de.pangaea.dataset996222 und de.pangaea.dataset996264 dataset PANGAEA
info@pangaea.de
https://www.pangaea.de/ information pointOfContact 2026-07-29T14:30:23Z https://doi.pangaea.de/10.1594/PANGAEA.996222 <gco:CharacterString>Concentrations of 27 polar metabolites in gill and mantle tissue of Ostrea edulis measured by ¹H-NMR spectroscopy during a chronic alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-07-29T11:13:18 publication Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author PANGAEA
info@pangaea.de
https://www.pangaea.de/ information publisher tableDigital This dataset contains concentrations of 27 polar metabolites measured in gill and mantle tissue of individual European flat oysters (Ostrea edulis) sampled before the start of the chronic alkalinity-enhancement exposure (7 May 2024, baseline, n = 10 per tissue) and after 21, 42 and 63 days of exposure (28 May, 18 June and 9 July 2024) to one of five treatments, with 3 to 5 individuals sampled per treatment, tissue and timepoint. Extraction: Frozen gill and mantle samples were wet-weighed (100 to 400 mg WW) and, if necessary, ground to smaller pieces with a mortar and pestle pre-chilled in liquid nitrogen before being transferred to Precellys tubes. Polar metabolites were extracted following the protocol of Tripp-Valdez et al. (2017), adjusted as follows: 400 µL methanol and 125 µL MilliQ water for homogenization and 400 µL chloroform and 400 µL MilliQ water for phase separation. All steps used pre-chilled (0 to 4 °C) instruments and reagents to minimize metabolite degradation. The polar upper layer was transferred to 1.5 mL tubes and dried overnight in a SpeedVac vacuum concentrator at 30 °C (RVC 2-18, Martin Christ Freeze Dryers GmbH, Germany). Dried polar metabolites were resuspended in D2O containing 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid sodium salt (TSP; 0.05 wt %; Sigma Aldrich, St. Louis, USA) as internal standard and chemical shift reference, in a 1:1 ratio of µL D2O per mg tissue WW. Measurement: Untargeted metabolite profiling was performed using an ultra-shielded vertical 9.4 T NMR spectrometer (Avance III HD 400 WB, Bruker-BioSpin GmbH, Germany) equipped with a 1.7 mm TXI MicroProbe. Metabolite spectra were acquired using TopSpin 3.2 (Bruker-BioSpin GmbH, Rheinstetten, Germany) at room temperature, with the following parameters: 1D-Carr-Purcell-Meiboom-Gill (CPMG) pulse train with f1 presaturation (cpmgpr1d), 90° pulse 8.4 µs, TD 70.656, sweep width 8802 Hz (22 ppm), acquisition time 4.01 s, relaxation delay 4 s, 4 dummy scans and 128 scans per sample. ¹H-NMR spectra were processed and analyzed in Chenomx NMR Suite V.12.0 (Chenomx Inc., Canada): automated zero-filling, exponential multiplication (0.3 Hz line broadening), phase correction, baseline correction, shim correction and TSP calibration. Spectra from each tissue type within experimental groups were overlaid in Chenomx Profiler to evaluate spectral quality, comparability, linewidths, shifts and baselines, a step critical for accurate metabolite quantification. The adenylates ATP, ADP and AMP were summed as one metabolite (adenylates), resulting in a total of 27 metabolites. completed Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information principalInvestigator ecotoxicology ocean alkalinity enhancement Ostrea edulis theme <gco:CharacterString>PANGAEA Keyword List</gco:CharacterString> 1995-01-01 creation PANGAEA
info@pangaea.de
https://www.pangaea.de/ information pointOfContact copyright restricted copyright CC-BY-4.0: Creative Commons Attribution 4.0 International (License comes into effect after moratorium ends) textTable und geoscientificInformation 7.888944 7.888944 54.180327 54.180327 2024-04-17T00:00:00 2025-03-12T00:00:00 Event label thematicClassification Type of study thematicClassification Sample ID thematicClassification Sampling date/time, experiment thematicClassification Experiment day physicalMeasurement day day Tissues thematicClassification Treatment thematicClassification Adenylates, total physicalMeasurement mmol/l mmol/l Acetate physicalMeasurement mmol/l mmol/l Alanine physicalMeasurement mmol/l mmol/l Aspartate physicalMeasurement mmol/l mmol/l Betaine physicalMeasurement mmol/l mmol/l Choline physicalMeasurement mmol/l mmol/l Fumarate physicalMeasurement mmol/l mmol/l Glutamate physicalMeasurement mmol/l mmol/l Glycine physicalMeasurement mmol/l mmol/l Homarine physicalMeasurement mmol/l mmol/l Hypotaurine physicalMeasurement mmol/l mmol/l Isoleucine physicalMeasurement mmol/l mmol/l Lactate physicalMeasurement mmol/l mmol/l Leucine physicalMeasurement mmol/l mmol/l Methionine physicalMeasurement mmol/l mmol/l N-Acetylcysteine physicalMeasurement mmol/l mmol/l O-Acetylcholine physicalMeasurement mmol/l mmol/l O-Phosphocholine physicalMeasurement mmol/l mmol/l Succinate physicalMeasurement mmol/l mmol/l Taurine physicalMeasurement mmol/l mmol/l Threonine physicalMeasurement mmol/l mmol/l Trimethylamine physicalMeasurement mmol/l mmol/l Trimethylamine N-oxide physicalMeasurement mmol/l mmol/l Tyrosine physicalMeasurement mmol/l mmol/l Valine physicalMeasurement mmol/l mmol/l sn-Glycero-3-phosphocholine physicalMeasurement mmol/l mmol/l beta-Alanine physicalMeasurement mmol/l mmol/l text/tab-separated-values unknown https://doi.pangaea.de/10.1594/PANGAEA.996222?format=textfile download dataset The data set was checked for completeness, correctness, and consistency of metainformation. Validity of used methods was checked and - if applicable - precision and range of data. EVENT LABEL: ChronicOystersOAE_2024 * LATITUDE START: 54.180327 * LONGITUDE START: 7.888944 * LATITUDE END: 54.180327 * LONGITUDE END: 7.888944 * DATE/TIME START: 2024-04-17T00:00:00 * DATE/TIME END: 2025-03-12T00:00:00 * LOCATION: Helgoland, Germany * LOCATION: Helgoland, Germany * METHOD/DEVICE: Mesocosm experiment 2024-04-17T00:00:00 Related to <gco:CharacterString>Ecotoxicological impacts of Ocean Alkalinity Enhancement on the European flat oyster Ostrea edulis: Insights from tissue metabolomics and metal analysis</gco:CharacterString> Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author et al. author documentHardcopy Related to <gco:CharacterString>Carbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996219 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital Related to <gco:CharacterString>Carbonate chemistry parameters calculated from measured pH, total alkalinity, salinity and temperature in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996220 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital Related to <gco:CharacterString>Glycogen concentration in the labial palps of Ostrea edulis during a chronic alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996218 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital Related to <gco:CharacterString>Oyster mortality and physicochemical parameters in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996216 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital Related to <gco:CharacterString>Tissue-accumulated nickel, chromium and cobalt concentrations in Ostrea edulis measured by ICP-OES at the end of a chronic alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996221 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital Related to <gco:CharacterString>Total alkalinity and pH during a short-term feeding experiment testing the contribution of shellfish diet (Reed Mariculture SD1800) to seawater alkalinity</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996217 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital Related to <gco:CharacterString>Total alkalinity and pH in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996214 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital Related to <gco:CharacterString>Total alkalinity and pH in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment</gco:CharacterString> 2026-01-01 publication https://doi.pangaea.de/10.1594/PANGAEA.996215 Rump, Marco
marco.rump@awi.de
https://orcid.org/0009-0004-2329-4889 information author Lannig, Gisela
Gisela.Lannig@awi.de
https://orcid.org/0000-0002-9210-256X information author Bock, Christian
Christian.Bock@awi.de
https://orcid.org/0000-0003-0052-3090 information author Benthien, Albert
albert.benthien@awi.de
https://orcid.org/0000-0002-9159-3109 information author Pogoda, Bernadette
bernadette.pogoda@awi.de
https://orcid.org/0000-0003-3997-426X information author Antoni, Dominik
dominik.antoni@outlook.com
author Gerdts, Gunnar
Gunnar.Gerdts@awi.de
https://orcid.org/0000-0003-0872-3927 information author documentDigital