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Clay and heavy minerals and total organic carbon in Arctic Ocean surface sediments – Data tables to distribution maps of Stein (2008)

Total organic carbon (TOC) and mineral assemblages are key data sets determined to characterize marine sediments in terms of sediment provenances, processes, and depositional environments. In a comprehensive review and synthesis (Stein, 2008), such data were compiled for Arctic Ocean surface sediments and shown in nine selected distribution maps: four maps of clay minerals (illite, smectite, chlorite, and kaolinite), four maps of heavy minerals (amphibole, clinopyroxene, epidote, and garnet), and one TOC map. The data used to produce these maps, are represented in the three tables of this data report. For details in background information and methodology see primary source literature cited here as well as the Stein (2008) synthesis.

Whole rock mineralogy and organic parameters of Opalinus Clay: insights from sediment cores from the Swabian Alb (southern Germany)

The Middle Jurassic Opalinus Clay (OPA) in Switzerland and southern Germany is regarded as a potential host rock for the disposal of high-level radioactive waste. This study investigates sediment samples from drill cores taken from the Swabian Alb region (southern Germany) and employs a facies-based approach combined with mineralogical analyses, measurements of cation exchange capacity (CEC), LECO C/S analyses, and Rock-Eval pyrolysis. Results are based on analyses of two fully cored scientific drillings conducted by the Federal Institute for Geosciences and Natural Resources (BGR) in the framework of the research project "SEPIA" in the Swabian Alb in Baden-Württemberg, southern Germany. The drill sites are located in the vicinity of the villages Metzingen (48.51149° N, 9.26464° E) and Röttingen (48.89905° N, 10.29520° E). At the drilling sites, the OPA is between approx. 100 m – 150 m thick and overlain by 50 m – 70 m of overburden. In Germany, the OPA can be lithostratigraphically divided into two subunits: the Teufelsloch member and the overlying Zillhausen member. This division is based on a combined lithological and stratigraphic framework (Dietze et al., 2021). Regarding lithofacies, the OPA in Switzerland and southern Germany can be broadly divided into several distinct units ("facies associations" according to Zimmerli et al., 2024). For Germany, the following three lithological facies associations (FA) were identified based on a subfacies approach: (1) a lower part that is rich in clay (FA-1), (2) a middle part that is silty (FA-2) and (3) an upper part that is silty and interbedded with calcareous(-sandy) beds (FA-3). XRD patterns of whole rock material were recorded using a PANalytical X'Pert PRO MPD θ - θ diffractometer (Co-Kα radiation generated at 40 kV and 40 mA). The samples were investigated from 3° to 80° 2 θ with a step size of 0.03° 2 θ and a measuring time of 3 sec per step. Quantitative Rietveld refinements of the experimental XRD data were conducted using the software Profex/BGMN (Döbelin & Kleeberg, 2015; Bergmann et al., 1998). Determination of cation exchange capacity (CEC) was carried out using always two different samples masses (typically 400 and 600 mg) according to the method of Meier and Kahr (1999), based on a Cu(II)triethylentetramine complex ("Cu-trien method") and measurement using VIS spectroscopy. According to Dohrmann et al. (2012), the analytical error as determined for high-CEC bentonites is generally smaller than ±3.9 cmol(+)kg⁻¹. The total carbon (TC), total organic carbon (TOC), and total sulfur (TS) were determined using a LECO CS-230 system (Laboratory Equipment Corporation). Samples were heated up to 2000 °C under an oxygen atmosphere and an infrared detector subsequently measured the amount of produced CO₂ and SO₂. TOC was measured the same way after removing inorganic carbonates using 10 % HCl solution at 80 °C. Rock-Eval Pyrolyses were performed on a Rock-Eval-6 analyser (Vinci Technologies) using up to 180 mg initial sample material and a standard program (Espitalié et al., 1977; Lafargue et al., 1998), starting isothermal with 300°C for 3 min, succeeded by a heating rate of 25°C/min up to 650°C. Standard deviations for hydrogen indices (HI) and Tmax values are ± 5 % and ± 2°C, respectively. The findings of this study underscore the importance of integrating lithofacies studies with mineralogical investigations to effectively assess the variability and comparability of clay-rich host rocks suitable for radioactive waste disposal.

Reinigung von gasförmigem Chlorwasserstoff

Die international operierende Wacker Chemie AG mit ihren vier Geschäftsbereichen Polysilicon, Silicones, Polymers und Biosolutions unterhält 27 Produktionsstätten in elf Ländern und beschäftigt rund 15.700 Mitarbeiter*innen. Der Geschäftsbereich Wacker Silicones betreibt am Standort Burghausen eine Methanolyseanlage zur Herstellung von Siloxanen. Die hergestellten Siloxane dienen als Ausgangspolymere für die Herstellung von Siliconen. Durch Umsetzung des innovativen Konzepts soll in Burghausen eine HCl (Chlorwasserstoff)-Wäsche entstehen und in die bestehende Anlage integriert werden. Bei der Herstellung von Siloxanen fallen wasserlösliche und schwer abbaubare, siliziumorganische Verbindungen als Nebenprodukte an und gelangen in die zentrale Abwasserreinigungsanlage des Werks. In einem patentierten, zweistufigen Verfahren der HCl-Wäsche wird der Chlorwasserstoff von den umweltbelastenden Verbindungen gereinigt und in einem Kreislauf dem Prozess wieder zugeführt. Damit werden künftig 90 Prozent der siliziumorganischen Verbindungen bereits in der Produktionsanlage entfernt, bevor sie ins Abwasser gelangen. Durch den Einsatz der HCl-Wäsche können jährlich rund 135 Tonnen siliziumorganische Verbindungen zurückgehalten werden und gelangen somit nicht ins Abwasser. Die TOC-Emissionen (Summe des gesamten organischen Kohlenstoffs in einer Probe) der betriebseigenen Kläranlage verringern sich um rund 20 Prozent. Die HCl-Wäscheanlage bildet den zentralen Bestandteil des Vorhabens und dient damit der Verbesserung der Wasserqualität.

Reproductive parameters and oocyte fatty acid compositions in European sprat Sprattus sprattus sampled in the Baltic Sea

Fecundity of marine fish species is highly variable, but trade-offs between fecundity and egg quality have rarely been observed at the individual level. We investigated spatial differences in reproductive investment of individual European sprat Sprattus sprattus (Linnaeus 1758) females by determining batch fecundity, condition indices (somatic condition index and gonadosomatic index) as well as oocyte dry weight, protein content, lipid content, spawning batch energy content, and fatty acid composition. Sampling was conducted in five different spawning areas within the Baltic Sea between March and May 2012. Sampling was conducted in the Baltic Sea during three cruises of the German RV “Alkor” in March (https://www2.bsh.de/aktdat/dod/fahrtergebnis/2012/20120331.htm), April (http://dx.doi.org/10.3289/CR_AL390), and May (http://dx.doi.org/10.3289/CR_AL392) 2012. Five different areas were sampled: KB, AB, Bornholm Basin (BB), Gdansk Deep (GD), and Gotland Basin (GB). Fish were caught with a pelagic trawl. Trawling time was in general 30 minutes per haul. The total lengths (TL, ±0.1 cm) of at least 200 sprat per haul were measured for length frequency analysis. Only female sprat with ovaries containing fully hydrated oocytes were sampled, running ripe females were rejected to avoid possible loss of oocytes, as this would lead to an underestimation of batch fecundity. Sprat were sampled immediately after the haul was on deck and stored on crushed ice. The sampled fish were weighed (wet mass WM, ±0.1 g) and measured (TL, ±0.1 cm), and their ovaries were dissected carefully. Oocytes were extracted from a single ovary lobe, rinsed with deionized water, and counted under a stereo microscope (Leica MZ 8). A counted number of oocytes (around 50 oocytes per fish) were transferred to pre-weighed tin-caps (8 x 8 x 15 mm). These samples were used to determine the oocyte dry weight, lipid content, and fatty acid composition. In addition, a counted number of oocytes (around 10 oocytes per fish) were sampled in Eppendorf caps for determination of protein content. Oocyte samples were stored at -80 °C for subsequent fatty acid and protein analysis in the laboratory. Finally, both ovary lobes were stored in 4% buffered formaldehyde solution for further fecundity analysis. Ovary free body mass (OFBM, ±0.1 g) of sampled frozen fish and fixed ovary mass (OM, ±0.1 g) were measured (Sartorius, 0.01 g) in the laboratory on land, to avoid imprecise measurements due to the ship's motion at sea. Absolute batch fecundity (ABF) was determined gravimetrically using the hydrated oocyte method suggested by Hunter et al. (1985) for indeterminate batch spawners. For ascertainment of the relative batch fecundity per unit body weight (RBF), ABF was divided by OFBM. Further, a condition index (CI) was determined: CI = (OFBM/〖TL〗^3 )× 100. A gonadosomatic index (GSI) was calculated with the following formula: GSI = (OM/OFBM)× 100. Oocyte dry weight was determined to the nearest 0.1 µg (Sartorius SC 2 micro-scale), using the samples stored in pre-weighed tin caps, after freeze-drying (Christ Alpha 1-4) for at least 24 hours. After subtracting the weight of the empty tin cap, the average oocyte dry mass (ODM) was then calculated by dividing the total weight by the number of oocytes contained in the tin cap. The fatty acid signature of oocytes was determined by gas chromatography (GC). Lipid extraction of the dried oocytes was performed using a 1:1:1 solvent mix of dichloromethane:methanol:chloroform. A five component fatty acid methyl ester Mix (13:0 - 21:0, Restek, Bad Homburg, Germany; c = 8.5 ng component µl-1) was added as an internal standard and a 23:0 fatty acid standard (Restek, Bad Homburg, Germany, c = 25.1 ng µl-1) was added as an esterification efficiency control. Esterification was performed over night at 50 °C in 200 µl 1% H2SO4 and 100 µl toluene. The solvent phase was transferred to 100 µl n-hexane and a 1 µl aliquot measured in a Thermo Fisher Trace GC Ultra with a Thermo Fisher TRACETM TR-FAME column (10 m*0.1 mm*0.2 µm). For more details on sample preparation and GC settings, see Hauss et al. (2012). The total lipid content per oocyte was determined by adding up the weights of all detected fatty acids. To ensure comparability with past studies, results for FA are given as a percentage of the combined weights of all detected FA. An average of 10 oocytes were transferred to 5*9 mm tin cups (Hekatech) and dried at 50 °C for >24 h. Total organic carbon (C) and nitrogen (N) content was measured using a Thermo Fisher Scientific Elemental Analyzer Flash 2000. From the total amount of N in the sample, the oocyte protein content was calculated according to Kjeldahl (Bradstreet, 1954), using a factor of 6.25. The oocyte gross energy content was calculated on the basis of measured protein and lipid content, which were multiplied with corresponding energy values from literature. The measured amount of proteins per given oocyte (P, mg) was multiplied by a factor of 23.66 J mg-1 and was added to the total amount of lipids per oocyte (L, mg) multiplied by 39.57 J mg-1 (Henken et al. 1986). Consequently, the oocyte energy content of each individual female sprat was multiplied by its relative batch fecundity in order to obtain a standardized estimate of the total amount of energy invested into a single spawning batch (SBEC, J g-1 OFBM): SBEC = [(P × 23.66 (J )/mg)+(L × 39.57 (J )/mg)]× RBF

Polycyclic aromatic hydrocarbons of sediment core Schandelah-1A, Lower Saxony Basin

The data set includes organic geochemical data, quantification of selected PAHs from the Schandelah core.

Total organic carbon in sediment cores from the Kiel Bight, SW Baltic Sea from 2016 to 2025

This dataset presents total organic carbon (TOC, wt%) contents in sediments at 19 stations in the Kiel Bight taken during the research cruises BE03/2016 (08.03.2016), BE10/2016 (19.10.2016), BE10/2018 (23.10.2018), BE03/2019 (15.03.2019), L23-13 (13.09.2023 - 15.09.2023), Sagitta24-1 (16.09.2024), Sagitta24-2 (23.09.2024), L25-2b (09.02.2025 - 17.02.2025) and EMB374 (04.09.2025 - 13.09.2025). Sediment cores (<50cm) were recovered using a Multicorer (MUC), Minicorer (MIC) or Rumohrlot (RL). The TOC analysis was performed using an Element Analyzer (Euro EA 3000). The data are used in combination with porewater and water column data to describe the sulfur geochemistry and cycling across different sites in the Kiel Bight and to identify the controlling factors governing the accumulation of hydrogen sulfide at the seafloor.

Oxygen consumption rate, organic carbon and grain size data for intertidal sediments and oxygen concentration of pore waters data of Spiekeroog Island North Beach, May 2022 to April 2023

The permeable sandy sediments of beach aquifers receive a high input of electron acceptors, such as oxygen (O2), as well as fresh organic matter through seawater infiltration, driving the biogeochemical turnover in the subterranean estuary. Here, we experimentally determined seasonal sedimentary O2 consumption rates of intertidal sediments along a transect in the seawater infiltration zone at Spiekeroog Island North Beach, Germany, and present the data together with measurements of organic carbon and grain sizes, oxygen concentration of pore waters and beach topography. The samples were taken down to 1 m depth during two-monthly sampling campaigns from May 2022 to April 2023. Preliminary investigations of O2 consumption rates took place in in March, June and August 2017. Sediment and porewater sampling procedures were carried out as described by Massmann et al. (2023). O2 consumption rates were determined in slurry incubations of the retrieved sediments using gas tight vials (Labco Exetainer® 12 ml) equipped with O2 sensor spots (Pyroscience, OXSP5). Incubations were carried out in the dark at in situ temperatures, and vials were mounted on a rotating wheel to mimic porewater advection. The sediment's total organic carbon content was determined in a CS analyser (Eltra CS 800). Additionally, the fine fraction of the sediment was washed out and the organic carbon content of the fine sediments was measured in a CHNSO analyser (Hekatech Euro EA). The grain size distribution of the sediments was detemined using dynamic image analysis (Sympatec QICPIC). The O2 concentration in the pore water along the transect was measured immediately after the sample was taken using a flow-through oxygen optode (Pyroscience, OXFTC). The data was collected to investigate the impact of seasonal inputs and filtration efficiency on the O2 consumption during seawater infiltration into the permeable sands of beach aquifers.

Organic parameters obtained from Metzingen core

The total carbon (TC), total organic carbon (TOC), and total sulfur (TS) were determined using a LECO CS-230 system (Laboratory Equipment Corporation). Samples were heated up to 2000 °C under an oxygen atmosphere and an infrared detector subsequently measured the amount of produced CO₂ and SO₂. TOC was measured the same way after removing inorganic carbonates using 10 % HCl solution at 80 °C. Rock-Eval Pyrolyses were performed on a Rock-Eval-6 analyser (Vinci Technologies) using up to 180 mg initial sample material and a standard program (Espitalié et al., 1977; Lafargue et al., 1998), starting isothermal with 300°C for 3 min, succeeded by a heating rate of 25°C/min up to 650°C. Standard deviations for hydrogen indices (HI) and Tmax values are ± 5 % and ± 2°C, respectively.

Organic parameters obtained from Röttingen core

The total carbon (TC), total organic carbon (TOC), and total sulfur (TS) were determined using a LECO CS-230 system (Laboratory Equipment Corporation). Samples were heated up to 2000 °C under an oxygen atmosphere and an infrared detector subsequently measured the amount of produced CO₂ and SO₂. TOC was measured the same way after removing inorganic carbonates using 10 % HCl solution at 80 °C. Rock-Eval Pyrolyses were performed on a Rock-Eval-6 analyser (Vinci Technologies) using up to 180 mg initial sample material and a standard program (Espitalié et al., 1977; Lafargue et al., 1998), starting isothermal with 300°C for 3 min, succeeded by a heating rate of 25°C/min up to 650°C. Standard deviations for hydrogen indices (HI) and Tmax values are ± 5 % and ± 2°C, respectively.

Water column, solid phase and porewater data in the Kiel Bight, SW Baltic Sea from 2016 to 2025

During the research cruises BE03/2016 (08.03.2016), BE10/2016 (19.10.2016), BE10/2018 (23.10.2018), BE03/2019 (15.03.2019), L23-13 (13.09.2023 - 15.09.2023), Sagitta24-1 (16.09.2024), Sagitta24-2 (23.09.2024), Hai24VE2 (24.09.2024), L25-2b (09.02.2025 - 17.02.2025) and EMB374 (04.09.2025 - 13.09.2025), CTDs were deployed and sediment corers were retrieved at 131 stations in Kiel Bight in the southwestern Baltic Sea. Water column oxygen concentrations, temperature and salinity were determined using oxygen and CTD sensors. At selected water depths, water samples were collected with Niskin bottles for the analysis of nitrate concentrations using an autoanalyzer. Short sediment cores (<50cm) were recovered using a Multicorer (MUC), Minicorer (MIC) or Rumohrlot (RL). Bottom waters were sampled from the supernatant water in the sediment cores. Solid phase sediment samples were analyzed for total organic carbon using an element analyzer. Porewater was extracted from the sediment cores uzing rhizones and analyzed for total alkalinity (titration), ammonium (photometer), sulfate (ion chromatography), hydrogen sulfide (photometer), dissolved iron (ICP-OES) and dissolved manganese (ICP-OES). The collected data will be used to (i) determine the spatial and temporal variability of hydrogen sulfide in bottom waters of the Kiel Bight, (ii) identify the controlling factors governing the accumulation of hydrogen sulfide at the seafloor, and (iii) establish an early warning system of sulfidic conditions for regional stakeholders in the Baltic Sea.

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