Raw data for Multigeneration responses of Daphnia magna to short chain per- and polyfluorinated substances (PFAS)

This submission provides the raw data and R scripts with the data, data analysis and data visualization in R studio from a multigeneration study on the daphnid Daphnia magna exposed to perfluorobutane sulfonic acid (PFBS) and perfluorobutane sulfonamide (FBSA) for six generations. The raw dataset includes mobility of Daphnia magna in the acute range-finding tests (following OECD test guideline 202), adult survival, reproduction, and population growth rate, measured exposure concentrations, internal concentrations, and bioaccumulation factors in the multigeneration tests (following OECD test guideline 211, with modifications). Raw_toxicity_data.xlsx: Raw dataset with four sheets including acute toxicity data, multigeneration survival data, multigeneration reproduction and population growth data, and bioaccumulation factors (BAFs). (Exposure) Dose-response curves.R: R script to fit dose-response curves for toxicity data related to measured exposure concentrations. (Internal) Dose-response curves.R: R script to fit dose-response curves for toxicity data related to internal PFAS concentrations. Data wrangling for plots.R: R script to organize model fits and raw data point for making the plots. Plotting dose-response curves.R: R script to plot the fitted dose-response curves. Bioaccumulation factors.R: R script to fit linear regressions between internal and measured exposure concentrations, to plot these regressions and bioaccumulation factor per generation for each PFAS. Variables in the raw dataset explained: Sheet "Acute tests": Conc_nominal - nominal values of the spiked concentration of PFAS in ADaM medium in mg/L. Mobility - percentage of mobile daphnids per replicate at the end of 48-h acute toxicity tests. Compound - refers to the abbreviation of the two test compound; PFBS: perfluorobutane sulfonic acid; FBSA: perfluorobutane sulfonamide. Sheet "Chronic tests (Survival)" Conc_nominal - nominal values of the spiked concentration of PFAS in ADaM medium in mg/L. Conc_measured - measured values of PFAS in ADaM medium in mg/L; measured exposure concentrations. Intern_conc - average internal concentrations (n=2) measured in the adults that survived each generation during the multigeneretion tests. Survival - percentage of survived animals at the end of 21-d exposure to PFAS per generation. Gen - abbreviation of "Generation", generation of the animals in the multigeneration ecotoxicity tests. Compound - refers to the abbreviation of the two test compound; PFBS: perfluorobutane sulfonic acid; FBSA: perfluorobutane sulfonamide. Sheet "Chronic tests (Repro & r)" Conc_nominal - nominal values of the spiked concentration of PFAS in ADaM medium in mg/L. Conc_measured - measured values of PFAS in ADaM medium in mg/L; measured exposure concentrations. Intern_conc - average internal concentrations (n=2) measured in the adults that survived each generation during the multigeneretion tests. Reproduction - total numbers of juveniles produced per adult at the end of 21-d exposure to PFAS per generation. r - refers to population growth rate calculated by the Lotka-Euler equation per concentration per PFAS per generation, replicated values generated using the Jackknife method. Gen - abbreviation of "Generation", generation of the animals in the multigeneration ecotoxicity tests. Compound - refers to the abbreviation of the two test compound; PFBS: perfluorobutane sulfonic acid; FBSA: perfluorobutane sulfonamide. Sheet "BAFs" Conc_measured - measured values of PFAS in ADaM medium in mg/L; measured exposure concentrations. Intern_conc - average internal concentrations (n=2) measured in the adults that survived each generation during the multigeneretion tests. BAFs - bioaccumulation factors calculated by dividing the internal PFAS concentration by the measured exposure concentration for each PFAS in each generation. Gen - abbreviation of "Generation", generation of the animals in the multigeneration ecotoxicity tests. Compound - refers to the abbreviation of the two test compound; PFBS: perfluorobutane sulfonic acid; FBSA: perfluorobutane sulfonamide. [NA stands for samples lost/not measured] This research was financed by the Open Technology Program of The Netherlands Organization for Scientific Research (NWO), domain Applied and Engineering Sciences (TTW) under project number 18725.本提交数据集涵盖一项针对大型溞（Daphnia magna，枝角类水蚤）的六代多代际毒理学研究的原始数据与配套R脚本，所有数据处理、分析与可视化工作均在R Studio环境中完成。该研究将受试动物暴露于全氟丁烷磺酸（perfluorobutane sulfonic acid, PFBS）与全氟丁烷磺酰胺（perfluorobutane sulfonamide, FBSA）两种全氟烷基物质（PFAS）中，持续六代。原始数据集包含：急性范围确定试验（遵循经济合作与发展组织试验指南202）中测定的大型溞活动率，以及多代际毒性试验（遵循经合组织试验指南211并做适当修改）中测定的成体存活率、繁殖力、种群增长率、实测暴露浓度、体内浓度及生物富集因子。 Raw_toxicity_data.xlsx：包含4个工作表的原始数据集，分别为急性毒性数据、多代际存活率数据、多代际繁殖与种群增长数据，以及生物富集因子（bioaccumulation factors, BAFs）数据。 (Exposure) Dose-response curves.R：用于拟合与实测暴露浓度相关的毒性数据的剂量-反应曲线的R脚本。 (Internal) Dose-response curves.R：用于拟合与体内全氟烷基物质浓度相关的毒性数据的剂量-反应曲线的R脚本。 Data wrangling for plots.R：用于整理模型拟合结果与原始数据点以绘制图表的R脚本。 Plotting dose-response curves.R：用于绘制拟合得到的剂量-反应曲线的R脚本。 Bioaccumulation factors.R：用于拟合体内浓度与实测暴露浓度间的线性回归关系、绘制该回归曲线，以及各世代两种PFAS的生物富集因子的R脚本。 原始数据集变量说明： 工作表"急性试验"： Conc_nominal：ADaM培养基中添加的PFAS标称浓度，单位为mg/L。 Mobility：48小时急性毒性试验结束时，每个重复中活动型水蚤的百分比。 Compound：受试化合物的缩写代号；PFBS：全氟丁烷磺酸；FBSA：全氟丁烷磺酰胺。 工作表"慢性试验（存活率）"： Conc_nominal：ADaM培养基中添加的PFAS标称浓度，单位为mg/L。 Conc_measured：ADaM培养基中PFAS的实测浓度，即实测暴露浓度。 Intern_conc：多代际试验中，各代存活成体的平均体内浓度（n=2）。 Survival：每代经21天PFAS暴露后，存活个体的百分比。 Gen："Generation（世代）"的缩写，指代多代际生态毒性试验中受试动物的世代数。 Compound：受试化合物的缩写代号；PFBS：全氟丁烷磺酸；FBSA：全氟丁烷磺酰胺。 工作表"慢性试验（繁殖与种群增长率）"： Conc_nominal：ADaM培养基中添加的PFAS标称浓度，单位为mg/L。 Conc_measured：ADaM培养基中PFAS的实测浓度，即实测暴露浓度。 Intern_conc：多代际试验中，各代存活成体的平均体内浓度（n=2）。 Reproduction：每代经21天PFAS暴露后，每只成体产出的幼体总数。 r：通过洛特卡-欧拉方程（Lotka-Euler equation）计算得到的各浓度、各PFAS、各世代的种群增长率，采用刀切法（Jackknife method）生成重复值。 Gen："Generation（世代）"的缩写，指代多代际生态毒性试验中受试动物的世代数。 Compound：受试化合物的缩写代号；PFBS：全氟丁烷磺酸；FBSA：全氟丁烷磺酰胺。 工作表"生物富集因子"： Conc_measured：ADaM培养基中PFAS的实测浓度，即实测暴露浓度。 Intern_conc：多代际试验中，各代存活成体的平均体内浓度（n=2）。 BAFs：生物富集因子，通过将各世代各PFAS的体内PFAS浓度除以实测暴露浓度计算得到。 Gen："Generation（世代）"的缩写，指代多代际生态毒性试验中受试动物的世代数。 Compound：受试化合物的缩写代号；PFBS：全氟丁烷磺酸；FBSA：全氟丁烷磺酰胺。 [NA代表样本丢失或未实测] 本研究由荷兰科学研究组织（Netherlands Organization for Scientific Research, NWO）应用与工程科学领域开放技术项目（TTW）资助，项目编号18725。