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25 results for “Clumped isotopes”
Clumped Isotope Data from Gar Scale Bioapatite Samples and Lab Standards
<p>We measured the clumped isotope, Δ<sub>47</sub>, composition of the carbonate in the bioapatite of modern gar scales from 19 specimens collected from eight locations in North America, with mean water temperatures ranging from 11.3 to 27.0 °C. Samples were reacted at 90 °C and standards were reacted at both 25 °C and 90 °C. Samples and standards were run on a MAT 253 dual-inlet gas-source isotope ratio mass spectrometer (Thermo Scientific, USA) housed at the Yale University Analytical and Stable Isotope Center. Raw data was processed using the most up-to-date methods (Petersen et al., 2019). Our sample reproducibility was 0.021‰ (1 SD). Our standards included cylinder CO<sub>2 </sub>(Airgas, USA), CO<sub>2</sub> equilibrated with water at 25 °C and 50 °C, Carrara marble, and the ETH carbonate anchors. Δ<sub>47</sub> data is presented as ‰, InterCarb-Carbon Dioxide Equilibrium Scale (I-CDES) 90 °C for samples and standards reacted at 90 °C and I-CDES 25 °C for standards reacted at 25 °C.</p> <p> </p> <p>We use modern climate data from Daymet V4 (Thornton et al., 2022). We convert variable water temperatures into an effective temperature <em>T</em><sub>e</sub>, which accounts for the influence of temperature on growth rate. <em>T</em><sub>e</sub> for our gar samples ranges from 13.8 to 27.1 °C. We used this dataset to create a new calibration relating temperature to the Δ<sub>47</sub> in gar scale bioapatite. The resulting calibration curve is: Δ<sub>47</sub> = (0.1206 ± 0.0171) x 10<sup>6</sup>/<em>T</em><sub>e</sub><sup>2</sup> – (0.7429 ± 0.0587) (1 SE), with <em>R</em><sup>2</sup> = 0.75.</p>
Atmospheric clumped O2 isotope composition simulation data and analysis scripts from EMAC/aMC models
<p>This publication contains source code, data and analysis scripts/results of the simulations presented in the following manuscript:</p> <blockquote> <p>Laskar, A.H., G.A. Adnew, S.S. Gromov, R. Peethambaran, B. Steil, J. Lelieveld, T. Blunier and T. Röckmann (2022). "Large variations in atmospheric oxidants and temperature during the Holocene" (in review)</p> </blockquote> <p> </p> <p><strong>EMAC simulations analysis</strong></p> <p>The analysis contains integrals of species burdens and other atmospheric physicochemical parameters obtained with the clumped isotopes of oxygen (CIO)-enabled ECHAM/MESSy Atmospheric Chemistry model (EMAC, see <a href="https://www.messy-interface.org">MESSy consortium website</a> for more information) model in various climate states. Simulations were performed in 2021–2022 at the <a href="https://www.dkrz.de">German Climate Computing Centre</a> (DKRZ) with the support of the <a href="https://www.palmod.de">PalMod project</a>.</p> <p>Analysis data is stored in human/machine-readable file <code>D36-EMAC-analysis.dat</code>, please refer to its header for variables description, etc.</p> <p>Additional (to those presented in the manuscript) analysis plots from EMAC data analysis are available in <code>D36-EMAC-analysis.vsz</code> (see the hardcopy in <code>D36-EMAC-analysis.pdf</code>) prepared using the <a href="https://veusz.github.io">Veusz</a> software.</p> <p> </p> <p><strong>2BM/MC (two-box Monte-Carlo) model code, simulation data and analysis</strong></p> <p>2BM/MC code/simulation setup is implemented within the advanced Monte-Carlo framework (aMC) and is available in the <a href="https://gitlab.com/sergey.gromov/amc/-/tree/vpCIO">respective repository</a>. A copy of the source code used to perform simulations is provided here (see <code>aMC-vpCIO.tar.gz</code> archive).</p> <p>2BM/MC output is stored in the <a href="https://www.unidata.ucar.edu/software/netcdf/">netCDF format</a> (ver. 4) and can be read in by any compatible software. The output contains probe statistics (reference <em>probed</em> distributions of the variables) in <code>vpCIO-probe_stat-*.nc</code> and resulting statistics (distributions <em>matching</em> given criteria, i.e. changes to the Δ36 signature vs. PD conditions) in <code>vpCIO-delta-*.nc</code> files, respectively.</p> <p>We use <a href="https://ferret.pmel.noaa.gov">NOAA Ferret</a> software to derive additional statistics of the third parameter (viz. average STE (<em>S</em>) changes) over the obtained 2D frequency histograms of other parameters (viz. changes to equilibration rate (<em>Req)</em> and temperature (<em>Teq</em>)). The scripts exemplifying this calculation are presented in <code>D36-vpCIO-analysis__proc*</code> files, which output results/overview plots in <code>vpCIO-delta-*__proc.nc</code> and <code>vpCIO-delta-*.gif</code> files.</p> <p>The analysis of the 2BM/MC simulation is available in <code>D36-vpCIO-analysis.vsz</code> script (see the hardcopy in <code>D36-vpCIO-analysis.pdf</code>) prepared using the <a href="https://veusz.github.io">Veusz</a> software. Note that some plots require the abovementioned third-parameter statistics as input.</p> <p><strong>Performing simulations with 2BM/MC</strong></p> <p>In order to perform simulations (e.g. with altered parameters), please follow the <a href="https://gitlab.com/sergey.gromov/amc/-/tree/vpCIO#integrating-your-code-building-executing">respective guide</a> for and build the <code>aMC-vpCIO</code> model. A typical sequence of shell commands to build and run 2BM/MC (which is referred to as <code>vpCIO</code> generic model within the <code>aMC</code>) is:</p> <pre><code># clone the distribution and check-out `vpCIO` branch or particular commit referenced in the repository history [user@pc]/~> git clone https://gitlab.com/sergey.gromov/amc.git [user@pc]/~> cd amc [user@pc]/~/amc> git checkout vpCIO # or unpack the source code available in this publication: [user@pc]/~> tar -xvf `aMC-vpCIO.tar.gz` [user@pc]/~> cd amc # build the aMC/vpCIO model executable # (note that you need at least a GCC or Intel compiler suite and respective netCDF v.4 library Fortran interface available in your environment): [user@pc]/~/amc> make vpCIO # adjust model setup (see the `vpCIO/amc.nml` namelist) ... # perform simulation [user@pc]/~/amc> cd vpCIO [user@pc]/~/amc/vpCIO> ./xamc # calculate additional statistics/produce overview with NOAA Ferret: [user@pc]/~/amc/vpCIO> ferret -gif -script D36-vpCIO-analysis__proc.jnl MH [user@pc]/~/amc/vpCIO> ./D36-vpCIO-analysis__proc</code></pre> <p>Note that output files contain the build timestamp and repository commit hash for the code used in the simulation, e.g.:</p> <pre><code>[user@pc]/~/amc/vpCIO> ncdump -h ./vpCIO-delta-dMH.nc | grep 'build' :build = "vpCIO@https://gitlab.com/sergey.gromov/amc__aMC_v1.9-110-g2566229@2022-12-09T16:43:12+01:00__built@2022-12-09T16:48:03+01:00__<user>@<email.com>" ;</code></pre> <p> </p> <p>Please contact Sergey Gromov ( sergey.gromov (at) mpic.de ) for additional information and access to the original experiment data.</p> <p> </p>
Simulation data and software scripts used in calculus of ∆36 signature from EMAC clumped O2 isotope-inclusive model
<p>This publication contains simulation data and software scripts for calculating quantities related to clumped oxygen isotope signature (∆<sub>36</sub>) derivation, as described in the "static" framework of Yeung‍ et‍ al. (2016), hereinafter "Y16") and subsequently used in Yeung‍ et‍ al.‍ (2019) analysis. We provide the output of the 1950–2011 transient simulation with EMAC model with explicit "dynamic" simulation of ∆<sub>36</sub> (i.e. <sup>18</sup>O<sup>18</sup>O isotopologues undergoing transport, mixing and O(<sup>3</sup>P)-mediated isotope equilibration) to demonstrate the importance of several assumptions/simplifications involved in the static calculus.</p> <p> </p> <p>Please refer to .README.pdf for details.</p>
Clumped-isotope constraint on upper-tropospheric cooling during the Last Glacial Maximum
<p>Ice cores and other paleotemperature proxies, together with general circulation models, have provided information on past surface temperatures and the atmosphere's composition in different climates. Little is known, however, about past temperatures at high altitudes, which play a crucial role in Earth's radiative energy budget. Paleoclimate records at high-altitude sites are sparse, and the few that are available show poor agreement with climate model predictions. These disagreements could be due to insufficient spatial coverage, spatiotemporal biases, or model physics; new records that can mitigate or avoid these uncertainties are needed. Here, we constrain the change in upper-tropospheric temperature at the global scale during the Last Glacial Maximum (LGM) using the clumped-isotope composition of molecular oxygen trapped in polar ice cores. Aided by global three-dimensional chemical transport modeling, we exploit the intrinsic temperature sensitivity of the clumped-isotope composition of atmospheric oxygen to infer that the upper troposphere (effective mean altitude 10 – 11 km) was 6-9ºC cooler during the LGM than during the late preindustrial Holocene. A complementary energy balance approach supports a minor or negligible steepening of atmospheric lapse rates during the LGM, which is consistent with a range of climate model simulations. Proxy-model disagreements with other high-altitude records may stem from inaccuracies in regional hydroclimate simulation, possibly related to land-atmosphere feedbacks.</p>
Acid fractionation during carbonate digestion with phosphoric acid – Assessment of two different techniques applied for clumped and stable isotope analysis using a Tuneable Infrared Laser Differential Absorption Spectrometer (TILDAS) [dataset]
<p>Date files : </p> <table> <tbody> <tr> <td> <p>Data 1 (Relationship between Mixing ratio difference of sample and WRG and D638 value).xlsx;Data 2 (Role of bulk isotope composition (δ628 & δ636) on Δ638).xlsx;Data 3 (CDES scale conversion).xlsx;Data 4 (VPDB scale conversion for d628 and d636).xlsx;Data 5 (Reference material values).xlsx;Data 6 (Break seal method acid fractionation factor of calcite).xlsx;Data 7 (IAB method acid fractionation factor of calcite).xlsx</p> </td> </tr> </tbody> </table>
Clumped-isotope constraint on upper-tropospheric cooling during the Last Glacial Maximum
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Supplementary Data to Dual clumped isotope thermometry resolves kinetic biases in carbonate formation temperatures
<p>In this dataset, we provide analytical and model data to <em>Dual clumped isotope thermometry resolves kinetic biases in carbonate formation temperatures</em> by Bajnai et al. (2020). Also deposited here is the R code that we used to calculate the equations and generate the figures in the manuscript.</p>
Grain size and clay mineralogy data of the Esplugafreda sequence (Spain) with stable carbon, oxygen and clumped isotope data of soil carbonates
<p>This datasets contains 1) grain size distribution data of mudstone paleosols of the Esplugafreda sequence (Esplugafreda and Claret Formations) measured by laser diffraction, and 2) clay mineralogy measured by powder X-ray diffraction, as well as 3) stable carbon, oxygen and clumped (D47) isotope compositions of soil carbonates. The Esplugafreda sequence is found in the Tremp-Graus Basin in the southern forefront of the Pyrenees and consists of continental sediments formed in a coastal alluvial setting during the late Paleocene and early Eocene.</p> <p>In addition, a proxy dataset of late Paleocene and PETM continental temperatures of the northern hemisphere is also included.</p>
Meterological and stable carbon, oxygen and clumped isotope data of land snails Clausilia pumila, Succinella oblonga and Trochulus hispidus from Europe
<p>These data include site information and collection dates of land snails (Clausilia pumila, Succinella oblonga and Trochulus hispidus), meteorological data of collection sites of molluscs derived using the ClimateEU software, as well as carbon, oxygen and clumped isotope compositions of snail shells of the mentioned three species from culturing experiments and natural populations across Europe. During the laboratory experiments individuals of the three species were kept at 12, 18 and 24 Celsius temperatures in climate chambers, fed exclusively by fresh lettuce and humidity was controlled using tap water (d18O: -9.29+-0.52 permil, V-SMOW). d13C, 18O and D47 values of snail shells from lab experiments and field-collections were determined in two laboratories (Isnt. for Nuclear Research, Debrecen, and Geological Institute, ETH Zürich) using IRMS. Detailed analysis and interpretations of the results obtained can be read in the original publication. </p>
Supplementary dataset for: Carbonate Clumped Isotope Constraints on Early Triassic NeoTethyan Seawater Oxygen Isotope Compositions and Temperatures
<p><span>The dataset includes data generated for the study titled:</span> <strong><span>Carbonate Clumped Isotope Constraints on Early Triassic NeoTethyan Seawater Oxygen Isotope Compositions and Temperatures</span></strong></p> <p><span>The Excel file includes </span></p> <ol> <li><span>Clumped isotope data for analyzed brachiopod calcites, bulk rock micrite, as well as analytical standards (Tables S1 and S2).</span></li> <li><span>Rare Earth element concentration data for brachiopod samples analyzed (Table S3)</span></li> <li><span>Element/Ca ratios for analyzed samples (Table S4).</span></li> </ol> <p> </p> <p> </p>
Supplementary Dataset for "Exploring the temperature dependence of clumped isotopes in modern Porites corals"
<p>This supplementary dataset contains raw isotopic values used to generate all figures in the article "Exploring the temperature dependence of clumped isotopes in modern <em>Porites </em>corals” by Guo et al. </p>
Stable isotope data for oxygen and hydrogen and electron microprobe data in phyllosilicates and clumped isotopes of carbonates from paleosols, Illinois Basin, USA
<p>Datasets including stable isotope data for oxygen and hydrogen of phyllosilicates, electron microprobe data of phyllosilicates, and clumped isotope data of carbonates from paleosols of the Illinois Basin, accompanying publication.</p>
Data reported in: Effects of ozone isotopologue formation on the clumped-isotope composition of atmospheric O2
<p>Tropospheric <sup>18</sup>O<sup>18</sup>O is an emerging proxy for past tropospheric ozone and free-tropospheric temperatures. The basis of these applications is the idea that isotope-exchange reactions in the atmosphere drive <sup>18</sup>O<sup>18</sup>O abundances toward isotopic equilibrium. However, previous work used an offline box-model framework to explain the <sup>18</sup>O<sup>18</sup>O budget, approximating the interplay of atmospheric chemistry and transport. This approach, while convenient, has poorly characterized uncertainties. To investigate these uncertainties, and to broaden the applicability of the <sup>18</sup>O<sup>18</sup>O proxy, we developed a scheme to simulate atmospheric <sup>18</sup>O<sup>18</sup>O abundances (quantified as ∆<sub>36</sub> values) online within the GEOS-Chem chemical transport model. These results are compared to both new and previously published atmospheric observations from the surface to 33 km. Simulations using a simplified O<sub>2</sub> isotopic equilibration scheme within GEOS-Chem show quantitative agreement with measurements only in the middle stratosphere; modeled ∆<sub>36</sub> values are too high elsewhere. Investigations using a comprehensive model of the O-O<sub>2</sub>-O<sub>3</sub> isotopic photochemical system and proof-of-principle experiments suggest that the simple equilibration scheme omits an important pressure dependence to ∆<sub>36</sub> values: the anomalously efficient titration of <sup>18</sup>O<sup>18</sup>O to form ozone. Incorporating these effects into the online ∆<sub>36</sub> calculation scheme in GEOS-Chem yields quantitative agreement for all available observations. While this previously unidentified bias affects the atmospheric budget of <sup>18</sup>O<sup>18</sup>O in O<sub>2</sub>, the modeled change in the mean tropospheric ∆<sub>36</sub> value since 1850 C.E. is only slightly altered; it is still quantitatively consistent with the ice-core ∆<sub>36</sub> record, implying that the tropospheric ozone burden increased less than ~40% over the twentieth century.</p>
Supporting information for "Thermal alteration history of Fenghuoshan Group, Hoh Xil Basin, northern Tibetan Plateau: Insights from clumped isotope thermometry"
<p>The supporting information includes raw isotopic analysis data for "Thermal alteration history of Fenghuoshan Group, Hoh Xil Basin, northern Tibetan Plateau: Insights from clumped isotope thermometry" by Kong et al.</p>
Supplementary Dataset for "Synthetic Witherite for Standardization of Clumped Isotope (Delta 47) Analyses"
<p>This supplementary dataset contains raw clumped isotopic data used to generate figures in the article "Synthetic Witherite for Standardization of Clumped Isotope (Delta 47) Analyses" by Kong et al. </p>
Data reported in: Effects of ozone isotopologue formation on the clumped-isotope composition of atmospheric O2
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Constraining carbonate diagenesis using clumped isotope temperatures and U-Pb dating: a case study from the Gerze area in western central Tibet and implications for paleoelevation interpretations
<p>Data S1: clumped isotope data of new samples; Data S2: clumped isotope data of standards; and Data S32: carbonate LA-ICPMS U-Pb data</p>
Alteration of carbonate clumped isotope composition by burial heating in foreland sediments of the Himalaya- Raw data and tables
<p>The file "Raw_data" includes all raw data relevant to the study titled "Alteration of carbonate clumped isotope composition by burial heating in foreland sediments of the Himalaya". It contains four sheets:</p> <p>1- General information about data processing in our lab and the specific parameters for the analytical session relevant to this study.</p> <p>2-Raw data for all individual analyses of unknown samples.</p> <p>3-Raw data for all individual analyses of carbonate standards.</p> <p>4-Raw data for all individual analyses of CO2 gases.</p> <p>The file "complete data and tables" includes all tables in the manuscript and all data needed to create the figures in the manuscript. </p>
Clumped isotope measurements reveal aerobic oxidation of methane below the Greenland ice sheet
<p><strong><span>Archive Data</span></strong></p> <p><strong><span>Author(s)</span></strong></p> <p><span>Getachew Agmuas Adnew, Thomas </span><span>R</span><span>o</span><span>¨</span><span>c</span><span>kmann</span><span>,</span><span> </span><span>Thomas Blunier, Christian<span> </span>Juncher<span> </span>Jørgensen,<span> </span>Sarah<span> </span>Elise<span> </span>Sapper,<span> </span>Carina<span> </span>van<span> </span>der<span> </span>Veen,</span></p> <p><span>Malavika<span> </span>Sivan,<span> </span>Maria<span> </span>Elena<span> </span>Popa,<span> </span>Jesper<span> </span>Riis<span> </span><span>Christiansen</span></span><strong><span> </span></strong></p> <p><strong><span>Title</span></strong></p> <p><span>Clumped isotope measurements reveal aerobic oxidation of methane below the Greenland ice sheet</span></p> <p><strong><span>Description</span></strong></p> <p><span>Data collection related to the manuscript/paper " Clumped isotope measurements reveal aerobic oxidation of methane below the Greenland ice sheet".</span></p> <p><span> </span></p> <p><span>The data are the basis for figure 4, 5, 6,7 and 9, table 1 and supplementary figure 2 in manuscript/paper. The data is provided as an excel file as described below. </span></p> <p><em><span>Sheet 1</span></em><span>: Mass scan for clumped methane measurement cup configuration. This data set is used to produce figure 4. </span></p> <p><em><span>Sheet 2</span></em><span>: <span> </span>contains all data for the concentration and isotope composition of methane <span> </span>(bulk and clumped isotope) and the </span><span>𝛅</span><span>13C of carbon dioixed . These data is provided in Table 1 and used to produce Figure 5 <span> </span>to 7 and supplemetary figure 2</span></p> <p><em><span>Sheet 3</span></em><span>: Water isotope data of the subglacial melt water</span></p> <p><em><span>Sheet 4</span></em><span>: Data for end pont members used to produce Figure 9</span></p> <p><span> </span></p> <p><span>2.1 Site description</span></p> <p><span>The study site is located at an elevation of 450 m above sea level at a lateral subglacial meltwater outlet on the southern flank at the terminus of the Isunnguata Sermia Glacier at the western margin of the GrIS (67°09’16.40’’N 50°04’08.48’’W). </span></p> <p><span>The area in front of the meltwater outlet consists of abraded granodioritic gneiss bedrock with large boulders and patches of gravel, sand and silt deposited by meltwater. The glacier front contained highly irregular cracks and air-filled cavities, which changed over the season as the ice melted and deformed. </span></p> <p><span> </span></p> <p><span>2.2. Collection of air samples </span></p> <p><span>Air samples were collected in june 2022 from the ice cave using a small compressor that compressed ambient air into pre-evacuated 6 and 15 L volume canisters to a final pressure of 3 bar (Entech Instruments,USA) (Figure 2 and 3). The mole fraction of CH4 and CO2 in the air sampled was monitored with a microportable Greenhouse Gas Analyzer (MGGA) (GLA131-GGA, ABB-Los Gatos Research, San Jose, CA, USA). Background air was collected at the top of the glacier in 2 L volume stainless steel canisters.</span></p> <p><span> </span></p> <p><span>2.2. Collection of water samples </span></p> <p><span>We collected water samples from the subglacial meltwater at the margin of ISG for water isotope analysis in June 2022 between 12:00 and 15:00 (local time). The water samples were filtered using 0.45 µm pore size syringe filters and stored in an amber glass with a small headspace in a refrigerator prior to analysis. </span></p> <p><span> </span></p> <p><span>2.7 Isotopic analyses of gas and water samples</span></p> <p><span> </span></p> <p><span>The bulk isotope composition (δ13C(CH4) and δD(CH4)) and clumped isotopes (∆13CH3D and ∆12CH2D2) of CH4 were measured using a high-resolution gas source isotope ratio mass spectrometer (HR-IRMS) (Thermo Scientific, Germany) in dual inlet mode at Utrecht University. CH4 from air samples was extracted using cryogenic separation (see Figure 3). The extraction process employed two traps to remove CO2 and other condensable gases, followed by a charcoal trap to collect CH4, all operated at a temperature of liquid nitrogen (-196°C). Further purification of CH4 was achieved using a custom-made gas chromatography setup with two columns: a stainless steel column packed with molecular sieve to separate gases like H2, Ar, O2, and N2 and a second column packed with HayeSep-D porous polymer to separate CH4 from higher-order hydrocarbons such as C2H6 and C3H8.</span></p> <p><span> </span></p> <p><span>The isotopic composition of CO2 (δ13C) was analyzed with the CF-IRMS system at Utrecht University. In short, the CO2 is cryogenically separated from the air, further purified chromatographically, and then injected into the IRMS via an open split inlet. The results are related to the VPDB and VSMOW scales via a reference air cylinder with known isotopic composition. </span></p> <p><span> </span></p> <p><span>Water isotopes were measured at Physics of Ice and Climate (PIC), Niels Bohr Institute, University of Copenhagen, Denmark with a cavity ring-down spectroscopy (Picarro L2130, PICARRO, USA).</span></p>
Supplementary Dataset for "Experimental constraints on clumped isotope fractionation during BaCO3 precipitation"
<p>This supplementary dataset contains raw geochemical data used to generate figures in the article "Experimental constraints on clumped isotope fractionation during BaCO3 precipitation" by Guo et al. </p>
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