Predicting Concentrations of Organic Chemicals in Fish by Using Toxicokinetic Models

Abstract

Quantification of chemical toxicity continues to be generally based on measured external concentrations. Yet, internal chemical concentrations have been suggested to be a more suitable parameter. To better understand the relationship between the external and internal concentrations of chemicals in fish, and to quantify internal concentrations, we compared three toxicokinetic (TK) models with each other and with literature data of measured concentrations of 39 chemicals. Two one-compartment models, together with the physiologically based toxicokinetic (PBTK) model, in which we improved the treatment of lipids, were used to predict concentrations of organic chemicals in two fish species: rainbow trout (Oncorhynchus mykiss) and fathead minnow (Pimephales promelas). All models predicted the measured internal concentrations in fish within 1 order of magnitude for at least 68% of the chemicals. Furthermore, the PBTK model outperformed the one-compartment models with respect to simulating chemical concentrations in the whole body (at least 88% of internal concentrations were predicted within 1 order of magnitude using the PBTK model). All the models can be used to predict concentrations in different fish species without additional experiments. However, further development of TK models is required for polar, ionizable, and easily biotransformed compounds.

Development and application of the adverse outcome pathway framework for understanding and predicting chronic toxicity: I. Challenges and research needs in ecotoxicology

“…PBTK model development in ecotoxicology has thus far largely been focused on fish, e.g. (Nichols et al, 1990;Nichols and Fitzsimmons, 2004;Murphy et al, 2005Murphy et al, , 2009Watanabe et al, 2009;Li et al, 2011a;Stadnicka et al, 2012), with incorporation of biotransformation being an area of active research (Nichols et al, 2006(Nichols et al, , 2007(Nichols et al, , 2013Fay et al, 2014). The same concepts can certainly be applied to other organisms, such as invertebrates, e.g.…”

Tralopyril bioconcentration and effects on the gill proteome of the Mediterranean mussel Mytilus galloprovincialis

“…However, it has the disadvantage of excluding proteins expressed at low copy counts, since these can be masked by highly abundant ones. Furthermore, the genomic and proteomic data currently available for mussels is rather incomplete, limiting the degree of proteome coverage that can be obtained (Campos et al, 2012;Suárez-Ulloa et al, 2013). In this study, a significant proportion of the collected spectral data could not be matched to any mussel peptides derived based on the protein databases available.…”

Simultaneous determination of 24 personal care products in fish muscle and liver tissues using QuEChERS extraction coupled with ultra pressure liquid chromatography-tandem mass spectrometry and gas chromatography-mass spectrometer analyses

“…2. Among the 24 analytes, the recoveries of total 20,19,19,12, and 18 kinds of compounds were in the range of 70-120 % when d-SPE sets (a), (b), (c), (d), and (e) were used, respectively. Actually, it can be seen that the majority of analytes displayed low standard deviation values (<10 %) when the five d-SPE sets were used.…”

“…The toxicity of chemicals to aquatic organisms usually correlates with their uptake and accumulation in tissues [20]. Hence, it is important to study the accumulation of chemicals in different biological tissues.…”