Waterborne Geosmin Biokinetics in Rainbow Trout (Oncorhynchus mykiss): Part II—Physiologically Based Toxicokinetic Multi-Compartment Model
Egiddi M, Türkmen IR, Buettner A, Beauchamp J (2026)
Publication Type: Journal article
Publication year: 2026
Journal
Book Volume: 2026
Article Number: 3291319
Journal Issue: 1
DOI: 10.1155/are/3291319
Abstract
The organoleptic quality of aquaculture products is often diminished by off-flavours described as ‘earthy’ or ‘mouldy’, typically associated with the odour compound geosmin. While compartmental bioconcentration models for geosmin exist, a physiologically based toxicokinetic (PBTK) multi-compartment model that maps its organ-specific distribution has not been established to date. This study proposes a PBTK model for waterborne geosmin uptake in liver, blood, fillet and residual biomass of rainbow trout (Oncorhynchus mykiss) using a hybrid machine learning approach. To address initial data limitation, polynomial regression coefficients from sparse experimental data (Part I) were used to generate interpolating synthetic time-series data via Monte Carlo sampling. Empirical and synthetic datasets were combined to train three machine learning models, whereby random forest (RF) regression showed the best predictive performance and was selected to validate the expanded dataset. A PBTK ordinary differential equations (ODEs) model was formulated, incorporating literature-derived physiological parameters for blood, liver, fillet and unsampled residual biomass. The RF regression model provided data to solve the ODEs, and rate constants for uptake, excretion and metabolic biotransformation of geosmin, interpreted as intrinsic tissue-based kinetic parameters, were optimised through R-based DEoptim and Optim algorithms. The numerically solved model refined kinetic parameters from prior compartmental models, highlighted the central role of liver in geosmin metabolism and allowed a detailed characterisation of organ-specific geosmin distribution in fish. The hybrid approach improved descriptive accuracy and enhanced the understanding of geosmin bioconcentration dynamics, with implications for aquaculture practices and geosmin mitigation strategies.
Involved external institutions
Germany (DE)How to cite
APA:
Egiddi, M., Türkmen, I.R., Buettner, A., & Beauchamp, J. (2026). Waterborne Geosmin Biokinetics in Rainbow Trout (Oncorhynchus mykiss): Part II—Physiologically Based Toxicokinetic Multi-Compartment Model. Aquaculture Research, 2026(1). https://doi.org/10.1155/are/3291319
MLA:
Egiddi, Matteo, et al. "Waterborne Geosmin Biokinetics in Rainbow Trout (Oncorhynchus mykiss): Part II—Physiologically Based Toxicokinetic Multi-Compartment Model." Aquaculture Research 2026.1 (2026).
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