Toxicokinetics and toxicodynamics data for fluazinam in the springtail Folsomia candida
Data files
Mar 03, 2025 version files 5.11 MB
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Dataset_Wehrli_et_al._2024.xlsx
5.10 MB
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README.md
10.22 KB
Abstract
The rise in global temperatures and increasing severity of heat waves pose significant threats to soil organisms, disrupting ecological balances in soil communities. Additionally, the implications of environmental pollution are exacerbated in a warmer world, as changes in temperature affect the uptake, transformation and elimination of toxicants, thereby increasing the vulnerability of organisms. Nevertheless, our understanding of such processes remains largely unexplored. The present study examines the impact of high temperatures on the uptake and effects of the fungicide fluazinam on the springtail Folsomia candida; Collembola, Isotomidae. Conducted under non-optimum but realistic high temperatures, the experiments revealed that increased temperature hampered detoxification processes in F. candida, enhancing the toxic effects of fluazinam. High temperatures and the fungicide exerted synergistic interactions, reducing F. candida’s reproduction and increasing adult mortality beyond what would be predicted by simple addition of the heat and chemical effects. These findings highlight the need to reevaluate the current ecological risk assessment and the regulatory framework in response to climate changes. This research enhances our understanding of how global warming affects the toxicokinetics and toxicodynamics (TK-TD) of chemicals in terrestrial invertebrates. In conclusion, our results suggest that adjustments to regulatory threshold values are necessary to address the impact of a changing climate.
Dataset for Wehrli et al. 2024
https://doi.org/10.5061/dryad.np5hqc03h
Description of the data and file structure
Springtails (Folsomia candida) were exposed to fluazinam mixed into a standard soil type. According to the OECD 232 guideline. Exposure proceeded for 28 days at different temperatures. One experiment studied body concentration of fluazinam and major metabolites (toxicokinetics). A second experiment studied the effects of fluazinam on life history traits of springtails (toxicodynamics). Statistical modeling evaluated the nature of interactions between the effects of temperature and the pesticide.
This data set provides the raw data, such as the AbosluteNumbers, weight of all replicates, length of all adults and juveniles, and two sheets for the randomization applied during the experiments.
This data set also provides model outputs for the dose-response modelling as well as the Stressor addition model (SAM), Independent action (EA) and Effectconcentrationx System stress (ECxSyS) modelling.
An R file is provided that uses the raw data to create all model outputs and to model all graphs used in the paper.
Files and variables
For all sheets, Concentration is in mg fluazinam/kg dw. soil (Except if it is stated that it is a metabolite in the header of the column) and temperature describe the exposure temperature (°C) during the experiments.
AbsoluteNumbersOECD232
Describes the total number of adults and juveniles per tested replicate and treatment for each temperature. Raw data for Figure 3 and Figure 6a.
Absolute numbers of “Adults” and “Juveniles in each treatment are described as Original Code.
ID Randomisation and Randomized are to identify the experimental treatments with the randomized list used to randomize during the testing phase.
DRCMortality
Describes the modeled survival of adults in relation to the concentration of fluazinam. Lower and upper CI are shown. Curves are shown in Figure 3.
The data is the modeled number of surviving adults at each concentration.
DRCReproduction
Describes the modeled number of juveniles in relation to the concentration of fluazinam. Lower and upper CI are shown. Curves shown in Figure 6a.
The data is the modeled number of offspring at each concentration.
Peak Area toxicodynamics
This dataset includes the peak areas of the LC-MS/MS measurements of fluazinam in test soil of the toxicodynamics experiment (shown in Table 1). Fluazinam 1 is the quantifier and Fluazinam 2 is the qualifier, equally for the metabolites.
Date describes the date the measurement was done. Day was an identifier for which experiment purely for R. Sampletype describes if it was a soil, collembolan or Standart sample. Sample Name describes the name during the measurement.
The following tabs describe Fluazinam 1 is the quantifier and Fluazinam 2 is the qualifier, equally for the metabolites. They are peak areas of the measured peaks.
Weight SoilRepro
Describing the amount of soil in the toxicodynamics experiment and solvent before and after the ASE extraction used for calculation of the concentrations of the analytes
Sample Name describes the name during the measurement. All weights are in grams (g).
Calculated Conc.Repro
Calculated concentrations in the soil of the toxicodynamics experiment of the analytes were based on the peak area with a linear semi-quantification. The columns describe concentration (mg fluazinam/ kg dw soil) and error rates. Here sample type describes if it is either a Standard Curve or Soil sample. The red columns are below below the limit of detection (<LOD).
Date describes the date the measurement was done. Day was an identifier for which experiment purely for R. Sampletype describes if it was a soil, collembolan or Standart sample. Sample Name describes the name during the measurement.
TempLog3
List of the temperature (°C) logger data generated during the main toxicokinetics experiment.
TempLog4
List of the temperature (°C) logger data generated during the toxicodynamics experiment.
ResultsLengthChronic
Describes the length of individual adult and juvenile springtails in the toxicodynamics experiment. Raw data used to calculate mean body length (mm) of adults and juveniles shown in Figure 5a and Figure 5b. Columns describe the Ranking/Label as the identifier of the randomisation. The Length of the body measured from the end of the posterior abdominal segment to the anterior margin of the head. Additionally, a column where each springtail was identified by eye as either adult or juvenile. Day resembles which starting block (1 out of 4) the treatment was started.
Measurements in the Length column with -7777 represent a springtail, where the picture quality was not sufficient to accurately measure body length.
In the Adult/Juvenile a -7777 represents that there were no survivors to be found in that specific treatment.
These -7777 are placeholders and are modified in the Rscript, to receive the final values represented in AbsoluteNumbersOECD232.
RandomisationCounting
This table was used to generate a list of identifiers to randomise the dataset. This dataset as well as Ranking are needed to decode the ResultLengthChronic dataset to link it to the Original Code, which declares which concentration they were tested in.
Ranking
This table was used to generate a list of identifiers to randomise the dataset. This dataset as well as RandomisationCounting are needed to decode the ResultLengthChronic dataset to link it to the Original Code, which declares which concentration they were tested in.
LengthJuvenilesD9-12
This table describes the length of the Juveniles at the start of the toxicodynamics experiment. The Length (mm) of the body measured from the end of the posterior abdominal segment to the anterior margin of the head. (n=3089)
Peak Area toxicokinetics
This dataset includes the peak areas for the soil measurements of fluazinam and metabolites in the toxicokinetics experiment. Where Fluazinam 1 is the quantifier and FLuazinam 2 is the qualifier, equally for the metabolites.
Date describes the date the measurement was done. Day was to identify the sampling day during the experiment. Sampletype describes if it was a soil, collembolan or Standart sample. Sample Name describes the name during the measurement.
The following tabs describe Fluazinam 1 is the quantifier and Fluazinam 2 is the qualifier, equally for the metabolites. They are peak areas of the measured peaks.
Weight Collembola
This table describes the total mass and number of springtails in each sample used for measurement of internal concentrations of fluazinam and metabolites. This dataset is also needed to calculate the internal concentrations of the collembolans with the Calculated Conc. dataset.
Sample Name describes the name during the measurement. Group was used to identify if it was pooled or single measurements, Day was to identify the sampling day during the experiment, concentration was just as a placeholder for R.
Weight Soil
Describing the amount of soil of the toxicokinetics experiment and solvent before and after the ASE extraction used for calculation of the concentrations of the analytes.
Sample Name describes the name during the measurement. All weights are in grams (g).
Calculated Conc
Calculated concentrations in the soil of the toxicokinetics experiment of the analytes were based on the peak area with a linear semi-quantification. The columns describe concentration and error rates. Sample_type describes if it is either a Standard Curve, springtail or Soil sample.
Date describes the date the measurement was done. Day was to identify the sampling day during the experiment. Sampletype describes if it was a soil, collembolan or Standart sample. Sample Name describes the name during the measurement.
SAM_EA_CA_LC_NEW
This table describes the model endpoints (LCx values) for the lethality dataset (Mortality of adult springtails). Survival Tox describes the effect of fluazinam at 20 degrees. Survival Tox + Env describes the effect of fluazinam and elevated temperatures (see temperature column). EA Tox+Env describe the generated Indipendent action model, CA Tox+Env describe the generated concentration addition model and SAM Tox+Env describe the generated stressor addition model. Results are shown in Figure 4.
ECxSyS_NEW
This table describes the model output of the ECxSys model used on the reproduction dataset for 24 and 26 degrees when exposed to fluazinam. ReproductionTox+Sys Describes the output for the modelled Systemstress model while Reproduction Tox LL5 represents the classic modelling approach of ta 5 parameter log logistic model. Results are shown in Figure 6b.
SAM_EA_CA_NEW
This table describes the model endpoints (ECx values) for the reproduction dataset (reproduction of juveniles). Survival Tox describes the effect of fluazinam at 20 degrees. Survival Tox + Env describes the effect of fluazinam and elevated temperatures (see temperature column). EA Tox+Env describe the generated Independent action model, CA Tox+Env describe the generated concentration addition model and SAM Tox+Env describe the generated stressor addition model. Results are shown in Table S13
SAM_EC50_Model
This table describes the model endpoints (ECx values) for the reproduction dataset (reproduction of juveniles). Survival Tox describes the effect of fluazinam at 20 degrees. Survival Tox + Env describes the effect of fluazinam and elevated temperatures (see temperature column). EA Tox+Env describe the generated Independent action model, CA Tox+Env describe the generated concentration addition model and SAM Tox+Env describe the generated stressor addition model. Here only 24 and 26 degrees have been measured. Results are shown in Figure 6b.
Code/software
The complete xlsx needs to be processed further with the provided R script. The data set can be loaded in as it is, and the script will calculate all of the necessary steps to get to generate final output which is described and discussed in our manuscript GCB 24-2023
Springtails (Folsomia candida) were exposed to fluazinam mixed into a standard soil type. Exposure proceeded for 28 days at different temperatures. One experiment studied body concentration of fluazinam and major metabolites (toxicokinetics). Measured with high pressure liquid chromatography and mass spectronomy. A second experiment studied the effects of fluazinam on life history traits of springtails (toxicodynamics). Statistical modelling evaluated the nature of interactions between effects of temperature and the pesticide.
Important: The raw data in this dataset need to be decoded with the provided R-Script since the data is only modified with the Script. The models in the dataset can be used as they are since they are already are already decoded and modelled accordingly to the described methods in Wehrli et al. 2024