Software

MATLAB code to model anthocyanin proton transfer, hydration and self-association

The University of Adelaide
ARC Linkage Grant LP1701000985 (Funded by) Rachael Tindal (Aggregated by) Richard Muhlack (Aggregated by)
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.25909/25001540.v3&rft.title=MATLAB code to model anthocyanin proton transfer, hydration and self-association&rft.identifier=https://doi.org/10.25909/25001540.v3&rft.publisher=The University of Adelaide&rft.description=%This code implements an ODE system for anthocyanin monomers A^-, A, AH^+, B and the self-association of A^-, A, AH^+. %Aggregation is implemented as an isodesmic %model; the aggregation rate vectors jp(1,2,3)v, jn(1,2,3)v have constant entries. The code can easily be modified for nonisodesmic models by choosing aggregation rate vectors with nonconstant entries.%The constants used are for malvidin. The model can easily be modified to describe kinetic behaviour for all anthocyanins by assigning the rate constants kp, kn, jp and jn appropriately.&rft.creator=Rachael Tindal&rft.creator=Richard Muhlack&rft.date=2024&rft_rights=CC-BY-4.0&rft_subject=anthocyanin&rft_subject=self-association models&rft_subject=mathematical modelling&rft_subject=polyphenol&rft_subject=wine quality&rft_subject=Food chemistry and food sensory science&rft_subject=Oenology and viticulture&rft_subject=Computational chemistry&rft.type=Computer Program&rft.language=English Access the software
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%This code implements an ODE system for anthocyanin monomers A^-, A, AH^+, B and the self-association of A^-, A, AH^+.

%Aggregation is implemented as an isodesmic %model; the aggregation rate vectors jp(1,2,3)v, jn(1,2,3)v have constant entries. The code can easily be modified for nonisodesmic models by choosing aggregation rate vectors with nonconstant entries.

%The constants used are for malvidin. The model can easily be modified to describe kinetic behaviour for all anthocyanins by assigning the rate constants kp, kn, jp and jn appropriately.

Issued: 2024-12-17

Created: 2024-12-17

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Computational chemistry | Food chemistry and food sensory science | Oenology and viticulture | anthocyanin | mathematical modelling | polyphenol | self-association models | wine quality |

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