brands1

The SBML for this model was obtained from the BioModels database (BioModels ID: BIOMD0000000052) Biomodels notes: A kinetic model of the Maillard reaction occurring in heated monosaccharide-casein system. The model reproduces the simulation depicted in Fig 2 for the Glucose-Casein system. The results shown here were obtained from MathSBML. JWS Online curation: This model was curated by reproducing the figures as described in the BioModels Notes. No additional changes were made.

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Kinetic modeling of reactions in heated monosaccharide-casein systems.

  • Carline M J Brands
  • Martinus A J S van Boekel
J. Agric. Food Chem. 2002; 50 (23): 6725-6739
Abstract
In the present study, a kinetic model of the Maillard reaction occurring in heated monosaccharide-casein systems was proposed. Its parameters, the reaction rate constants, were estimated via multiresponse modeling. The determinant criterion was used as the statistical fit criterion instead of the familiar least squares to avoid statistical problems. The kinetic model was extensively tested by varying the reaction conditions. Different sugars (glucose, fructose, galactose, and tagatose) were studied regarding their effect on the reaction kinetics. This study has shown the power of multiresponse modeling for the unraveling of complicated reaction routes as occur in the Maillard reaction. The iterative process of proposing a model, confronting it with experiments, and criticizing the model was passed through four times to arrive at a model that was largely consistent with all results obtained. A striking difference was found between aldose and ketose sugars as suggested by the modeling results: not the ketoses themselves but only their reaction products were found to be reactive in the Maillard reaction.

Unit definitions have no effect on the numerical analysis of the model. It remains the responsibility of the modeler to ensure the internal numerical consistency of the model. If units are provided, however, the consistency of the model units will be checked.

Name Definition
0.001 mole
60.0 second
Id Name Spatial dimensions Size
compartment 3.0 1.0
Id Name Initial quantity Compartment Fixed
AMP 0.0 compartment
Acetic_acid 0.0 compartment
Amadori 0.0 compartment
C5 0.0 compartment
Cn 0.0 compartment
Formic_acid 0.0 compartment
Fru 0.0 compartment
Glu 160.0 compartment
Melanoidin 0.0 compartment
Triose 0.0 compartment
lys_R 15.0 compartment

Initial assignments are expressions that are evaluated at time=0. It is not recommended to create initial assignments for all model entities. Restrict the use of initial assignments to cases where a value is expressed in terms of values or sizes of other model entities. Note that it is not permitted to have both an initial assignment and an assignment rule for a single model entity.

Definition
Id Name Objective coefficient Reaction Equation and Kinetic Law Flux bounds
_J1 Glu > Fru

K1 * Glu
_J10 lys_R + Fru > AMP

K10 * Fru * lys_R
_J11 AMP > Melanoidin

K11 * AMP
_J2 Fru > Glu

K2 * Fru
_J3 Glu > C5 + Formic_acid

K3 * Glu
_J4 Fru > C5 + Formic_acid

K4 * Fru
_J5 Fru > {2.0}Triose

K5 * Fru
_J6 Triose > Cn + Acetic_acid

K6 * Triose
_J7 lys_R + Glu > Amadori

K7 * Glu * lys_R
_J8 Amadori > Acetic_acid + lys_R

K8 * Amadori
_J9 Amadori > AMP

K9 * Amadori

Global parameters

Id Value

Local parameters

Id Value Reaction
K1 0.01 _J1
K2 0.00509 _J2
K3 0.00047 _J3
K4 0.0011 _J4
K5 0.00712 _J5
K6 0.00439 _J6
K7 0.00018 _J7
K8 0.11134 _J8
K9 0.14359 _J9
K10 0.00015 _J10
K11 0.12514 _J11

Assignment rules

Definition

Rate rules

Definition

Algebraic rules

Definition
Trigger Assignments