Supporting information in "Saunders, L.J. and Nichols, J.W. (2023), Models Used to Predict Chemical Bioaccumulation in Fish from in Vitro Biotransformation Rates Require Accurate Estimates of Blood–Water Partitioning and Chemical Volume of Distribution. Environ Toxicol Chem, 42: 33-45. https://doi.org/10.1002/etc.5503". This dataset is associated with the following publication: Saunders, L., and J. Nichols. Models Used to Predict Chemical Bioaccumulation in Fish from in Vitro Biotransformation Rates Require Accurate Estimates of Blood–Water Partitioning and Chemical Volume of Distribution. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 42(1): 33-45, (2023).

This data release provides model predicted estimates of daily consumption and growth based on established bioenergetics models for multiple lakes and reservoirs throughout the midwest region.. Specifically, the data includes two intermediary variables (processed lake temperature prediction feather files and bioenergetic metrics CSV), model code in R script used to produce the outputs, and bioenergetics model prediction feather files for a set of fish bioenergetics models under current and future temperature conditions at 337 large lakes.

This data release provides model predicted estimates of daily consumption and growth based on established bioenergetics models for multiple lakes and reservoirs throughout the midwest region.. Specifically, the data includes two intermediary variables (processed lake temperature prediction feather files and bioenergetic metrics CSV), model code in R script used to produce the outputs, and bioenergetics model prediction feather files for a set of fish bioenergetics models under current and future temperature conditions at 337 large lakes.

The dataset, which is presented as an Excel spreadsheet, contains all data which is presented as figures in Nichols et al., Measurement of kinetic parameters for biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Implications for bioaccumulation assessment, accepted for publication in Applied In Vitro Toxicology 04/2017. Additional information if provided regarding reaction conditions used to characterize liver S9 fractions and perform PAH depletions studies. This dataset is associated with the following publication: Nichols, J., M. Ladd, and P. Fitzsimmons. Measurement of kinetic parameters for biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Implications for bioaccumulation assessment. Applied In Vitro Toxicology. Mary Ann Liebert, Inc., Larchmont, NY, USA, 4(4): 365-378, (2018).

This dataset, presented as an Excel spreadsheet, contains all data presented as figures and tables in an article by Nichols et al, entitled "In vitro-in vivo extrapolation of hepatic biotransformation data for fish. III. An in-depth case study with pyrene" and published in Environmental Toxicology and Chemistry, 2023. The dataset describes results from a paired set of experiments designed to evaluate the accuracy of in vitro to in vivo metabolism extrapolation procedures for fish. Results showed that measured rates of in vitro intrinsic clearance, when extrapolated to the whole liver, underestimated apparent rates of in vivo activity by about a factor of 4 (assuming the liver is the only site of biotransformation). These findings may have important implications for the use of IVIVE methods in bioaccumulation assessments for fish. This dataset is associated with the following publication: Nichols, J., P. Fitzsimmons, A. Hoffman, and K. Wong. In vitro-in vivo extrapolation of hepatic biotransformation data for fish. III. An in-depth case study with pyrene. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 42(7): 1501-1515, (2023).

The dataset contains long-term and short-term summaries of streamflow alteration and measures of biological condition (fish multi-metric index). Streamflow alteration metrics include the magnitude, duration, frequency, and seasonality of high and low flow streamflow. Biological condition was estimated from the National Rivers and Streams Assessment and National Water Quality Assessment fish sampling programs. Using fish samples, a fish multi-metric index was calculated and categorized into altered versus non-altered fish communities.

The dataset contains long-term and short-term summaries of streamflow alteration and measures of biological condition (fish multi-metric index). Streamflow alteration metrics include the magnitude, duration, frequency, and seasonality of high and low flow streamflow. Biological condition was estimated from the National Rivers and Streams Assessment and National Water Quality Assessment fish sampling programs. Using fish samples, a fish multi-metric index was calculated and categorized into altered versus non-altered fish communities.

Understanding biotransformation pathways in aquatic species is an integral part of ecological risk assessment with respect to the potential bioactivation of chemicals to more toxic metabolites. The long-range goal is to gain sufficient understanding of fish metabolic transformation reactions to be able to accurately predict fish xenobiotic metabolism. While some metabolism data exist, there are few fish in vivo exposure studies where metabolites have been identified and the metabolic pathways proposed. Previous biotransformation work has focused on in vitro studies which have the advantage of high throughput but may have limited metabolic capabilities, and in vivo studies which have full metabolic capacity but are low throughput. An aquatic model system with full metabolic capacity in which a large number of chemicals could be tested would be a valuable tool. The current study evaluated the ex vivo rainbow trout liver slice model, which has the advantages of high throughput as found in vitro models and non-dedifferentiated cells and cell to cell communication found in in vivo systems. The pesticide diazinon, which has been previously tested both in vitro and in vivo in a number of mammalian and aquatic species including rainbow trout, was used to evaluate the ex vivo slice model as a tool to study biotransformation pathways. While somewhat limited by the analytical chemistry method employed, results of the liver slice model, mainly that hydroxypyrimidine was the major diazinon metabolite, are in line with the results of previous rainbow trout in vivo studies. Therefore, the rainbow trout liver slice model is a useful tool for the study of metabolism in aquatic species. This dataset is associated with the following publication: Tapper, M., J. Serrano, P. Schmieder, D. Hammermeister, and R. Kolanczyk. Metabolism of diazinon in rainbow trout liver slices. Applied In Vitro Toxicology. Mary Ann Liebert, Inc., Larchmont, NY, USA, 4(1): 13-23, (2018).