Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
287
datasets available to search
ShareScore release 0.9.0
Dataset results
287 results for “PAHs”
NETTAG+ Data set on adsorption of inorganic (Cu and Pb) and organic (PAHs) pollutants in fishing nets
<p>This data set includes the raw data associated with the article in <em>Marine Pollution Bulletin</em><strong> "</strong>Potential of fishing nets for adsorption of inorganic (Cu and Pb) and organic (PAHs) pollutants"</p>
Infrared spectroscopy of the benzylium-like (and tropylium-like) isomers formed in the --H dissociative ionization of methylated PAHs
<p>Dataset for article "Infrared spectroscopy of the benzylium-like (and tropylium-like) isomers formed in the --H dissociative ionization of methylated PAHs". DOI: 10.1016/j.jms.2022.111620</p> <p> - folder Experimental contains<br> - folder Fig2_IRPDspectra containing<br> - with IRPD spectra data of all three species (Fig. 2)<br> - folder Fig3_Depletion containing<br> - the saturation depletion measurements on six bands (Fig. 3)<br> - folder FigS1_MassSpectra containing<br> - the mass spectra of all three species in Trap ON/OFF modes (Fig. S1)</p> <p> - folder Theoretical contains<br> - .log files for each considered species<br> - e.g.: folder C11H9+ contains folders for the<br> - NapC7+<br> - NapC7+Ne<br> - NapCH2+<br> - NapCH2+Ne<br> These contain all .log files needed to reproduce Figs. 4, 5, 6 of the main<br> mansucript and Figs. S3, S4, S5, S6, S7, S8, S9 of the supplementary material<br> - folder Fig7_EnergyProfile containing<br> - all minima and transition states for the computed energy profile (doublet<br> spin state surface) for the H loss from NapCH3+ leading to NapCH2+ and NapC7+<br> (Fig. 7)</p> <p> </p>
Dataset for article Photodissociation of aliphatic PAH derivatives under relevant astrophysical conditions
<p>The experimental data are provided in subfolders by species, which contain each three files:<br> (i) the normalized intensities (Eq. 1 in the article) for the mass peaks corresponding to the parent cation and its fragments as a function of the VUV irradiation time,<br> (ii) the experimental error bars associated with these intensities,<br> (iii) the curves corresponding to the fitting functions that were derived with the procedure described in Sect. 2.4.</p> <p>Each folder is named by the parents species:<br> Pyr+ for pyrene (C16H10+),<br> H6-Pyr+ for 1,2,3,6,7,8-hexahydro-pyrene (C16H16+),<br> MePyr+ for 1-methylpyrene (C17H12+),<br> EtPyr+ for 4-ethyl-pyrene (C18H14+),<br> Cor+ for coronene (C24H12+),<br> MeCor+ for methyl-coronene (C25H14+),<br> EtCor+ for ethyl-coronene (C26H16+).</p> <p>In addition, the VUV_source folder contains the measurements corresponding to the VUV source calibration (see Fig. A.1 in the article appendix).</p> <p>The folder for TD-DFT calculations gathers the calculated photoabsorption cross-sections for all species of interest (see Fig. D.1 in the article appendix).</p>
Macrofauna, granulometry, n-alkanes and PAH's in sediments of the sandy beaches of the state of Yucatan: November 2018.
<p>This collection corresponds to the species registered and pollutants on sandy beaches of the State of Yucatan, Mexico, using the MBON P2P sampling protocol for sandy beaches, with funding from the LANRESC UNAM-CONACYT (Laboratorio Nacional de Resiliencia Costera, Universidad NAcional Autonoma de Mexico - CONACyT)</p>
Molecular dynamics simulation data of regulatory ACT domain dimer of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer.</p> <p><strong>binding.zip</strong>: simulation starting from 21 dimer conformations with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation starting from dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation starting from 21 dimer conformations simulation</p> <p>Simulation setup files are also included in each folder.</p> <p>Details can be found in this paper:</p> <p><strong>Yunhui Ge</strong>, Elias Borne, Shannon Stewart, Michael R. Hansen, Emilia C. Arturo, Eileen K. Jaffe and Vincent A. Voelz. <a href="http://www.jbc.org/content/293/51/19532"><em>Simulation of the regulatory ACT domain of human PAH unveil the mechanism of phenylalanine binding.</em></a> J. Biol. Chem., 2018, 293(51), pp 19532-19543</p>
Molecular dynamics simulation data of regulatory ACT domain monomer of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain monomer.</p> <p><strong>binding.zip</strong>: simulation starting from 21 monomer conformations with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation starting from monomer with bound Phe ligand</p> <p><strong>monomer_only.zip</strong>: simulation starting from 21 monomer conformations simulation</p> <p>Simulation setup files are also included in each folder. Adaptive sampling data are also included in <strong>monomer </strong>and <strong>binding</strong> simulations.</p> <p>Details can be found in this paper:</p> <p><strong>Yunhui Ge</strong>, Elias Borne, Shannon Stewart, Michael R. Hansen, Emilia C. Arturo, Eileen K. Jaffe and Vincent A. Voelz. <a href="http://www.jbc.org/content/293/51/19532"><em>Simulation of the regulatory ACT domain of human PAH unveil the mechanism of phenylalanine binding.</em></a> J. Biol. Chem., 2018, 293(51), pp 19532-19543</p>
All-atom molecular dynamics simulations of phenylalanine-4-hydroxylase (PAH) tetramer to investigate the impact of two novel heterozygous mutations, p.Y198N and p.Y204F, observed in a classical phenylketonuria patient
<p>Phenylalanine-4-hydroxylase (PAH) tetramer system (Robetta modelling to complete the structure with template PDB ID: 6hyc) with parametrised BH<sub>4</sub> ligand (parameters are available in the dataset) and Fe(II) metal ions in a TIP3P water box ionised with 0.15 M KCl were presented as wild-type and carrying two novel mutations as Y198N on dimeric chains A and B, and Y204F on dimeric chains C and D. In addition, E353 and E422 are protonated as predicted by PROPKA. BH<sub>4</sub> molecule parametrization was performed by using GAFF, Antechamber and “amb2chm_par.py” program of Amber2018.</p> <p>5,000-step minimization and 1 ns equilibration were performed by fixing the protein to relax the system. Then, another 5,000-step minimization and 1 ns equilibration were performed without any constraints, except the SHAKE algorithm on water molecules, to relax the protein and system. The production simulations were performed along 100 ns trajectory at 310 K collected under NpT ensemble.</p> <p>All system preparation and simulation details for this dataset is available with the related background, results and conclusions in the following article:</p> <p>Tolga Aslan, Aslı Yenenler-Kutlu, Umut Gerlevik, Ayşe Çiğdem Aktuğlu Zeybek, Ertuğrul Kıykım, Osman Uğur Sezerman & Necla Birgul Iyison (2021) Identifying and elucidating the roles of Y198N and Y204F mutations in the PAH enzyme through molecular dynamic simulations, Journal of Biomolecular Structure and Dynamics, DOI: <a href="https://doi.org/10.1080/07391102.2021.1921619">10.1080/07391102.2021.1921619</a></p>
Dataset - Ionic Species in a Naphthalene Plasma: Understanding Fragmentation Patterns and Growth of PAHs
<p>All mass spectrometry scans presented in 10.1021/acs.jpca.9b00100</p>
Supplementary material for Shivaei & Boogaard (2024): The tight correlation of PAH and CO emission from z~0-4
<p>Supplementary figure for the paper Shivaei & Boogaard (2024). The figure includes the UV-to-IR full SED fits to HST, JWST/NIRCam and MIRI, Herschel/PACS, and ALMA Bands 6 and 3 photometry of the ASPECS CO sample presented in Table 2 of the paper. An example SED is shown in Figure 1 of Shivaei & Boogaard (2024) with a full caption.</p> <div> <p> </p> </div>
PAH concentrations in the Fram Strait, the Canadian Arctic Archipelago and the lower Great Lakes
<p>The PEs were deployed at different water depths of deep moorings deployed in the Fram Strait during 2014-2015 (9 samples) and 2018-2019 (22 samples), as well as in surface seawater of the Canadian Arctic Archipelago (6 samples), and in the air (6 samples) and surface water (3 samples) of the lower Great Lakes during 2018-2019. For atmospheric sampling, PEs have deployed at ~1-2 m height and fixed inside two inverted bowls to prevent rainfall and direct solar radiation. For water sampling, PEs were strung on stainless steel wires and attached to stainless steel cages. The surface-water cages were fixed to subsurface floats at ~4-5 m depth, while the deep-water cages were fastened to deep moorings at different depths for ~1 year. PAH concentration data were collected.</p> <p>Supporting information for "Zhang, L., Ma, Y., Vojta, S., Morales-McDevitt, M., Hoppmann, M., Soltwedel, T., et al. (2023). Presence, Sources and Transport of Polycyclic Aromatic Hydrocarbons in the Arctic Ocean. <em>Geophysical Research Letters</em>, 50, e2022GL101496". <a href="https://doi.org/10.1029/2022GL101496">https://doi.org/10.1029/2022GL101496</a></p>
Molecular dynamics simulation data of regulatory ACT domain dimer of human phenylalanine hydroxylase (PAH) (dimer only)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer. Simulation starts from the crystal pose (PDB: 5FII) and is motivated by this paper:</p> <p>Yunhui Ge, Elias Borne, Shannon Stewart, Michael R. Hansen, Emilia C. Arturo, Eileen K. Jaffe and Vincent A. Voelz. <a href="http://www.jbc.org/content/293/51/19532"><em>Simulation of the regulatory ACT domain of human PAH unveil the mechanism of phenylalanine binding.</em></a> J. Biol. Chem., 2018, 293(51), pp 19532-19543</p>
Dataset for article Astrochemical relevance of VUV ionization of large PAH cations
<p>Dataset for the article "Astrochemical relevance of VUV ionization of large PAH cations" (DOI: 10.1051/0004-6361/202038139)</p> <p>Folders:<br> - ActionSpectra contains the action spectra data (Fig. 3)<br> - BranchingRatio contains the branching ratio data (Fig. 4)<br> - CrossSections contains the cross sections data (Figs. 5 and 6)<br> - PhotoionizationYields contains the yields data (Fig. 8)</p> <p>Files:<br> - MassSpectrum_C32H14+.txt contains the example mass spectra (Fig. 2)<br> - PhotoabsorptionCrossSections+.txt contains all four calculated photoabsorption cross sections and their mean in one file</p>
Optimization of cancer risk assessment model for PM2.5-bound PAHs Application in Shanxi of China SM
<p><span>To optimize the models for cancer risk assessment of PM<sub>2.5</sub></span><span>-bound polycyclic aromatic hydrocarbons (PAHs), six models of three types utilized with high frequency in recent years, including the USEPA recommendation (Model I), inhalation carcinogen unit risk (Models </span><span>II</span><span>A–IID), and three exposure pathways (inhalation, dermal, and oral) (Model </span><span>III), were selected to calculate potential cancer risk using the benzo[a]pyrene toxicity equivalent method. The results indicated no significant differences in the risk values between Models IIA and III, and no significant differences were found among Models </span><span>IIB</span><span>, </span><span>IIC</span><span>, and </span><span>IID</span><span>. </span><span>However, there were significant differences between Models I and </span><span>II</span><span>, and between Models I and </span><span>III. </span><span>Furthermore, the optimization of Model I indicated that the population exposure parameters for each country should be used and age differences should not be disregarded. However, no significant differences were observed with respect to gender.</span><span> In conclusion, Model I was superior to the other models; when age differences were not considered, Model IID (the USEPA's integrated risk information system) was preferred to replace Models </span><span>IIB</span><span> and </span><span>IIC</span><span>. Models IIA and </span><span>III may overestimate the risk of carcinogens, </span><span>and their parameters need to be reoptimized to accurately assess cancer risks.</span></p>
Data belonging to "Effect of molecular structure on the infrared signaturesof astronomically relevant PAHs"
<p>The data provided here form the basis of the publication titled:</p> <p>"Effect of molecular structure on the infrared signaturesof astronomically relevant PAHs"</p> <p>Which is published in Astronomy and Astrophysics</p> <p>The paper can be downloaded from:</p> <p>https://www.aanda.org/articles/aa/pdf/2019/01/aa34130-18.pdf</p> <p>The data contain raw spectra, both experimental and computational, mass spectrometric data and Cartesian coordinates of the optimized stuctures molecules studied in this work.</p> <p> </p>
Clinical Investigation Into Inhaled Treprostinil Sodium in Patients With Severe Pulmonary Arterial Hypertension (PAH)
ClinicalTrials.gov study NCT00147199. IPD Sharing: Not stated. Countries: 10. Publications: 1.
Open-label, Clinical Study to Evaluate the Safety and Tolerability of TreT in Subjects With PAH Currently Using Tyvaso
ClinicalTrials.gov study NCT03950739. IPD Sharing: NO. Countries: 1. Publications: 2.
Efficacy and Safety of Riociguat in Incipient Pulmonary Vascular Disease as an Indicator for Early PAH
ClinicalTrials.gov study NCT05339087. IPD Sharing: NO. Countries: 6. Publications: 5.
Extension to CQTI571A2102 to Evaluate Long-term Safety, Tolerability and Efficacy of Imatinib in Severe Pulmonary Arterial Hypertension (PAH)
ClinicalTrials.gov study NCT01392495. IPD Sharing: Not stated. Countries: 7. Publications: 2.
Incorporating the Venous Excess Ultrasound Score (VExUS Score) Into Contemporary Haemodynamic Risk Assessment in Pulmonary Arterial Hypertension: The INVEXUS-PAH Study
ClinicalTrials.gov study NCT07266012. IPD Sharing: YES. Countries: 1. Publications: 3.
Effects of Oral Sildenafil on Mortality in Adults With PAH
ClinicalTrials.gov study NCT02060487. IPD Sharing: YES. Countries: 23. Publications: 1.
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.