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41 results for “deuterium”
S42 | HDXNOEX | Hydrogen Deuterium Exchange (HDX) Standard Set
<p>This is the collection associated with list S42 HDXNOEX on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/?q=suspect-list-exchange">https://www.norman-network.com/?q=suspect-list-exchange</a></p> <p>S42</p> <p>HDXNOEX</p> <p><strong>Hydrogen Deuterium Exchange (HDX) Standard Set</strong></p> <p>HDXNOEX <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/120219Update/HDXNOEX_14022019.xlsx">XLSX</a>, <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/120219Update/HDXNOEX_14022019.csv">CSV</a> (14/02/2019)<br> CompTox <a href="https://comptox.epa.gov/dashboard/chemical_lists/hdxnoex">HDXNOEX List</a><br> CompTox <a href="https://comptox.epa.gov/dashboard/chemical_lists/hdxexch">HDXEXCH List</a></p> <p>HDXNOEX <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/120219Update/HDXNOEX_InChIKeys_14022019.txt">InChIKeys</a> (14/02/2019)</p> <p>Environmental standard set used to investigate hydrogen deuterium exchange in small molecule HRMS (Ruttkies et al. accepted). <a href="https://comptox.epa.gov/dashboard/chemical_lists/hdxexch">HDXEXCH</a> list also contains observed deuterated species. </p>
Water oxygen-18 and deuterium data for Green Lakes Valley, 1989 - 1990.
Isotopic signatures of deuterium and delta-O18 ratios were determined for surface flow, groundwater, and precipitation samples collected from within the Green Lakes Valley in 1990. Surface water was collected from lake inlets, lake outlets, and streams. Groundwater was collected in zero-tension and tension samplers at several depths from within several soil series and topographic situations.
Underlying data for "Interpretation of Hydrogen-Deuterium Exchange Data by Maximum-Entropy Reweighting of Simulated Structural Ensembles"
<p>This dataset contains code, data, and figures used in the article "Interpretation of Hydrogen-Deuterium Exchange Data<br> by Maximum-Entropy Reweighting of Simulated Structural Ensembles".</p> <p>Contents:</p> <p>code/* - Underlying code used to analyze molecular dynamics trajectories and calculate predicted HDX-MS data, used to reweight structural ensembles to best fit target HDX-MS data, and used to structurally cluster simulation frames after reweighting</p> <p>data/* - Simulation trajectories of the TeaA protein, along with two sub-trajectories corresponding to only 'closed' or 'open' TeaA frames, and predicted HDX-MS deuterated fractions used as target data in simulation reweighting. Also simulation trajectories of the LeuT protein, in either 'outward-facing' or 'inward-facing' conformational states embedded in a DMPC bilayer, and experimental HDX-MS deuterated fractions used as target data in simulation reweighting</p> <p>figures/* - Underlying data and scripts used to create all figures and movies used in the article.</p> <p>Where appropriate, README files include instructions for regenerating data used in the article, and details of the Python packages used to run Python scripts are available in conda_environment.yml</p>
In-situ neutron diffraction during reversible deuterium loading in Ti-rich and Mn-substituted Ti(Fe,Mn)0.90 alloys - Dataset related to publication
<p>Data type: resume of Rietveld refinement outputs and original refinements</p> <p>Date format: .zip, .opj; .xlsm, .dat, .pcr (Software FullProf package outputs), .inp (Software Topas package outputs)</p> <p>Origin of the data: neutron diffraction patterns from ILL and ISIS, and manual Sievert measurements (PCI curves from home-made Sieverts’ type apparatus from CNRS, ICMPE, Thiais, France)</p> <p>Software needed to plot the data: folders need to be unzipped, Origin, FullProf package and Topas package.</p>
DNA-HDXMS_XchangeDB: A dataset of Hydrogen-Deuterium eXchange native Mass Spectrometry experiments on DNA oligonucleotides
<p>The DNA-HDXMS_XchangeDB dataset contains HDX/native MS exchange kinetics and metadata of a reference set of DNA oligonucleotides.</p> <p> </p>
Rain, well and river water oxygen and deuterium isotope analyses/values for Bonanza Creek Experimental Forest and LTTG sites ( 2002 - Present)
Isotope values for oxygen and hydrogen in waters provide information as to the source of the water, the climate at the time of collection, and the geographical location of the water source. Climate variations may be indicated in changes in the relationship between deuterium and 18O over an extended period. The sources and proportions of sources of ground water can be determined by isotope analysis. Rain, well and river waters were analyzed for ?18O and ?D values from LTER and LTTG sites in 2002, and LTER1, LTER2, UP2, and FP3 sites from 2003 on. Deuterium values were not replicable until the latter part of the 2005 field season and so were not reported until August, 2005.
Water isotopic composition (Oxygen-18 and Deuterium) from the EPICA Dome C ice core at 11 cm resolution
<p>This manuscript presents a compilation of high resolution (11 cm) water isotopic records including published and new measurements over the last 800 000 years on the EPICA Dome C ice core, Antarctica. Using this new water isotopes (δ18O and δD) combined dataset, we study the variability and possible influence of diffusion at multi-decadal to multi-centennial scale. We observe a stronger variability on the onset of the interglacial interval corresponding to a warm period.</p>
Fig. 3 in The Deuterium Abundance in the Local Interstellar Medium
Fig. 3. Comparison of molariforms of two taxa of Megalonyx from South Carolina. A. SCSM 2006.1.101, Megalonyx leptostomus from the late Blancan Walrus Ditch Local Fauna near Summerville, in Dorchester County, South Carolina, in occlusal (A1) and lateral (A2) views. B. SCSM 2004.1.26.2, Megalonyx wheatleyi/jeffersonii from the late Irvingtonian Camelot Local Fauna near Harleyville, in Dorchester County, South Carolina, in occlusal (B1) and lateral (B2) views. While M. jeffersonii is larger than both M. leptostomus and M. wheatleyi, hypsodonty indices were statistically the same in all species.
Fig. 1 in The Deuterium Abundance in the Local Interstellar Medium
Fig. 1. Measurements used to calculate hypsodonty index (HI) in Megalonyx. HI is calculated as the depth of the mandible (DM), usually measured below the third molariform tooth (see B), divided by the length of the tooth row (LTR; see A), and multiplied by 100. Specimen displayed is AMNH F:AM 99187—mandible of Megalonyx wheatleyi from the middle Irvingtonian McLeod Mine, Florida, in occlusal (A) and lateral (B) views.
Fig. 2 in The Deuterium Abundance in the Local Interstellar Medium
Fig. 2. Drawing of Megalonyx skull, based on Leidy (1855: pls. 1 and 3) showing upper dentition in left lateral (A) and occlusal (B) views. Positions of caniniforms and molariforms are indicated. Not to scale.
Water tagging experiments for the interpretation of deuterium excess in Antarctica
<p>These simulation results are from the water-tagging experiments in the manuscript "Sublimation origin of negative deuterium excess observed in snow and ice samples from McMurdo Dry Valleys and Allan Hills Blue Ice Areas, East Antarctica" submitted to the Journal of Geophysical Research-Atmospheres. The file tag_antactic_names.pdf shows the abbreviations of all tagging region names. </p>
TGLF-NN training dataset for deuterium-carbon species
<p>Dataset used to train TGLF-NN model for deuterium and carbon species</p>
Real time, in-situ deuteriding of uranium encapsulated in grout; effects of temperature on the uranium-deuterium reaction
<p>To accurately predict the initiation and evolution of uranium hydride potentially present in nuclear waste containers, studies of simulated conditions are required. Here, for the first time, the uranium-deuterium reaction was examined in-situ, in real time, whilst within grouted media. A deuterium gas control rig and stainless steel-quartz glass reaction cell were configured on a synchrotron beam line to collect X-ray diffraction and X-ray tomography data. It was found that deuteride formation, and thus hydride formation, was limited by the uranium and grout thermal conductivities and deuteride initiation only commenced above a threshold temperature. Strong adherence between uranium oxide and grout was also observed.</p>
Supplementary Movies: "Probing the dynamics of Streptococcus pyogenes Cas9 endonuclease bound to sgRNA complex using hydrogen-deuterium exchange mass spectrometry"
<p>Movies related to the article "Probing the dynamics of Streptococcus pyogenes Cas9 endonuclease bound to sgRNA complex using hydrogen-deuterium exchange mass spectrometry" in the International Journal of Molecular Science. "MD_Movie_Cas9_sgRNA_DNA" is the video of SpCas9-sgRNA-DNA complex behavior during 50 ns molecular dynamics simulation. In this movie, SpCas9 protein domains are shown in the following colors: REC lobe (green), CTD (blue), RuvC (pink), L-I-II (yellow), Arg (violet), and HNH (orange). RNA presented in cyan, and DNA -in dark blue.</p> <p>Movies "SpCas9_HeatMap" and "SpCas9-sgRNA_HeatMap" show the hydrogen exchange levels superimposed onto the protein structure obtained from MD trajectories. Relative uptake level presented at the time points of 10 s, 30 s, 1 min, 2 min, 5 min, 10 min, 30 min, 60 min, 120 min, 240 min, 360 min, and 480 min. The exchange scale is shown in a rainbow color scheme, where blue corresponds to the minimum uptake, while red corresponds to the highest observed uptake.</p>
Data from: Deuterium metabolic imaging phenotypes mouse glioblastoma heterogeneity through glucose turnover kinetics
Open the record for dataset details and reuse information.
H2 and H2 deuterium content data collected around the tropopause by the CARIBIC aircraft
<p>This zip file contains the final corrected data that were used for the paper: Batenburg, A. M., Schuck, T. J., Baker, A. K., Zahn, A., Brenninkmeijer, C. A. M., and Röckmann, T.: The stable isotopic composition of molecular hydrogen in the tropopause region probed by the CARIBIC aircraft, Atmos. Chem. Phys., 12, 4633-4646, doi:10.5194/acp-12-4633-2012, 2012<br> Please cite the original ACP article when using these data.<br> The paper also contains more information about how these data were collected and calibrated.</p> <p>H2 and deltaD(H2) are calibrated using one, two, or three laboratory reference air cylinders, depending on measurement period.<br> The H2 mixing ratio of the reference cylinders was determined by UHEI-IUP or MPI-BGC.<br> The deltaD(H2) of the reference cylinders is linked to the VMOW scale by measurements of air mixtures containing H2 standards of known isotopic composition.<br> H2 scale: MPI2009, Jordan and Steinberg, AMT, 2011<br> deltaD(H2) units: permil deviation from VSMOW, Gonfiantini et al., IAEA-TECDOC-825, IAEA<br> An empirical correction was applied to the H2 mixing ratios based on data collected within the EUROHYDROS project.<br> H2 mixing ratio errors can be calculated as 2.5% of the mixing ratio divided by the square root of the number of GC-IRMS repeat measurements.<br> deltaD(H2) errors can be calculated as 4.5 permil divided by the square root of the number of GC-IRMS repeat measurements.<br> More information on the collection of these samples and their measurement can be found in Batenburg et al., ACP, 2012, doi:10.5194/acp-12-4633-2012.<br> More detailed information on the GC-IRMS measurement procedure can be found in Batenburg et al., ACP, 2011, doi:10.5194/acp-11-6985-2011.<br> The 0 or 1 pollution/outlier flags were assigned by an iterative procedure that is described Batenburg et al., 2012.</p> <p>The zip file contains the data in .xls and .csv format, as well as in the NASA AMES text format that is used within the CARIBIC project.<br> We thank Armin Rauthe-Schöch for generating the AMES file.</p> <p>The corresponding author of the paper can be reached through annekebatenburg you-know-what-symbol gmail.com for questions about the hydrogen measurements.<br> For the results of other measurements that were done on these samples (like the GHG measurements), it's better to contact someone involved with the CARIBIC/IAGOS database. Armin Rauthe-Schöch (armin.rauthe-schoech you-know-what-symbol mpic.de) can probably help you out.</p>
Observations of molecular hydrogen (H2) mixing ratio and stable isotopic composition (deuterium content) at the Cabauw tall tower in the Netherlands
<p>This zip file contains the final corrected data that were used for the journal article "Observations of molecular hydrogen mixing ratio and stable isotopic composition at the Cabauw tall tower in the Netherlands" by Batenburg et al., Atmospheric Environment, 2016, doi:10.1016/j.atmosenv.2016.09.058<br> <br> Please cite the original AtmosEnv article when using these data.<br> The paper also contains more information about how these data were collected and calibrated, and on how the quality control flags were assigned.</p> <p>All samples were collected at the Cabauw tower, at the CESAR site (51.971° N, 4.927° E, http://www.cesar-observatory.nl/).<br> H2 and deltaD(H2) are calibrated using one to four laboratory reference air cylinders, depending on measurement period.<br> The H2 mixing ratio of the reference cylinders was determined by UHEI-IUP, MPI-BGC, or the IMAU isotope laboratory.<br> The deltaD(H2) of the reference cylinders is, sometimes indirectly, linked to the VSMOW scale by measurements of air mixtures containing H2 standards of known isotopic composition.<br> H2 scale: MPI2009, Jordan and Steinberg, AMT, 2011, doi:10.5194/amt-4-509-2011<br> deltaD(H2) units: permil deviation from VSMOW, Gonfiantini et al., IAEA-TECDOC-825, IAEA</p> <p>Times are UTC. </p> <p><br> The corresponding author can be reached through annekebatenburg@gmail.com for questions.</p>
Data accompanying empirical Bayes functional models for hydrogen deuterium exchange mass spectrometry
<p>Data accompanying empirical Bayes functional models for hydrogen deuterium exchange mass spectrometry</p>
Deuterium desorption flux from tungsten-deuterium codeposited layers
<p>Measurement and modeling of deuterium desorption flux from tungsten-deuterium codeposited samples formed under various experimental conditions. The samples are labeled "WD_#" where the sample number # is 1-3, 6-10, or 12-14, same as in the manuscript "The effect of D2 partial pressure, deposition rate, and sample temperature on D retention in W codeposited layers" by Patino et al. to be published in the journal Nuclear Materials and Energy. The experimental conditions for each sample are summarized in Table 1 of the same manuscript.</p> <p>WDcodep_spectra_experimental.mat: Experimental data measured via thermal desorption spectrometry (TDS), as described in detail in the above manuscript. Columns include time (in seconds) during TDS, desorption temperature (in Kelvin), and deuterium desorption flux (in m^-2s^-1). The # in the dataset label ("WD_#") indicates the sample number.</p> <p>WDcodep_spectra_festim.mat: Modeling data performed with FESTIM of deuterium release during TDS, as described in detail in the above manuscript. Columns include desorption temperature (in Kelvin) and deuterium desorption flux (in m^-2s^-1). The # in the dataset label ("WD_#_festim") indicates the sample number.</p>
Monitoring of Brain Metabolites Using Proton and Deuterium MR Techniques
ClinicalTrials.gov study NCT06705010. IPD Sharing: NO. Countries: 1. Publications: 4.
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