Dataset
conforms to: http://mlcommons.org/croissant/1.0
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
  affiliation: Alfred Wegener Institute - Biological Institute Helgoland
creator: Gunnar Gerdts
name: 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
publisher: PANGAEA
  type: Organization
  disambiguating description: Data Publisher for Earth & Environmental Science
included in data catalog: PANGAEA
  type: DataCatalog
  disambiguating description: Data Publisher for Earth & Environmental Science
date published: 2026-07-29
is part of: https://doi.pangaea.de/10.1594/PANGAEA.996264
additional type: dataset
description: This dataset contains calculated carbonate chemistry parameters, including the concentrations of dissolved CO2, HCO3-, CO32- and dissolved inorganic carbon, the fugacity and partial pressure of CO2 and the saturation states of aragonite (Ωarag) and calcite (Ωcalc), for the alkalization mesocosms. Values were calculated from pH, total alkalinity, salinity and temperature measured between 17 April and 19 June 2024, using the seacarb package (Orr et al., 2018) in R (V. 4.3.2). Measured pH values, which refer to the NBS scale, were first converted to the total scale using the total proton activity coefficient fH of Takahashi et al. (1982), lowering pH by 0.12 to 0.13 units across the measured salinity and temperature range. Calculations used the carbonic acid dissociation constants of Lueker et al. (2000), the bisulfate dissociation constant of Dickson (1990), the hydrogen fluoride constant of Perez & Fraga (1987), total boron after Uppström (1974) and the aragonite and calcite solubility products of Mucci (1983), all evaluated at in situ temperature and salinity. The conversion from the NBS to the total scale carries a residual uncertainty of about 0.01 to 0.02 pH units, because the liquid junction potential between the dilute calibration buffers and seawater is not fully captured by fH. This propagates to an uncertainty of roughly 5 to 15 % in calculated pCO2 and a correspondingly smaller uncertainty in the saturation states.
abstract: This dataset contains calculated carbonate chemistry parameters, including the concentrations of dissolved CO2, HCO3-, CO32- and dissolved inorganic carbon, the fugacity and partial pressure of CO2 and the saturation states of aragonite (Ωarag) and calcite (Ωcalc), for the alkalization mesocosms. Values were calculated from pH, total alkalinity, salinity and temperature measured between 17 April and 19 June 2024, using the seacarb package (Orr et al., 2018) in R (V. 4.3.2). Measured pH values, which refer to the NBS scale, were first converted to the total scale using the total proton activity coefficient fH of Takahashi et al. (1982), lowering pH by 0.12 to 0.13 units across the measured salinity and temperature range. Calculations used the carbonic acid dissociation constants of Lueker et al. (2000), the bisulfate dissociation constant of Dickson (1990), the hydrogen fluoride constant of Perez & Fraga (1987), total boron after Uppström (1974) and the aragonite and calcite solubility products of Mucci (1983), all evaluated at in situ temperature and salinity. The conversion from the NBS to the total scale carries a residual uncertainty of about 0.01 to 0.02 pH units, because the liquid junction potential between the dilute calibration buffers and seawater is not fully captured by fH. This propagates to an uncertainty of roughly 5 to 15 % in calculated pCO2 and a correspondingly smaller uncertainty in the saturation states.
citation: Ecotoxicological impacts of Ocean Alkalinity Enhancement on the European flat oyster Ostrea edulis: Insights from tissue metabolomics and metal analysis
  type: CreativeWork
  type: ScholarlyArticle
  creator: Marco Rump
  creator: et al.
  creative work status: submitted
  additional type: journal article
citation: 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
citation: 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
citation: Glycogen concentration in the labial palps of Ostrea edulis during a chronic alkalinity-enhancement exposure experiment
citation: Oyster mortality and physicochemical parameters in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment
citation: Tissue-accumulated nickel, chromium and cobalt concentrations in Ostrea edulis measured by ICP-OES at the end of a chronic alkalinity-enhancement exposure experiment
citation: Total alkalinity and pH during a short-term feeding experiment testing the contribution of shellfish diet (Reed Mariculture SD1800) to seawater alkalinity
citation: Total alkalinity and pH in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment
citation: Total alkalinity and pH in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment
spatial coverage: Place
  geo: GeoCoordinates
    latitude: 54.180327
    longitude: 7.888944
temporal coverage: 2024-04-17T00:00:00/2025-03-12T00:00:00
funding: DEFINE2
  type: MonetaryGrant
  funder: Bundesamt für Naturschutz
size: QuantitativeValue
  value: 1220.0
  unit text: data points
variable measured: Event label
variable measured: Type of study
  type: PropertyValue
  subject of: DefinedTermSet
    has defined term: type
variable measured: Incubation type
variable measured: Experiment day
  type: PropertyValue
  unit text: day
  subject of: DefinedTermSet
    has defined term: Time
variable measured: Sampling date/time, experiment
  type: PropertyValue
  subject of: DefinedTermSet
    has defined term: Time
variable measured: Treatment
  type: PropertyValue
  subject of: DefinedTermSet
    has defined term: treatment
variable measured: Salinity
  type: PropertyValue
  subject of: DefinedTermSet
    has defined term: salinity
variable measured: Temperature, water
  type: PropertyValue
  unit text: °C
  subject of: DefinedTermSet
    has defined term: Temperature
    has defined term: water
variable measured: pH, NBS scale
variable measured: Hydrogen ion, activity coefficient
variable measured: pH, total scale
variable measured: Alkalinity, total
  type: PropertyValue
  unit text: µmol/kg
  subject of: DefinedTermSet
    has defined term: total
    has defined term: Molar Concentration
variable measured: pH
variable measured: Carbon dioxide, dissolved
  type: PropertyValue
  unit text: µmol/kg
  subject of: DefinedTermSet
    has defined term: carbon dioxide
    has defined term: dissolved
    has defined term: Molar Concentration
variable measured: Fugacity of carbon dioxide in seawater
  type: PropertyValue
  unit text: µatm
  subject of: DefinedTermSet
    has defined term: fugacity
    has defined term: carbon dioxide
    has defined term: seawater
    has defined term: Energy Density
    has defined term: Force Per Area
variable measured: Partial pressure of carbon dioxide (water) at sea surface temperature (wet air)
  type: PropertyValue
  unit text: µatm
  subject of: DefinedTermSet
    has defined term: partial pressure
    has defined term: carbon dioxide
    has defined term: water
    has defined term: Energy Density
    has defined term: Force Per Area
variable measured: Bicarbonate ion
  type: PropertyValue
  unit text: µmol/kg
  subject of: DefinedTermSet
    has defined term: Molar Concentration
variable measured: Carbonate ion
  type: PropertyValue
  unit text: µmol/kg
  subject of: DefinedTermSet
    has defined term: Molar Concentration
variable measured: Carbon, inorganic, dissolved
  type: PropertyValue
  unit text: µmol/kg
  subject of: DefinedTermSet
    has defined term: carbon
    has defined term: dissolved
    has defined term: Molar Concentration
variable measured: Aragonite saturation state
  type: PropertyValue
  subject of: DefinedTermSet
    has defined term: aragonite saturation state
variable measured: Calcite saturation state
keywords: ecotoxicology; ocean alkalinity enhancement; Ostrea edulis
license: https://creativecommons.org/licenses/by/4.0/
conditions of access: access rights needed
is accessible for free: false
language: en
distribution: data matrix.tab
distribution: FileObject
  type: DataDownload
  encoding format: text/html

Marco Rump
type: Person
family name: Rump
given name: Marco
affiliation: Alfred Wegener Institute - Biological Institute Helgoland

Alfred Wegener Institute - Biological Institute Helgoland
type: Organization
alternate name: AWI Helgoland (BAH)
name: Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven
alternate name: AWI

Gisela Lannig
type: Person
family name: Lannig
given name: Gisela
affiliation: Alfred Wegener Institute - Biological Institute Helgoland

Christian Bock
type: Person
family name: Bock
given name: Christian
affiliation: Alfred Wegener Institute - Biological Institute Helgoland

Albert Benthien
type: Person
family name: Benthien
given name: Albert
affiliation: Alfred Wegener Institute - Biological Institute Helgoland

Bernadette Pogoda
type: Person
family name: Pogoda
given name: Bernadette
affiliation: Alfred Wegener Institute - Biological Institute Helgoland

Gunnar Gerdts
type: Person
family name: Gerdts
given name: Gunnar
affiliation: Alfred Wegener Institute - Biological Institute Helgoland

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
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

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
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

Glycogen concentration in the labial palps of Ostrea edulis during a chronic alkalinity-enhancement exposure experiment
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

Oyster mortality and physicochemical parameters in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

Tissue-accumulated nickel, chromium and cobalt concentrations in Ostrea edulis measured by ICP-OES at the end of a chronic alkalinity-enhancement exposure experiment
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

Total alkalinity and pH during a short-term feeding experiment testing the contribution of shellfish diet (Reed Mariculture SD1800) to seawater alkalinity
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

Total alkalinity and pH in the alkalization mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

Total alkalinity and pH in the exposure mesocosms of a chronic Ostrea edulis alkalinity-enhancement exposure experiment
type: CreativeWork
type: Dataset
creator: Marco Rump
creator: Gisela Lannig
creator: Christian Bock
creator: Albert Benthien
creator: Bernadette Pogoda
creator: Dominik Antoni
  type: Person
  family name: Antoni
  given name: Dominik
creator: Gunnar Gerdts
date published: 2026
additional type: dataset

Bundesamt für Naturschutz
type: Organization
alternate name: BfN

Time
type: DefinedTerm
alternate name: T

salinity
type: DefinedTerm

Temperature
type: DefinedTerm
alternate name: Θ

water
type: DefinedTerm

carbon dioxide
type: DefinedTerm

dissolved
type: DefinedTerm

Energy Density
type: DefinedTerm

Force Per Area
type: DefinedTerm

carbon
type: DefinedTerm
alternate name: C

data matrix.tab
type: FileObject
type: DataDownload
encoding format: text/tab-separated-values