Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Alfred Wegener Institute - Biological Institute Helgoland AWI Helgoland (BAH) https://www.awi.de/en/about-us/sites/helgoland.html https://ror.org/032e6b942 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven AWI https://www.awi.de/ https://ror.org/032e6b942 Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven AWI https://www.awi.de/ https://ror.org/032e6b942 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven AWI https://www.awi.de/ https://ror.org/032e6b942 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven AWI https://www.awi.de/ https://ror.org/032e6b942 Antoni Dominik dominik.antoni@outlook.com Alfred Wegener Institute - Biological Institute Helgoland AWI Helgoland (BAH) https://www.awi.de/en/about-us/sites/helgoland.html https://ror.org/032e6b942 Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 Alfred Wegener Institute - Biological Institute Helgoland AWI Helgoland (BAH) https://www.awi.de/en/about-us/sites/helgoland.html https://ror.org/032e6b942 2026 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 dataset https://doi.pangaea.de/10.1594/PANGAEA.996222 2026-07-29T11:13:18 https://doi.pangaea.de/10.1594/PANGAEA.996264 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. Rump Marco marco.rump@awi.de 0009-0004-2329-4889 et al. submitted Ecotoxicological impacts of Ocean Alkalinity Enhancement on the European flat oyster Ostrea edulis: Insights from tissue metabolomics and metal analysis journal article Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 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 dataset https://doi.pangaea.de/10.1594/PANGAEA.996219 Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 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 dataset https://doi.pangaea.de/10.1594/PANGAEA.996220 Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 Glycogen concentration in the labial palps of Ostrea edulis during a chronic alkalinity-enhancement exposure experiment dataset https://doi.pangaea.de/10.1594/PANGAEA.996218 Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 Oyster mortality and physicochemical parameters in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment dataset https://doi.pangaea.de/10.1594/PANGAEA.996216 Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 Tissue-accumulated nickel, chromium and cobalt concentrations in Ostrea edulis measured by ICP-OES at the end of a chronic alkalinity-enhancement exposure experiment dataset https://doi.pangaea.de/10.1594/PANGAEA.996221 Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 Total alkalinity and pH during a short-term feeding experiment testing the contribution of shellfish diet (Reed Mariculture SD1800) to seawater alkalinity dataset https://doi.pangaea.de/10.1594/PANGAEA.996217 Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 Total alkalinity and pH in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment dataset https://doi.pangaea.de/10.1594/PANGAEA.996214 Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lannig Gisela Gisela.Lannig@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gisela-lannig.html 0000-0002-9210-256X Bock Christian Christian.Bock@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/christian-bock.html 0000-0003-0052-3090 Benthien Albert albert.benthien@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/albert-benthien.html 0000-0002-9159-3109 Pogoda Bernadette bernadette.pogoda@awi.de 0000-0003-3997-426X Antoni Dominik dominik.antoni@outlook.com Gerdts Gunnar Gunnar.Gerdts@awi.de https://www.awi.de/en/about-us/organisation/staff/single-view/gunnar-gerdts.html 0000-0003-0872-3927 2026 Total alkalinity and pH in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment dataset https://doi.pangaea.de/10.1594/PANGAEA.996215 7.888944 7.888944 54.180327 54.180327 7.888944 54.180327 2024-04-17T00:00:00 2025-03-12T00:00:00 Bundesamt für Naturschutz BfN https://doi.org/10.13039/501100010415 3522830300 DEFINE2 https://www.awi.de/en/science/biosciences/shelf-sea-system-ecology/main-research-focus/european-oyster/translate-to-english-define.html ChronicOystersOAE_2024 54.180327 7.888944 Helgoland, Germany 2024-04-17T00:00:00 54.180327 7.888944 Helgoland, Germany 2025-03-12T00:00:00 Mesocosm experiment MESO http://invabio.wdc-mare.org/mesocubi.jpg 5412 CC-BY-4.0 Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/ Event label Event Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Event Type of study Study type type Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Study type Sample ID Sample ID Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Sample ID Sampling date/time, experiment Date/time sampling exp Time T http://dbpedia.org/resource/Time Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Date/time sampling exp Experiment day Exp day day Time T http://dbpedia.org/resource/Time Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Exp day [day] Tissues Tissues Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Tissues Treatment Treat treatment Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Treat Adenylates, total Adenylates mmol/l adenylates total https://www.oxforddictionaries.com/definition/american_english/total Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Adenylates [mmol/l] Acetate Acetate mmol/l acetate http://purl.obolibrary.org/obo/CHEBI_30089 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Acetate [mmol/l] Alanine Ala mmol/l alanine http://purl.obolibrary.org/obo/CHEBI_16449 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Ala [mmol/l] Aspartate Aspartate mmol/l aspartate http://purl.obolibrary.org/obo/CHEBI_132943 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Aspartate [mmol/l] Betaine Betaine mmol/l betaine https://en.wikipedia.org/wiki/Betaine Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Betaine [mmol/l] Choline Choline mmol/l choline http://purl.obolibrary.org/obo/CHEBI_15354 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Choline [mmol/l] Fumarate Fumarate mmol/l Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Fumarate [mmol/l] Glutamate Glutamate mmol/l Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Glutamate [mmol/l] Glycine Gly mmol/l glycine http://purl.obolibrary.org/obo/CHEBI_15428 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Gly [mmol/l] Homarine Homarine mmol/l https://pubchem.ncbi.nlm.nih.gov/compound/Homarine Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Homarine [mmol/l] Hypotaurine Hypotaurine mmol/l https://en.wikipedia.org/wiki/Hypotaurine hypotaurine http://purl.obolibrary.org/obo/CHEBI_16668 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Hypotaurine [mmol/l] Isoleucine Ile mmol/l isoleucine http://purl.obolibrary.org/obo/CHEBI_24898 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Ile [mmol/l] Lactate Lactate mmol/l lactate http://purl.obolibrary.org/obo/CHEBI_24996 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Lactate [mmol/l] Leucine Leu mmol/l leucine http://purl.obolibrary.org/obo/CHEBI_25017 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Leu [mmol/l] Methionine Met mmol/l methionine http://purl.obolibrary.org/obo/CHEBI_16811 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Met [mmol/l] N-Acetylcysteine CysNAc mmol/l Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 CysNAc [mmol/l] O-Acetylcholine O-Acetylcholine mmol/l Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 O-Acetylcholine [mmol/l] O-Phosphocholine O-Phosphocholine mmol/l Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 O-Phosphocholine [mmol/l] Succinate Succinate mmol/l succinate http://purl.obolibrary.org/obo/CHEBI_26806 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Succinate [mmol/l] Taurine Tau mmol/l taurine http://purl.obolibrary.org/obo/CHEBI_15891 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Tau [mmol/l] Threonine Thr mmol/l threonine http://purl.obolibrary.org/obo/CHEBI_26986 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Thr [mmol/l] Trimethylamine TMA mmol/l trimethylamine http://purl.obolibrary.org/obo/CHEBI_18139 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 TMA [mmol/l] Trimethylamine N-oxide TMAO mmol/l trimethylamine N-oxide http://purl.obolibrary.org/obo/CHEBI_15724 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 TMAO [mmol/l] Tyrosine Tyr mmol/l tyrosine http://purl.obolibrary.org/obo/CHEBI_18186 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Tyr [mmol/l] Valine Val mmol/l valine http://purl.obolibrary.org/obo/CHEBI_27266 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 Val [mmol/l] sn-Glycero-3-phosphocholine sn-Glycero-3-phosphocholine mmol/l https://pubchem.ncbi.nlm.nih.gov/compound/SN-glycero-3-phosphocholine Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 sn-Glycero-3-phosphocholine [mmol/l] beta-Alanine b-ala mmol/l beta-alanine http://purl.obolibrary.org/obo/CHEBI_16958 Molar Concentration Rump Marco marco.rump@awi.de 0009-0004-2329-4889 b-ala [mmol/l] CurationLevelC Enhanced curation https://wiki.pangaea.de/wiki/Curation_levels ecotoxicology ocean alkalinity enhancement Ostrea edulis author118574 author118575 author21598 author27272 author35983 author38738 author38741 author61559 award5172 curlevel30 event3421985 funder1611 geocode1599 geocode1600 geocode1601 inst1842 inst32 license21 method11277 param123837 param16065 param185520 param186894 param186896 param186898 param186899 param186900 param186902 param186906 param186908 param186909 param186911 param186912 param186913 param186914 param186920 param186923 param186924 param186925 param186926 param186928 param186929 param186932 param516121 param521296 param521298 param524036 param524039 param524047 param567654 param82870 param96278 pi118574 ref140834 refds996214 refds996215 refds996216 refds996217 refds996218 refds996219 refds996220 refds996221 term1073587 term1073630 term1073691 term1073698 term1073714 term1073755 term1073762 term1073768 term1073901 term1074348 term1115539 term2606991 term2607377 term2612889 term2614814 term2623790 term2623791 term2625866 term38253 term38555 term39153 term41013 term43975 term44030 term49506 term51393 term73463 term73904 term77752