, Amadori[0] == 0.0, C5[0] == 0.0, Cn[0] == 0.0, Formic\[LetterSpace]acid[0] == 0.0, Fru[0] == 0.0, Glu[0] == 160.0, Melanoidin[0] == 0.0, Triose[0] == 0.0, lys\[LetterSpace]R[0] == 15.0 }; rates = { \[LetterSpace]J1, \[LetterSpace]J10, \[LetterSpace]J11, \[LetterSpace]J2, \[LetterSpace]J3, \[LetterSpace]J4, \[LetterSpace]J5, \[LetterSpace]J6, \[LetterSpace]J7, \[LetterSpace]J8, \[LetterSpace]J9 }; rateEquations = { \[LetterSpace]J1 -> \[LetterSpace]J1\[LetterSpace]K1*Glu[t], \[LetterSpace]J10 -> \[LetterSpace]J10\[LetterSpace]K10*Fru[t]*lys\[LetterSpace]R[t], \[LetterSpace]J11 -> \[LetterSpace]J11\[LetterSpace]K11*AMP[t], \[LetterSpace]J2 -> \[LetterSpace]J2\[LetterSpace]K2*Fru[t], \[LetterSpace]J3 -> \[LetterSpace]J3\[LetterSpace]K3*Glu[t], \[LetterSpace]J4 -> \[LetterSpace]J4\[LetterSpace]K4*Fru[t], \[LetterSpace]J5 -> \[LetterSpace]J5\[LetterSpace]K5*Fru[t], \[LetterSpace]J6 -> \[LetterSpace]J6\[LetterSpace]K6*Triose[t], \[LetterSpace]J7 -> \[LetterSpace]J7\[LetterSpace]K7*Glu[t]*lys\[LetterSpace]R[t], \[LetterSpace]J8 -> \[LetterSpace]J8\[LetterSpace]K8*Amadori[t], \[LetterSpace]J9 -> \[LetterSpace]J9\[LetterSpace]K9*Amadori[t] }; parameters = { \[LetterSpace]J1\[LetterSpace]K1 -> 0.01, \[LetterSpace]J2\[LetterSpace]K2 -> 0.00509, \[LetterSpace]J3\[LetterSpace]K3 -> 0.00047, \[LetterSpace]J4\[LetterSpace]K4 -> 0.0011, \[LetterSpace]J5\[LetterSpace]K5 -> 0.00712, \[LetterSpace]J6\[LetterSpace]K6 -> 0.00439, \[LetterSpace]J7\[LetterSpace]K7 -> 0.00018, \[LetterSpace]J8\[LetterSpace]K8 -> 0.11134, \[LetterSpace]J9\[LetterSpace]K9 -> 0.14359, \[LetterSpace]J10\[LetterSpace]K10 -> 0.00015, \[LetterSpace]J11\[LetterSpace]K11 -> 0.12514, compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { Acetic\[LetterSpace]acid[t]->"http://identifiers.org/chebi/CHEBI:15366", Acetic\[LetterSpace]acid[t]->"http://identifiers.org/kegg.compound/C00033", Formic\[LetterSpace]acid[t]->"http://identifiers.org/chebi/CHEBI:30751", Formic\[LetterSpace]acid[t]->"http://identifiers.org/kegg.compound/C00058", Fru[t]->"http://identifiers.org/chebi/CHEBI:28757", Fru[t]->"http://identifiers.org/kegg.compound/C01496", Glu[t]->"http://identifiers.org/chebi/CHEBI:17234", Glu[t]->"http://identifiers.org/kegg.compound/C00293", lys\[LetterSpace]R[t]->"http://identifiers.org/chebi/CHEBI:32568" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { AMP'[t] == 1.0*\[LetterSpace]J9 +1.0*\[LetterSpace]J10 -1.0*\[LetterSpace]J11, Acetic\[LetterSpace]acid'[t] == 1.0*\[LetterSpace]J6 +1.0*\[LetterSpace]J8 , Amadori'[t] == 1.0*\[LetterSpace]J7 -1.0*\[LetterSpace]J8 -1.0*\[LetterSpace]J9, C5'[t] == 1.0*\[LetterSpace]J3 +1.0*\[LetterSpace]J4 , Cn'[t] == 1.0*\[LetterSpace]J6 , Formic\[LetterSpace]acid'[t] == 1.0*\[LetterSpace]J3 +1.0*\[LetterSpace]J4 , Fru'[t] == 1.0*\[LetterSpace]J1 -1.0*\[LetterSpace]J2 -1.0*\[LetterSpace]J4 -1.0*\[LetterSpace]J5 -1.0*\[LetterSpace]J10, Glu'[t] == 1.0*\[LetterSpace]J2 -1.0*\[LetterSpace]J1 -1.0*\[LetterSpace]J3 -1.0*\[LetterSpace]J7, Melanoidin'[t] == 1.0*\[LetterSpace]J11 , Triose'[t] == 2.0*\[LetterSpace]J5 -1.0*\[LetterSpace]J6, lys\[LetterSpace]R'[t] == 1.0*\[LetterSpace]J8 -1.0*\[LetterSpace]J7 -1.0*\[LetterSpace]J10 }; 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]}]