READ ME File For 'Dataset title' Dataset DOI: 10.5258/SOTON/D2465 Date that the file was created: August, 2018 ------------------- GENERAL INFORMATION ------------------- ReadMe Author: LINA MARIA ZAPATA RESTREPO, University of Southampton [ORCID ID 0000-0003-2549-6711] Date of data collection: August, 2018 Information about geographic location of data collection: NA Related projects: PhD thesis: The influence of environmental factors, sex steroids and tributyltin on growth, survival and reproductive parameters in the European flat oyster (Ostrea edulis Linnaeus, 1758) -------------------------- SHARING/ACCESS INFORMATION -------------------------- Licenses/restrictions placed on the data, or limitations of reuse:CC-BY Recommended citation for the data: This dataset supports the publication: AUTHORS: Lina M. Zapata-Restrepo1a, Chris Hauton, Malcolm D. Hudson Ian D. Williams and David Hauton TITLE:Toxicity of Tributyltin to the European flat oyster Ostrea edulis: metabolomic responses indicate impacts to energy metabolism, biochemical composition and reproductive maturation JOURNAL:PLOS One PAPER DOI IF KNOWN: -------------------- DATA & FILE OVERVIEW -------------------- This dataset contains: [Raw_data_TBT_O._edulis.xlsx Information obtined as part of the results including biometrics, sex categories and biochemical values; Oyster_TBT_Metabolomic.xlsx contains metabolomics results] -------------------------- METHODOLOGICAL INFORMATION -------------------------- Description of methods used for collection/generation of data: Biological indices, histological analysis (Kim et al., 2006; Howard et al., 2004), energy reserves (lipids, carbohydrates and proteins) (Mann and Gallager, 1985; Raymont et al, 1964), Metabolomic profile (Salazar et al., 2012; Walsby-Tickle et al., 2020) Kim Y, Ashton-Alcox KA, Powell EN. Histological Techniques for Marine Bivalve Molluscs: Update. Silver Spring, MD. NOAA Technical Memorandum NOS NCCOS 27. Vol. 76. 2006. Howard DW, Lewis EJ, Keller BJ, Smith CS. Histological techniques for marine bivalve mollusks and crustaceans, 2nd edition. 2004;218. Mann R, Gallager SM. Physiological and biochemical energetics of larvae of Teredo navalis L. and Bankia gouldi (Bartsch) (Bivalvia : Teredinidae). J Exp Mar Bio Ecol. 1985 Feb;85(3):211–28. Raymont JEG, Austin J, Linford E. Biochemical Studies on Marine Zooplankton: I. The Biochemical Composition of Neomysis integer. ICES J Mar Sci. 1964 Mar 1;28(3):354–63. Salazar C, Armenta JM, Cortés DF, Shulaev V. Combination of an AccQ·Tag-Ultra Performance Liquid Chromatographic Method with Tandem Mass Spectrometry for the Analysis of Amino Acids. In: Alterman M, Hunziker P (eds) Amino Acid Analysis Methods in Molecular Biology (Methods and Protocols), vol 828. Humana Press, Totowa, NJ; 2012. Walsby-Tickle J, Gannon J, Hvinden I, Bardella C, Abboud MI, Nazeer A, et al. Anion-exchange chromatography mass spectrometry provides extensive coverage of primary metabolic pathways revealing altered metabolism in IDH1 mutant cells. Commun Biol. 2020;3(1):1–12. Methods for processing the data: The normality of data and homogeneity of variances were evaluated using the Shapiro Wilk and the Levene’s tests, respectively. The assumptions of parametric tests were not met, so non-parametric tests were applied. The Kruskal-Wallis H-test was used to determine differences in mortality, biometric parameters (W, H, Wi, SVol, FW, CI), biochemical variables (lipids, carbohydrates, proteins) and gonadal development. When non-parametric Kruskal and Wallis test was significant, differences were then evaluated using a non-parametric the Mann and Whitney test. Spearman’s correlation was used to test the relationship between biochemical variables (lipids, carbohydrates, proteins). Chi-square statistics were used to test sex ratios against a 1:1 ratio. Fisher’s exact test was used to compare mortality between treatments. Metabolomics results between the treatments and the control were analysed using univariate statistical analysis determining fold-change and t-tests between experimental groups for compound features and combined in volcano plots (FDR-adjusted p-values should be reported). PCA and PLS-DA were also used to analyse the patterns in metabolomic profiles among treatments. Data is presented as MEAN ±SEM. Statistical significance was assigned at p≤0.05. Software- or Instrument-specific information needed to interpret the data, including software and hardware version numbers: Standards and calibration information, if appropriate: Environmental/experimental conditions:Ostrea edulis (5-7 cm at their maximum diameter) were obtained from Galway Bay in Ireland in January 2018 and were transferred to the National Oceanography Centre Southampton (NOCS) where they were acclimated for four weeks. During the acclimation period, they were placed in seawater tanks (about 1L/oyster) with continuous aeration at the same temperature (8°C) as at the grow-out site (https://www.seatemperature.org/europe/ireland/gaillimh.htm). Oysters were fed ad libitum daily with 40000 cells/ml of a live mixed algae diet (40% Tetraselmis suecica, 40% Pavlova lutheri and 20% Phaedactylum tricornutum). The research was approved by written consent of the University of Southampton Faculty of Environmental and Life Science Ethics Committee, under the University's Ethics and Research Governance Policy. After the acclimation process and before starting the exposure experiments, 6 oysters were taken as a control and these data are referred to as initial time (t0). One-hundred and twenty oysters were divided randomly among four treatment tanks (n = 30 per treatement): 20 ng/L Tributyiltin chloride (TBTCl), 200 ng/L TBTCl 2000 ng/L TBTCl and a negative control. TBTCl (Sigma–Aldrich; Stenheim, Germany) dissolved in 100% ethanol, which was then dried under a nitrogen stream and diluted 1:100 with 1-µm filtered sterilized seawater to give a 0.5mg/mL stock solution. Processes such as adsorption of TBT into the wall of the glass containers and/or microbial degradation can occur, so the water was renewed and spiked with TBTCl every 48h (renewal volume 80% of total aquarium water). All the treatments were kept at 10°C. Water temperatures were controlled throughout the experiments using a free-standing chiller unit (TECO, model TR60). The salinity, pH, temperature, conductivity and dissolved oxygen were measured in every aquarium at least twice per week. Describe any quality-assurance procedures performed on the data: People involved with sample collection, processing, analysis and/or submission: Lina María Zapata Restrepo was involved in conceptualization, formal analysis, experimental design, getting results, validation, visualization, writting, reviewing and editing. David Hauton collaborated with analysis, validation and visualization of metabolomic results. -------------------------- DATA-SPECIFIC INFORMATION -------------------------- Raw_data_TBT_O._edulis.xlsx Number of variables: 16 Number of cases/rows: 58 Variable list, defining any abbreviations, units of measure, codes or symbols used: Treatment, Concentracion Weight (g), Height (mm),Lenght (mm), Width (mm), Shell volume (g), Fresh tissue weight (g), CI, Sex, Sex_cat, Stage, Stage_cat, % Lip, % Carb, % Prot Specialized formats or other abbreviations used: Oyster_TBT_Metabolomic.xlsx Number of variables: 30 Number of cases/rows: sheet1: 5064, sheet2: 14405, sheet3: 5075 Variable list, defining any abbreviations, units of measure, codes or symbols used: Compound, Neutral mass (Da), m/z, Charge, Retention time (min), Chromatographic peak width (min), Identifications, Anova (p), q Value, Max Fold Change, Highest Mean, Lowest Mean, Isotope Distribution, Maximum Abundance, Minimum CV%, Accepted ID, CV<30% all compounds, Filtered for CV30%, Pathway identified compounds, Nucloetide pathway metabolism, Accepted Compound ID, Accepted Description, Adducts, Formula, Score, Fragmentation, Score Mass, Error (ppm), Isotope Similarity, Retention Time Error (mins)