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823 results for “Hydrogen”
Fluxes of Molecular Hydrogen (H2) at Harvard Forest EMS Tower 2010-2012
Molecular hydrogen (H2) is an atmospheric trace gas with a large microbe-mediated soil sink, yet cycling of this compound throughout ecosystems is poorly understood. Measurements of the sources and sinks of H2 in various ecosystems are sparse, resulting in large uncertainties in the global H2 budget. Constraining the H2 cycle is critical to understanding its role in atmospheric chemistry and climate. We measured H2 fluxes at high frequency in a temperate mixed deciduous forest for 15 months using a tower-based flux-gradient approach to determine both the soil-atmosphere and the net ecosystem flux of H2. The data presented here along with other data available at Harvard Forest can be used for efforts to model the H2 soil sink.
Dataset of "Cobalt and nickel doped WSe2 as efficient electrocatalysts for water splitting and as cathodes in hydrogen evolution reaction PEM water electrolysis"
<p>Efficient electrocatalysts are crucial for water splitting and fuel cells. Using cheap alternatives that can improve reaction kinetics is essntial for advancing fuel cell technology. Although, tungsten diselinide (WSe2) is promising for electrocatalysis is not fully explored, especially in oxygen evolution and in applications such as polymer electrolyte membrane water electrolyzer.<br>In this work, we used a simple approach to dope WSe2 with cobalt and/or nickel atoms. The doped material was subsequently tested for hydrogen evolution reaction and oxygen evolution reaction. Accordingly, the two electrocatalysts are highly active and stable, affording low overpotentials comparable to those of noble metals. The effective introduction of heteroatoms causes the retention of coordination vacancies, furnishing active catalytic sites that enhanced electrocatalytic performance both in activity and charge transfer. Moreover, both doped materials show excellent performance and stability as cathode electrocatalysts in the polymer electrolyte membrane water electrolyzer with great promise for real-world applications.</p>
Dataset of "Towards 2D van der Waals Entropy Mixture MX2 (M=Mo,W; X=S,Se,Te) for Hydrogen Evolution Electrocatalysis"
<p>High-entropy alloys have emerged as a class of materials, offering unique properties due to their irregular and randomized arrangement of multiple elements in an ordered lattice. This concept has been extended to two-dimensional (2D) van der Waals materials, including transition metal dichalcogenides (TMD), which exhibit promising applications in electrocatalysis. In this work, we have explored the synthesis of entropy mixture crystals (TMDmix) involved the chemical vapor transport of five individual elements, Mo and W as metal elements, S, Se, and Te as chalcogenide elements, resulting in a crystalline structure with a controlled composition Mo0.56W0.44(S0.33Se0.35Te0.32)2, with an estimated ΔSmix of 0.96R. When observed along the [001] zone axis, STEM HAADF images indicate the presence of the different crystal phases of the 2D TMDs (1T, 2H, and 3R). Our findings demonstrate the potential of the entropy TMDmix materials as catalysts for the hydrogen evolution reaction, as an alternative to noble metal-based catalysts. To maximize the potential of TMDmix, we chose the chemical exfoliation with the resulting material being subdivided into size groups, big and small according to their lateral size. In acidic medium, the lowest overpotential of 127 mV and Tafel slope of 79 mV/dec were obtained for the exfoliated sample with a small lateral size (exf-TMDsmall).</p>
Dataset of "MoO3-xNiMoO4 nanorods synthetized using NiO nanoparticles for hydrogen evolution in anion exchange membrane water electrolysis"
<p>Novel method of Mo-Ni catalyst for hydrogen evolution reaction in anion exchange membrane water electrolysis was used. Complete physico-chemical and electrochemical characterization was done. Prepared material showed enhanced performance when compared to the similar Ni based materials. Physico-chemical characterization showed, that final material is formed by NiMoO4 nanorods coverd on the surface by the layer of the MoO3-x.</p>
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>
Dataset of "Hydrogen Evolution Reaction Activity in Mo₂TiC₂Tₓ MXene Derived from Mo₂TiAlC₂ MAX Phase: Insights from Compositional Transformations"
<p>MAX phases represent a crucial building block for the synthesis of MXenes, which constitute an intriguing class of materials with significant application potential. This study investigates the catalytic properties of Mo₂TiAlC₂ MAX phase and the corresponding Mo₂TiC₂Tₓ MXene for hydrogen evolution reaction (HER). Characterization by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS) revealed that despite the presence of secondary phases, the HER catalytic activity is primarily influenced by the MAX phase and its derived MXene. Interestingly, the catalytic activity of the MXene improves over time, attributed to the formation of MoO₂ as identified by XPS. This work enhances the understanding of MXene-based materials for electrochemical applications, highlighting crucial structural and chemical transformations that optimize their performance in sustainable energy technologies.3D structure of lanthanum strontium manganite and yttria-stabilized zirconia composites is predicted based on conductivity measurements using Monte Carlo 3D equivalent circuit network approach. Validation experimental impedance spectra; scanning electron micrographs; cross sections of model simulation or prediction (MSP).</p>
TCOM-HF : Daily global gap-free stratospheric hydrogen fluoride (HF) profile data set based on TOMCAT CTM and Occultation Measurements
<p><strong>Methodology: TOMCAT simulation is performed at T64L32 resolution for the 2000-2024 time period. Collocated hydrogen fluoride (HF) profiles are divided in five latitude bins: SH polar (90S-50S), SH mid-lat (70S-20S), tropics (40S-40N), NH mid-lat (20N-70N) and NH polar (50N-90N). Initially, model-measurement differences are calculated for each zonal bins (51 height levels, 10km to 60km). Note that if enough ACE measurements are not avaliable for a particular level then data is purely based on TOMCAT simulated output field. Separate XGBoost regression models are trained for the differences between TOMCAT and measurements at each level for a given latitude bin. XGBoost model is then used to estimate error corrections for all the TOMCAT grids. TOMCAT output sampled at 1.30 pm local time at the equator. Estimated corrections for a given model grid that are added to the original TOMCAT simulated day and night time hydrogen fluoride profiles. Height resolved data are then interpolated on 28-pressure levels (300 - 0.1hPa). For overlapping latitude bins, we use averages and then calculate daily zonal mean values. For more details see attached presentation. Previous version use both HALOE and ACE data. Here only ACE data is used.</strong></p> <p><strong>Dataset also includes two files containing daily mean zonal mean hydrogen fluoride profiles on height (10-50 km) and pressure (300-0.1 hPa) levels:</strong></p> <p><strong>zmhf_TCOM_hlev_T2Dz_2000_2024.nc – height level data (10 to 50 km)</strong></p> <p><strong>zmhf_TCOM_plev_T2Dz_2000_2024.nc – pressure level data (300 to 0.1 hPa)</strong></p> <p><strong>Daily 3D profiles on height and pressure levels would be made available on request.</strong></p>
heat of hydrogenation for diverse organic compounds -- experimental and calculated data for 166 unique reactions
<h3>General remarks</h3> <p>The experimental data was drawn from reactions involving H2 that are available at <a href="https://webbook.nist.gov/cgi/cbook.cgi?Name=H2&Units=SI&cTR=on" target="_blank" rel="noopener">NIST</a> (accessed on 15/03/2024). Only reactions of type<strong><em> M + H2 => MH2</em></strong>, where M is a neutral, closed-shell organic molecule that accepts one equivalent of H2, were included in the collection. M corresponds to the oxidized form of the molecule ( => suffix '_ox'), MH2 to the reduced form (=> suffix '_red'). For reasons of clarity, the references to original publications were abbreviated in the main table (look up in separate table).</p> <p>For the molecules involved, Smiles were manually assigned. From those, 3D structures were generated and evaluated in order to match the thermodynamic properties as accurately as possible (for details on the procedure refer to the related work, see below).</p> <p>In addition to the experimental uncertainty, a significant scatter is seen for replicate measurements.</p> <p><strong>Please note</strong>: To compute the heat of hydrogenation from the calculated data for M/MH2 the contribution of H2 needs to be considered, take e.g. -1.164816 hartree (Energy at 298.15K, calculated at CCSD(T)=FULL/aug-cc-pVDZ) from <a href="https://cccbdb.nist.gov/energy3x.asp?method=63&basis=17&charge=0" target="_blank" rel="noopener">CCCBDB</a> (accessed on 15/03/2024).</p> <h3> </h3> <h3>Description of files</h3> <p>The file <strong>01_heat_of_hydrogenation_XP+QM.csv</strong> contains experimentally measured and calculated data.</p> <ul> <li>columns are separated by "|"</li> <li>column names and explanations: <ul> <li><strong>NIST_idx</strong> -- index of original reaction, mostly unique. In a few cases, data of the reverse reaction were subsumed under a different index</li> <li><strong>env</strong> -- if available, information about the environment a reported reaction took place in, e.g. gas phase, hexane, etc...</li> <li><strong>method</strong> -- if available, reference about the experimental technique, e.g. 'Eqk' = Heat of equilibrium, 'Cm' = Calorimetry, 'Chyd' = Calorimetry of hydrogenation</li> <li><strong>Temperature K</strong> -- if available, reported values </li> <li><strong>reference</strong> -- Abbreviation of reference to original publication</li> <li><strong>experimental heat of reaction kJ/mol</strong> -- measured value as reported by experimentalists</li> <li><strong>experimental uncertainty </strong>-- if available, uncertainty of measurement reported by experimentalists</li> <li><strong>comments</strong> -- notes relating to identification of compounds</li> <li><strong>SMILES_ox</strong> -- isomeric canonical SMILES for oxidized form M</li> <li><strong>InChI_ox</strong> -- InChI for oxidized form M </li> <li><strong>SMILES_red</strong> -- isomeric canonical SMILES for reduced form M</li> <li><strong>InChI_red </strong>-- InChI for reduced form M</li> <li><strong>reaction_index </strong>-- consequtively numbered for identical pairs (SMILES_ox, SMILES_red)<strong><br></strong></li> <li>the calculated properties are given for the oxidized and reduced form of the molecule (in hartree) <ul> <li><strong>E(B3LYP/6-31G(2df,p))</strong></li> <li><strong>E_thermal</strong></li> <li><strong>E(G4(MP2))@0K</strong></li> <li><strong>E(G4(MP2))@298K</strong></li> <li><strong>H(G4(MP2))</strong></li> <li><strong>heat_of_formation@0K</strong></li> <li><strong>heat_of_formation@298K</strong></li> </ul> </li> </ul> </li> </ul> <p><strong>02_molecules.sdf:</strong> provides for each molecule a low-energy geometry along with some descriptors and calculated energetic properties:</p> <blockquote> <ul> <li>coordinate block + bond information</li> <li>properties <ul> <li><strong>SMILES</strong> -- isomeric canonical smiles linking compound to reactions defined in 01_heat_of_hydrogenation_XP+QM.csv</li> <li><strong>radical_electrons</strong> -- number of unpaired electrons as determined by RDKit</li> <li><strong>empirical_formula</strong> -- elemental composition of molecule</li> <li><strong>molecular_weight</strong> -- as determined by RDKit in g/mol</li> <li><strong>TPSA </strong>-- topological polar surface area (<em>TPSA</em>) as determined by RDKit</li> <li><strong>logP </strong>-- octanol/water partition coefficient as predicted by RDKit</li> <li><strong>nof_heavy_atoms --</strong> number of non-hydrogen atoms in molecule</li> <li><strong>degree_of_unsaturation</strong> -- sum of multiplebonds and/or rings present in the compound</li> <li><strong>rings</strong> -- number of rings in the compound as determined by RDKit</li> <li><strong>multiplicity</strong> -- spin multiplicity for use as input for QM calculations</li> <li><strong>nof_multiple_bonds</strong> -- number of multiple bonds as determined by RDKit</li> <li><strong>Std_InChI</strong> -- standard InChi</li> <li><strong>FixedH_InChI</strong> -- variant of InChI to differentiate tautomers</li> <li><strong>tag </strong>-- dataset label</li> <li><strong>total_atoms </strong>-- total number of atoms (including H)</li> <li><strong>net_charge</strong> -- total charge of molecule in units of elementary charge</li> <li> <p>energetic properties (in hartree) </p> <ul> <li> <p><code>E(B3LYP/6-31G(2df,p))</code></p> </li> <li> <p><code>E</code><code>(HF/maug-cc-p(T+d)Z) </code></p> </li> <li> <p><code>E(HF/CBS)</code></p> </li> <li> <p><code>E(HF/maug-cc-p(Q+d)Z) </code></p> </li> <li> <p><code>E(MP2/6-31G(d))</code></p> </li> <li> <p><code>E(CCSD(T)/6-31G(d))</code></p> </li> <li> <p><code>E(HF/G3MP2LARGEXP) </code></p> </li> <li> <p><code>E(MP2/G3MP2LARGEXP)</code></p> </li> <li> <p><code>DE(MP2) hartreeDE(HF)</code></p> </li> <li> <p><code>ZPE(B3LYP) hartree</code></p> </li> <li> <p><code>ZPE_scale_factor hartree</code></p> </li> <li> <p><code>E(HLC) hartree</code></p> </li> <li> <p><code>E_thermal hartree</code></p> </li> <li> <p><code>H_thermal hartree</code></p> </li> <li> <p><code>E(G4(MP2))@0K hartree</code></p> </li> <li> <p><code>E(G4(MP2))@298K hartree</code></p> </li> <li> <p><code>H(G4(MP2)) hartree</code></p> </li> <li> <p><code>heat_of_formation@0K kcal/mol</code></p> </li> <li> <p><code>heat_of_formation@298K kcal/mol</code></p> </li> </ul> </li> </ul> </li> </ul> </blockquote> <p><strong>03_references.csv</strong> (separated by "|") lists abbreviations and corresponding full reference to original publication of individual data points.</p>
A multi-method study of femtosecond laser modification and ablation of amorphous hydrogenated carbon coatings
<p>We report here the optical constants of ECR (MW) and RF generated a-C:H layers before and after laser irradiation. The work is described in the following publication:</p> <p><a title="A multi-method study of femtosecond laser modification and ablation of amorphous hydrogenated carbon coatings" href="https://doi.org/10.1007/s00339-024-07980-z" target="_blank" rel="noopener">https://doi.org/10.1007/s00339-024-07980-z</a></p> <p>The data uploaded are the optical constants (n and k) of the a-C:H layers before (base) and after (ROIx) laser irradiation. Please see the article for the nomenclature of the data and for the methods applied ot produce the layers, laser shots, and OK data.</p>
Dataset of "Mn-doped WSe2 as an efficient electrocatalyst for hydrogen production and as anode material for lithium-ion batteries"
<p>The ongoing energy crisis has made it imperative to develop low-cost, easily fabricated, yet efficient materials. It is highly desirable for these nanomaterials to function effectively in multiple applications. Among transition metal dichalcogenides, tungsten diselenide (WSe2) shows great promise but remains understudied. In this work, we doped WSe2 with Mn using a simple hydrothermal method. The resulting material exhibited excellent electrocatalytic activity for the hydrogen evolution reaction, achieving a low overpotential of –0.28 V vs RHE at -10 mA/cm2, enhanced conductivity, and high stability and durability. Moreover, as an anode material in in lithium-ion batteries, the Mn-doped WSe2 outperformed pristine WSe2, reaching discharge and charge capacities of 1223 and 922 mAh g−1, respectively. Additionally, the Mn-doped material maintained a significantly higher discharge capacity of 201 mAh g−1 compared to intact WSe2, which had 68 mAh g−1 after 150 cycles. This work offers novel insights into designing efficient bifunctional nanomaterials using transition metal dichalcogenides.</p>
Mechanically Resistant Poly(N-vinylcaprolactam) Microgels with Sacrificial Supramolecular Catechin Hydrogen Bonds
<p>Original data corresponding to the plots of Figures 2, 4, 5 of the manuscript and S1-S16 of the Supporting Information in *.csv format and raw data for NMR measurements.</p>
Dataset of "Black Titanium Oxide/Activated TaS2 Flakes Photoelectrode for Plasmon Assisted Hydrogen Evolution at Neutral pH at High Current Density"
<p>Nanotubular structure of black titania with sputtered gold and incorporation of 3R-TaS2 self-activated flakes for high current density and neutral pH usage for hydrogen evolution reaction. Dataset consists of electrochemical data (LSV, EIS, CA), x-ray difractograms, Raman spectra, SEM images with EDX mapping, UV-vis spectra, DEMS records, ICP-MS records, XPS spectra and compositional analysis and BET records.</p>
Hydrogen sulfide release via the ACE inhibitor Zofenopril prevents intimal hyperplasia in human vein segments and in a mouse model of carotid artery stenosis
<p>The current strategies to reduce intimal hyperplasia (IH) principally rely on local drug delivery, in endovascular approach. The oral angiotensin converting enzyme inhibitor (ACEi) Zofenopril has additional effects compared to other non-sulfyhydrated ACEi to prevent intimal hyperplasia and restenosis. Given the number of patients treated with ACEi worldwide, these findings call for further prospective clinical trials to test the benefits of sulfhydrated ACEi over classic ACEi for the prevention of restenosis in hypertensive patients.</p> <p>Abstract</p> <p>Objectives</p> <p>Hypertension is a major risk factor for intimal hyperplasia (IH) and restenosis following vascular and endovascular interventions. Pre-clinical studies suggest that hydrogen sulfide (H2S), an endogenous gasotransmitter, limits restenosis. While there is no clinically available pure H2S releasing compound, the sulfhydryl-containing angiotensin-converting enzyme inhibitor Zofenopril is a source of H2S. Here, we hypothesized that Zofenopril, due to H2S release, would be superior to other non-sulfhydryl containing angiotensin converting enzyme inhibitor (ACEi), in reducing intimal hyperplasia in the context of hypertension.</p> <p>Materials</p> <p>Spontaneously hypertensive male Cx40 deleted mice (Cx40-/-) or WT littermates were randomly treated with Enalapril 20 mg (Mepha Pharma) or Zofenopril 30 mg (Mylan SA). Discarded human vein segments and primary human smooth muscle cells (SMC) were treated with the active compound Enalaprilat or Zofenoprilat.</p> <p>Methods</p> <p>IH was evaluated in mice 28 days after focal carotid artery stenosis surgery and in human vein segments cultured for 7 days ex vivo. Human primary smooth muscle cell (SMC) proliferation and migration were studied in vitro.</p> <p>Results</p> <p>Compared to control animals (intima/media thickness=2.3±0.33), Enalapril reduced IH in Cx40-/- hypertensive mice by 30% (1.7±0.35; p=0.037), while Zofenopril abrogated IH (0.4±0.16; p<.0015 vs. Ctrl and p>0.99 vs. sham-operated Cx40-/-mice). In WT normotensive mice, enalapril had no effect (0.9665±0.2 in control vs 1.140±0.27; p>.99), while Zofenopril also abrogated IH (0.1623±0.07, p<.008 vs. Ctrl and p>0.99 vs. sham-operated WT mice). Zofenoprilat, but not Enalaprilat, also prevented intimal hyperplasia in human veins segments ex vivo. The effect of Zofenopril on carotid and SMC correlated with reduced SMC proliferation and migration. Zofenoprilat inhibited the MAPK and mTOR pathways in SMC and human vein segments.</p> <p>Conclusion</p> <p>Zofenopril provides extra beneficial effects compared to non-sulfhydryl ACEi to reduce SMC proliferation and restenosis, even in normotensive animals. These findings may hold broad clinical implications for patients suffering from vascular occlusive diseases and hypertension.</p>
Imaging the footprint of nanoscale electrochemical reactions for assessing synergistic hydrogen evolution
<p>Dataset complementary to supporting information, such as optical movies, COMSOL model, and Python codes to analyze the experimental and simulated data according to the manuscript submitted for publication.<br> The movies correspond to cyclic voltammetry operando monitoring by optical microscopy of the reduction of water + KCl in the presence of NiCl2 at an ITO electrode or NiCl2 or MgCl2 at ITO electrode coated with Pt nanoparticles.</p> <p>The python function was used to extract the halo size around each nanoparticle from optical images, the python routines were used to postprocess the COMSOL simulation and evalaute the simulated halo size.</p>
Dataset for Precursor Nuclearity and Ligand Effects in Atomically-Dispersed Heterogeneous Iron Catalysts for Alkyne Semi-Hydrogenation
<p>This dataset complements the publication entitled "Precursor Nuclearity and Ligand Effects in Atomically-Dispersed Heterogeneous Iron Catalysts for Alkyne Semi-Hydrogenation" by Dario Faust Akl, Andrea Ruiz-Ferrando, Dr. Edvin Fako, Dr. Roland Hauert, Dr. Olga Safonova, Dr. Sharon Mitchell, Prof. Núria López, Prof. Javier Pérez-Ramírez. Please refer to the Readme.txt file for information about the file structure and content.<br> </p>
The role of hydrogen in heavy transport to operate within planetary boundaries
<p>Dataset associated with the publication "The role of hydrogen in heavy transport to operate within planetary boundaries" by Antonio Valente, Victor Tulus, Galán-Martín, Mark A. J. Huijbregts, and Gonzalo Guillén-Gosálbez, available at <a href="https://doi.org/10.1039/D1SE00790D">https://doi.org/10.1039/D1SE00790D</a>. The dataset includes the numeric data associated with the plots described in the main manuscript, as well as the tables presented in the main manuscript converted in a machine-readable format.</p> <p>The structure of the dataset is here elucidated sheet by sheet:</p> <ul> <li><strong>Tables</strong>: tables 3 and 4, as reported in the main manuscript, with evolution considered for the main technical parameters and the values of the parameters used in the baseline, best and worst scenario.</li> <li><strong>Plots</strong>: numerical values associated with figures 2, 3, and 4, as reported in the main manuscript.</li> </ul>
Understanding the formation mechanisms of silicon particles from the thermal disproportionation of hydrogen silsesquioxane
<p><strong>Data set</strong> from Understanding the formation mechanisms of silicon particles from the thermal disproportionation of hydrogen silsesquioxane.<br> <br> - Publication : Cibaka-Ndaya C., O'Connor K., Opeyemi Idowu E., Parker M. A., Lebraud E., Lacomme S., Montero D., Sanz Camacho P., Veinot J. G.-C., Roiban I.-L., Drisko G. L.. Understanding the formation mechanisms of silicon particles from the thermal disproportionation of hydrogen silsesquioxane. <em>Chemistry of Materials</em>, In press, <a href="https://dx.doi.org/10.1021/acs.chemmater.3c01448">⟨10.1021/acs.chemmater.3c01448⟩</a>. <a href="https://hal.science/hal-04211253">⟨hal-04211253⟩</a><br> <br> <strong>Dataset production context : </strong> Crystalline silicon particles sustaining Mie resonances are readily obtained from the thermal processing of hydrogen silsesquioxane (HSQ). Here, the mechanisms involved in silicon particle formation and growth from HSQ are investigated through real time in situ analysis in an environmental transmission electron microscope and X-ray diffractometer. The nucleation of Si nanodomains are observed starting around 1000 °C. For the first time, a highly mobile intermediate phase is experimentally observed, thus demonstrating a previously unknown growth mechanism. At least two growth processes occur simultaneously: the coalescence of small particles into larger particles and a growth mode by particle displacement through the matrix toward the HSQ grain surface. Post-synthetic characterization by scanning electron microscopy further evidences the latter growth mechanism. The gaseous environment employed during synthesis impacts particle formation and growth under both in situ and ex situ conditions, impacting particle yield and structural homogeneity. Understanding the formation mechanisms of particles provides promising pathways for reducing the energy cost of this synthetic route.<br> <br> <br> <strong>For more information see the article.</strong></p>
STAR2D simulation and Hydrogen photodissociation cross sections dataset
<p>This dataset consists of two tables: extreme ultraviolet (XUV) and vacuum ultraviolet (VUV) emission spectra from a laser produced, 1 micron wavelength plasma. The emission spectra was calculated from STAR-2D simulation results. </p><p>The data consists of wavelength-dependent spectra at varying drive laser intensities from 1E11 to 1E9 W/cm2. More information on the STAR-2D code can be cited here: A. Sunahara, A. Sasaki, and K. Nishihara, J. Phys.: Conf. Ser. 112, 042048 (2008). </p><p>The second dataset consists of hydrogen photodissociation and photoionization cross section data from Heays et al: A. N. Heays, A. D. Bosman, and E. F. van Dishoeck, Astronomy &Astrophysics 602, A105 (2017).</p>
Hydrogen ion concentrations (pH) in discrete water column samples collected from lakes in the McMurdo Dry Valleys, Antarctica (1993-2024, ongoing)
As part of the McMurdo Long Term Ecological Research (LTER) project in the Dry Valleys of Antarctica, hydrogen ion concentrations were monitored in various lakes of the region. An Orion portable pH meter was used to record hydrogen ion concentrations at depth specific intervals in perennial ice-covered lakes.
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>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.