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196 results for “13C”
Total dissolved nitrogen (TDN), dissolved organic carbon (DOC), radiocarbon (14C-DOC), and stable carbon (13C-DOC) of surface waters from the Canning River watershed, 2019 and 2021
Sites along the Canning River mainstem and contributing streams near the Kavik River Camp, Alaska, were visited to track changes in stream and river total dissolved nitrogen (TDN) concentration, dissolved organic carbon (DOC) concentration, and the stable carbon (13C) and radiocarbon (14C) isotopic composition of DOC across transitions between the Brooks Range, Brooks foothills, and Arctic Coastal Plain. The dataset also includes water samples collected from lakes, springs, groundwater, and streams and rivers outside the Canning River watershed. Water samples were collected in late April and early August 2019 and in late July and early August 2021. Data include measurements of individual samples for TDN (milligrams nitrogen per liter), DOC (milligrams carbon per liter), carbon-13 of DOC (reported as delta-13C, per mil), carbon-14 of DOC (reported as fraction modern), and analytical error in the fraction modern values. Additional water chemistry data for these samples can be found in Koch et al. (2024). References: Koch, J. C., Connolly, C. T., Repasch, M., Best, H. R., Couvillion, C. S., Hunt, A. (2024). [Dataset] Hydrochemistry and age date tracers from springs, streams, and rivers in the Arctic National Wildlife Refuge, 2019-2022, U.S. Geological Survey data release, https://doi.org/10.5066/P95CXJIT.
Ramped Pyrolysis Oxidation (RPO) coupled radiocarbon (14C-DOC) and stable carbon (13C-DOC), high-resolution molecular composition (FT-ICR MS), and biodegradable dissolved organic carbon (BDOC) of groundwater, river water, and lagoon water in northeast Alaska, 2017
Supra-permafrost groundwater (SPGW), river water, and lagoon water were sampled near Kaktovik, AK to assess the reactivity and origin of dissolved organic matter (DOM) across interconnected hydrologic systems during late summer. Water samples were collected on August 17th 2017 from SPGW along the beach of Jago Lagoon (Jago GW), surface water from the Jago River’s main channel above tidal influence (Jago R), and from the water column of Kaktovik Lagoon at 2–3 m depth (KA LW). Measurements were made from grab samples for river and lagoon water, and from a composite sample for SPGW gathered from 10 individual shoreline locations. Data include dissolved organic carbon concentration (DOC, mg C L-1), Ramped Pyrolysis Oxidation (RPO) derived fraction compositions of 13C-DOC (δ13C ‰), 14C-DOC (in fraction modern), and method/instrumental error in the 14C and 13C results, and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) molecular composition and summarized compound classes. Biodegradable DOC (BDOC) bottle experiments were performed using all three sample types, where DOC concentration was subsequently measured at 2, 7, 14, and 28 days. FT-ICR MS composition was subsequently measured at the 28-day timepoint to track changes in molecular formulae and compound class relative abundance following biodegradation. Data from RPO serial thermal oxidation include temperature and normalized CO2 profiles for each background sample. Thermal-oxidation profiles of CO2 were transformed into non-parametric activation energy (E) distributions using an inverse model. Model output includes C mass of oxidized CO2 (µg C), Tmax (K), Emax (kJ mol-1), Emean (kJ mol-1), Estd (kJ mol-1), and p(0,E)max of user-defined sample fractions. FT-ICR MS results include a summary table of the relative abundance of compound classes (e.g., unsaturated phenolic, polyphenolic, aliphatic, condensed aromatics, peptide-like) and elemental groupings (e.g., CHO-type, CHON-type, CHOS-type, CHON
DIC and DOC 13C tracer data from Shark River Slough and Harney River (FCE), Everglades, South Florida in November 2011
As part of the larger NSF WSC funded project, an SF6 tracer study was conducted in November of 2011 by working groups form ENP, FIU and Univ. of Hawaii. This work included the release of the tracer (SF6), which was sampled in a lagrangian approach as the tracer “patch” moved from the fresh water portion of the system to the mangrove ecotone along the Shark and Harney Rivers. The goal of this study was to measure carbon export through the system. Annie Palya used our new CRDS system to measure the isotopic composition (d13C) of the DOM & DIC (analyzed at RSMAS) during this study, as carbon isotopes may help to resolve different sources of carbon. This analytical approach is relatively new, and will be important for understanding the C-dynamics within the FCE.
Size-fractionated net primary productivity (NPP) estimates based on 13C uptake during cruises along the Northeast U.S. Shelf Long Term Ecological Research (NES-LTER) Transect, ongoing since 2019
This dataset consists of primary production measurements based on uptake of carbon-13 added as 13C-bicarbonate during 24-h deckboard incubations of seawater. Sampling occurred on cruises along the Northeast U.S. Shelf Long Term Ecological Research (NES-LTER) Transect during summer, fall, and winter, starting in summer 2019. Net primary production (NPP) was determined from particulate organic carbon (POC) content and associated stable isotope enrichment. Three data tables are included: 1. Depth-specific primary productivity based on fractional light levels of the surface irradiance with reference to the profile of photosynthetically active radiation (PAR). 2. Integrated primary productivity. 3. Natural abundance POC. The tables derive from the raw data included as other entities.
NMR data for "Rapid and simple 13C-hyperpolarization by 1H dissolution dynamic nuclear polarization followed by an in-line magnetic field inversion"
<p>Liquid-state and solid-state NMR data for "Rapid and simple 13C-hyperpolarization by 1H dissolution dynamic nuclear polarization followed by an in-line magnetic field inversion".</p> <p>The data enclosed are NMR data generated by the software Topspin by Burker Biospin. The experiments are dDNP runs that come in two parts: a solid-state and a liquid-state part.</p> <ul> <li>Experiments from 1 to 9 are reference experiments used to quantify polarization in other experiments</li> <li>Experiments 11-19, 21-29, 31-39, ... 61-69 correspond to 6 dDNP runs performed a different samples from the same batch. The numbers correspond between solid and liquid-state datasets</li> </ul> <p>The codes used to analyze the data are available at in a next upload.</p> <p>Refer to the main text of the paper and its supplementary material at 10.26434/chemrxiv-2023-6gd0l for more information.</p>
Concentration of dissolved inorganic carbon (DIC) and del 13C isotope value for lakes and rivers on North Slope from Brooks Range to Prudhoe Bay, Arctic LTER 1988 to 1989.
Concentration of dissolved inorganic carbon (DIC) and del 13C isotope value for lakes and rivers on North Slope from Brooks Range to Prudhoe Bay, Arctic LTER 1988 to 1989.
Next generation global ice-ocean-biogeochemistry coupled model with 13C-cycling (GFDL MOM5-BLING13C)
<p> </p> <p>======= DESCRIPTION =======</p> <p>This is the model output supporting our paper <em>A next generation ocean carbon isotope model for climate studies I: Steady state controls on ocean <sup>13</sup>C</em> (2021 Global Biogeochemical Cycles).</p> <p>This model output simulates the transient response of ocean carbon biogeochemistry to anthropogenic CO<sub>2</sub> and <sup>13</sup>CO<sub>2</sub> atmospheric emissions with a nominal lateral resolution of 1° and 50 vertical levels. The model uses the NOAA's Geophysical Fluid Dynamics Laboratory (GFDL) MOM5 coupled to the NOAA-GFDL Biogeochemistry with Light Iron Nutrients and Gas (BLING) with <sup>13</sup>C-cycling. Atmospheric forcing is prescribed using the repeating annual cycle of the Common Ocean Reference Experiment version 2 normal year forcing dataset (COREv2-NYF). The implementation of <sup>13</sup>C-cycling applies isotopic fractionations during air-sea gas exchange, photosynthetic production of organic matter, and formation of calcium carbonate. The sensitivity of dissolved inorganic <sup>13</sup>C in the ocean to the CO<sub>2</sub> gas exchange rate is explored by repeating the simulation twice, once using the latest OMIP-CMIP6 protocol for the k-U<sub>10 </sub>parameterization (standard) and once using the previous OCMIP2 protocol (fast-gas-exchange).</p> <p> </p> <p>Files information:</p> <ul> <li><strong>ocean_static.nc</strong>: Static fields (longitude, latitude, area).</li> <li><strong>1990-2002.ocean_month.nc</strong>: Monthly output between 1990 and 2002 of ocean physical variables (temperature, salinity, averaged mixed layer depth, maximum mixed layer depth).</li> <li><strong>1990-2002.ocean_bling_trc_month_CMIP6.nc</strong>: Monthly output between 1990 and 2002 of biogeochemical variables* for the simulation using the OMIP-CMIP6 air-sea gas exchange protocol.</li> <li><strong>1970_1989_d13c_org_mldave_CMIP6.nc</strong>: Monthly output between 1970 and 1989 of d<sup>13</sup>C of organic matter averaged over the mixed layer.</li> <li><strong>1990-2002.ocean_bling_trc_month_OCMIP2.nc</strong>: Monthly output between 1990 and 2002 of biogeochemical variables* for the simulation using the OCMIP2 air-sea gas exchange protocol.</li> </ul> <p>* Biogeochemical variables are dissolved inorganic carbon, dissolved inorganic carbon-13, oxygen, and dissolved inorganic phosphate.</p> <p> </p> <p>======= HOW TO CITE =======</p> <p>This model output can be freely distributed, but please cite it using the following paper:</p> <p>Claret, M., Sonnerup, R. E., & Quay, P. D. (2021). A next generation ocean carbon isotope model for climate studies I: Steady state controls on ocean <sup>13</sup>C. <em>Global Biogeochemical Cycles</em>, 35, e2020GB006757. <a href="https://doi.org/10.1029/2020GB006757">https://doi.org/10.1029/2020GB006757</a></p> <p> </p> <p>======= ACKNOWLEDGEMENTS =======</p> <p>This work was funded by the National Science Foundation (NSF-OCE 1356756 and NSF-OCE 1829796). We would also like to acknowledge high-performance computing support from Cheyenne (<a href="https://doi.org/10.5065/D6RX99HX">doi:10.5065/D6RX99HX</a>) provided by NCAR's Computational and Information Systems Laboratory, sponsored by the NSF.</p> <p> </p> <p>======= QUESTIONS AND REQUESTS? =======</p> <p>Please contact Mariona Claret (mclaret@uw.edu) or Rolf Sonnerup (rolf@uw.edu).</p> <p> </p>
Predicted 13C NMR Chemical Shifts of Natural Products
<p>The Natural Product structures are those from the <a href="https://zenodo.org/record/5336220">COCONUTv5 database</a> .</p> <p>Predictions were obtained by means of the "Check Chemical Shifts" method from <a href="https://www.acdlabs.com/">ACD/Labs</a> C+H NMR Predictors and DB software, version 2020.1.0.</p> <p>The acd_coconut.zip archive contains a single file, acd_coconut.sdf, a collection of 2D structures from COCONUT supplemented by <sup>13</sup>C NMR chemical shifts values from ACD/Labs CNMR Predictor in verification mode.</p> <p>The file mol1.sdf describes the first compound in acd_coconut.sdf and indicates how chemical shift values are encoded.</p> <p>SDF tags related to NMR:</p> <ul> <li><CNMR_SHIFTS> for ACD/Labs DB software</li> <li><Predicted 13C shifts>, <Quaternaries>, <Tertiaries>, <Secondaries>, <Primaries> for <a href="https://sourceforge.net/projects/mixonat/">MixONat</a></li> <li><NMREDATA_ASSIGNMENT>, <NMREDATA_ORIGIN> in the style of <a href="https://nmredata.org/">NMReDATA</a></li> </ul> <p>The calculation workflow is based on tools developped <a href="https://github.com/nuzillard/KnapsackSearch/">here</a>.</p> <p>No attempt was made to change unlikely tautomers (like aliphatic iminols standing for aliphatic amides). Unlikely structures are likely associated to unlikely predicted chemical shift value sets.</p>
Data on soil compounds, respiration and incorporation of 13C-labeled substrate
<p>Root exudation increases the concentration of readily available carbon (C) compounds in its immediate environment. This creates ‘hotspots’ of microbial activity characterized by accelerated soil organic matter turnover with direct implications for nutrient availability for plants. However, we still lack a deeper understanding of the microbial metabolic processes that occur in the immediate vicinity of the roots during and after a root exudation event. Even though theoretical concepts have been developed, the direct consequences of root exudation on microbial metabolism and nutrient availability have never been measured in their immediate environment in intact soil.</p> <p>Here, we used reverse microdialysis to simulate root exudation by releasing a <sup>13</sup>C-labelled mix of low-molecular-weight organic C compounds at discrete, mm-sized locations in undisturbed soil in combination with <sup>13</sup>C stable isotope tracing. This approach allowed us to investigate the fine-scale temporal and spatial response of microbial metabolism and soil chemistry to root exudation at the mm-scale, and to trace microbial respiration and uptake of exuded compounds.</p> <p>Our results show that a 9-hour simulated root exudation pulse leads to i) a large local respiration event and ii) alteration of the temporal dynamics of soil metabolites over the following twelve days right at the spot of exudate release. Notably, we observed an approximately threefold increase in ammonium concentrations twelve hours after the pulse and increased nitrate concentrations five days after the pulse. We also observed an increase of various short-chain fatty acids, such as acetate, propionate and formate over the following days, indicating altered microbial metabolic pathways and activity. Phospholipid and neutral lipid fatty acids (PLFAs and NLFAs) of all major microbial groups were significantly enriched in <sup>13</sup>C within a radius of 5 mm around the microdialysis probes, but not beyond. The highest relative <sup>13</sup>C enrichment was observed in fungal NLFAs, indicating that a significant proportion of the exuded compounds had been incorporated into fungal storage compounds.</p> <p>Our findings indicate that the punctual release of low-molecular weight organic C compounds into intact soil significantly changes microbial metabolism and activity in its immediate surroundings, which lead to enhanced mineralisation of native organic nitrogen (N). Our observations emphasise the versatility of microbial metabolic pathways that underlie the response of soil microbes to rapidly altered C availability. They furthermore demonstrate the effectiveness of this response, as triggered by root exudation pulses, to increase nutrient availability for plants around the root.</p>
An assessment of acd_lotus for the structural dereplication of natural products using 13C NMR spectroscopy data.
<p> A method that relies on carbon-13 nuclear magnetic resonance (NMR) spectroscopy, elaborated in earlier works of the author's research group, requires the availability of a dedicated database that establishes relationships between chemical structures, biological and chemical taxonomy, and spectroscopy. The construction of such a database, called <a href="https://doi.org/10.5281/zenodo.6621129">acd_lotus</a>, was reported earlier and its usefulness was only illustrated by <a href="https://doi.org/10.1002/cmtd.202200054">three examples</a>. This dataset provides the results of structure searches carried out starting from 58 carbon-13 NMR data sets recorded on compounds selected in the metabolomics section of BMRB, the biological magnetic resonance bank.</p> <p>Correction in the JSON file of ascochitine.</p> <p>Addition of a CSV file according to <a href="https://doi.org/10.1186/s13321-021-00520-4">Schymanski and Bolton</a> for the description of the selected compounds.</p> <p>Better PNG drawings for compounds 28, 38, 46, and 57.</p> <p>Better PNG drawing for compounds 7 and 26.</p>
Primary data – 13C Solid-State Buildup and Microwave Sweep Profiles in a DNP Polarizer
<p>These primary datasets consist of:</p> <p>1. 13C polarization buildup data in solid-state</p> <p>2. 13C microwave profiles in solid state</p> <p>Please consult the Archive Guide.</p>
Del 13C-CO2 of in situ soil respiration post tracer addition
This dataset contains non-destructive, sequential 13C isotope measurements of soil CO2 flux following injection in situ with isotopically labeled glycine or deionized water (DIW). Data derive from a multiyear experiment covering seven forest ecosytem types located across three major biomes: southern temperate, northern temperate, and boreal forest. This data can be sorted and viewed by stand type, field replicate, treatment (glycine vs. DIW), sampling period (0.75-336 h post treatment), and sampling time (duration of measurement).
Biomass %N, %C, natural abundance 15N and 13C isotopic signatures for common and rare under- and overstory plants in long unburned and burned (1999) boreal forest stands, Caribou-Poker Creek and Delta Junction
This dataset contains leaf, aboveground stem, and fruit carbon and N concentration and natural abundance isotope data for new and old tissue fractions of common and rare plant species in burned and unburned black spruce forest stands. Stands were located in either Caribou-Poker Creek or Delta Junction, in either unburned areas, or in areas burned in 1999 fires. Biomass was collected between 2000 and 2001 in mid-July at peak biomass.
Eight Mile Lake Research Watershed, Carbon in Permafrost Experimental Heating and Drying Research (CiPEHR and DryPEHR): Weekly 13C Keeling Plot Signatures of Ecosystem Respiration from CiPEHR, DryPEHR and vegetation removal plots, and auxilliary data, 2015
The Carbon in Permafrost Experimental Heating Research (CiPEHR) project addresses the following questions: 1) Does ecosystem warming cause a net release of C from the ecosystem to the atmosphere?, 2) Does the decomposition of old C, that comprises the bulk of the soil C pool, influence ecosystem C loss?, and 3) How do winter and summer warming alone, and in combination, affect ecosystem C exchange? We are answering these questions using a combination of field and laboratory experiments to measure ecosystem carbon balance and radiocarbon isotope ratios at a warming experiment located in an upland tundra field site near Healy, Alaska in the foothills of the Alaska Range. How does warming and water table change impact the phenology of dominant plant species? We are answering these questions using a combined warming and drying experiment (DryPEHR), which is situated with the Carbon in Permafrost Experimental Heating Research (CiPEHR) project and located in an upland tundra field site near Healy, Alaska in the foothills of the Alaska Range. Warming treatment here refers to growing season air temperature warming (~1C) using open top chambers (OTC) combined with soil 'warming' using snow fences during the snow covered months. Drying is achieved using an automated pumping system that lowers the water table in the dry plots. Soil warming and OTC air warming on CIPEHR plots began in 2008; OTCs and drying on DryPEHR in 2011, though the soil warming effect had legacy since 2008. Vegetation removal was done outside the CiPEHR footprint, in July 2012. All vegetation was clipped at the surface and plots were trenched to 30cm, regrowth was prevented by frequent weeding and by 2015 very little new growth was observed in the plots. Vegetation removal plots were paired with undisturbed, vegetated plots. The data presented here specifically addresses the questions, 1) What is the seasonal signal of ecosystem respiration 13C during the growing season, from snow melt to snow fall, 2) How
PIE LTER Methane isotopes (13C and D) for methane in sediments and dissolved in surface water from four headwater streams in Massachusetts and New Hampshire.
Gas samples for methane isotopes were collected from four headwater streams. Benthic gas samples were collected by physcially distrubing the sediment and collecting ebullated gas. Dissolved gas samples were extracted from surface water. 13C and deuterium isotopes were analyzed. Relevant publications: A.L. Robison (2021) Carbon emissions from streams and river: Integrating methane emission pathways and storm carbon dioxide emissions into stream and river carbon balances. Doctoral Dissertation. University of New Hampshire. A.L. Robison, W.M. Wollheim, C.R. Perryman, A. Cotter, J.E. Mackay, R.K. Varner, P. Clarizia, and J.G. Ernakovich (in review). Dominance of diffusive methane emissions from lowland headwater streams promotes oxidation and isotopic enrichment. Frontiers in Environmental Science.
Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"
<p>Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 1H-13C solid-state NMR and molecular dynamics simulations" Langmuir 2014, 30 (2), pp 461–469 http://dx.doi.org/10.1021/la404684r</p> <p>System: 80 wt% C12E5, T=298K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
Data for "Combining 13C, 15N, and 2H tracer to measure feeding and metabolic activity in marine, shallow-water sponges – A pilot study"
<p>This dataset includes raw data used in the paper "Combining <sup>13</sup>C, <sup>15</sup>N, and <sup>2</sup>H tracer to measure feeding and metabolic activity in marine, shallow-water sponges – A pilot study" (JEMBE).</p>
Unpublished data: Quantifying CO2 Emissions and Carbon Sequestration from Digestate-Amended Soil Using Natural 13C Abundance as a Tracer
<p>Unprocessed data of CO2 evolution measured daily on cavity ring-down spectroscopy analyser (G2201-i CRDS isotopic CO2/CH4 analyser, Picarro, Santa Clara, CA, USA).</p>
Data for: Making 1H-1H couplings more accessible and accurate with selective 2DJ NMR experiments aided by 13C satellites
<p><sup>1</sup>H-<sup>1</sup>H coupling constants are one of the primary sources of information for NMR structural analysis. Several selective 2DJ experiments have been proposed that allow their individual measurement at pure shift resolution. However, all these experiments fail in the not uncommon case when coupled protons have very close chemical shifts. Firstly, the coupling between protons with overlapping multiplets is inaccessible due to the inability of a frequency-selective pulse to invert just one of them. Secondly, the strong coupling condition affects the accuracy of coupling measurements involving third spins. These shortcomings impose a limit on the effectiveness of state-of-the-art experiments, such as G-SERF or PSYCHEDELIC. Here, we introduce two new and complementary selective 2DJ experiments that we coin SERFBIRD and SATASERF. These experiments overcome the aforementioned issues by utilizing the <sup>13</sup>C satellite signals at natural isotope abundance, which resolve the chemical shift degeneracy. We demonstrate the utility of these experiments on the tetrasaccharide stachyose and the challenging case of norcamphor, for the latter achieving measurement of all <em>J</em><sub>HH</sub> couplings while only few were accessible with PSYCHEDELIC. The new experiments are applicable to any organic compound and will prove valuable for configurational and conformational analyses.</p> <p>This deposit contains Bruker pulse sequences of the SERFBIRD and SATASERF experiments, and the Bruker NMR experimental data. See the readme.pdf file for an overview of the latter.</p>
NMR data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17). 1H, 13C, HSQC
<p>NMP FAIRSpec example collection</p>
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