cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/5d2rjh
title: The centipedes (Arthropoda, Myriapoda, Chilopoda) from Colombia: Part I. Scutigeromorpha and Scolopendromorpha

description: This dataset contains the digitized treatments in Plazi based on the original journal article Chagas-Jr, Amazonas, Chaparro, Elisa, Jiménez, Sebastián Galvis, Triana, Hernán Darío Triana, Flórez, Eduardo, Seoane, José Carlos Sícoli (2014): The centipedes (Arthropoda, Myriapoda, Chilopoda) from Colombia: Part I. Scutigeromorpha and Scolopendromorpha. Zootaxa 3779 (2): 133-156, DOI: http://dx.doi.org/10.11646/zootaxa.3779.2.2
DOI: 10.6084/m9.figshare.14896686
title: Squamate_Occurance_Elevation.csv

description: Source Data for Figure 1 of Watson and Cox JEZ-B 2021. Raw data set originally obtained from iNaturalist.com database.
DOI: 10.6084/m9.figshare.14896686.v1
title: Squamate_Occurance_Elevation.csv

description: Source Data for Figure 1 of Watson and Cox JEZ-B 2021. Raw data set originally obtained from iNaturalist.com database.
DOI: 10.5281/zenodo.5056738
title: Electrochemical and Spectroscopic Data supported by Computational Models for Exploring the Metal- and Ligand-Based Oxidation of Mackinawite Nanoparticles

description: Supporting information to our study, where under anaerobic conditions, ferrous iron reacts with sulfide producing FeS precipitate, which can then undergo a temperature, redox potential, and pH dependent maturation process resulting in the formation of oxidized mineral phases such as gregite or pyrite. The dataset provide information about the chemical speciation of iron-sulfide by cyclic voltammetry, Raman and X-ray absorption spectroscopic techniques. Nanoparticulate FeS was found to get oxidized to a Fe<sup>3+</sup> containing FeS phase at -0.5 V vs. Ag/AgCl (pH = 7) and in a concomitant oxidation step, polysulfides are proposed to give a material described as Fe<sup>2+</sup><sub>(1−3x)</sub>Fe<sup>3+</sup><sub>(2x)</sub>S<sup>2-</sup><sub>(1-y)</sub>(S<sub>n</sub><sup>2-</sup>)<sub>y</sub>. The thermodynamic differences between ligand- and metal-based oxidation processes from density functional theory can be used to describe one- and two-electron electronic and structural transformations. These findings together point to the existence of a previously unknown, metastable FeS phase located between FeS and greigite (Fe<sup>2+</sup>Fe<sup>3+</sup><sub>2</sub>S<sup>2-</sup><sub>4</sub>) along a metal oxidation path, and Fe<sup>2+</sup>S<sup>2-</sup> and pyrite (Fe<sup>2+</sup>S<sub>2</sub><sup>2-</sup>) along a ligand oxidation path, respectively.
description: Manuscript is under consideration at Dalton Trans. 2021 DT-ART-05-2021-001684. S. A. S. acknowledges a graduate scholarship received from the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. S. E. M. acknowledges support by NSF award # 1724300. Use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The SSRL Structural Molecular Biology Program is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Institute of General Medical Sciences (P30GM133894). The contents of this publication are solely the responsibility of the authors and do not necessarily represent the official views of NIGMS or NIH. Access to CCDB and ICSD crystal structures databases and subsequent computational research was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award DESC0020246 (RKSz).
DOI: 10.5281/zenodo.5056737
title: Electrochemical and Spectroscopic Data supported by Computational Models for Exploring the Metal- and Ligand-Based Oxidation of Mackinawite Nanoparticles

description: Supporting information to our study, where under anaerobic conditions, ferrous iron reacts with sulfide producing FeS precipitate, which can then undergo a temperature, redox potential, and pH dependent maturation process resulting in the formation of oxidized mineral phases such as gregite or pyrite. The dataset provide information about the chemical speciation of iron-sulfide by cyclic voltammetry, Raman and X-ray absorption spectroscopic techniques. Nanoparticulate FeS was found to get oxidized to a Fe<sup>3+</sup> containing FeS phase at -0.5 V vs. Ag/AgCl (pH = 7) and in a concomitant oxidation step, polysulfides are proposed to give a material described as Fe<sup>2+</sup><sub>(1−3x)</sub>Fe<sup>3+</sup><sub>(2x)</sub>S<sup>2-</sup><sub>(1-y)</sub>(S<sub>n</sub><sup>2-</sup>)<sub>y</sub>. The thermodynamic differences between ligand- and metal-based oxidation processes from density functional theory can be used to describe one- and two-electron electronic and structural transformations. These findings together point to the existence of a previously unknown, metastable FeS phase located between FeS and greigite (Fe<sup>2+</sup>Fe<sup>3+</sup><sub>2</sub>S<sup>2-</sup><sub>4</sub>) along a metal oxidation path, and Fe<sup>2+</sup>S<sup>2-</sup> and pyrite (Fe<sup>2+</sup>S<sub>2</sub><sup>2-</sup>) along a ligand oxidation path, respectively.
description: Manuscript is under consideration at Dalton Trans. 2021 DT-ART-05-2021-001684. S. A. S. acknowledges a graduate scholarship received from the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. S. E. M. acknowledges support by NSF award # 1724300. Use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The SSRL Structural Molecular Biology Program is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Institute of General Medical Sciences (P30GM133894). The contents of this publication are solely the responsibility of the authors and do not necessarily represent the official views of NIGMS or NIH. Access to CCDB and ICSD crystal structures databases and subsequent computational research was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award DESC0020246 (RKSz).
DOI: 10.15468/aenrcf
title: Morphological variations of Phrosina semilunata Risso, 1822 juveniles (Crustacea Amphipoda: Hyperiidea), new evidence from the Gulf of Mexico

description: This dataset contains the digitized treatments in Plazi based on the original journal article Violante-Huerta, Marco, Sanvicente-Añorve, Laura, Hermoso-Salazar, Margarita, Marrón-Becerra, Aurora (2021): Morphological variations of Phrosina semilunata Risso, 1822 juveniles (Crustacea Amphipoda: Hyperiidea), new evidence from the Gulf of Mexico. Zootaxa 4995 (3): 594-600, DOI: https://doi.org/10.11646/zootaxa.4995.3.13
DOI: 10.6084/m9.figshare.12268727.v6
title: Experimental sediment transport data using a light table device and analysis scripts

description: This repository provides raw data and python 3 scripts to reproduce figures and analysis provided in a journal publication by the first two authors. The raw data is in the form of fractional particle flux [particles per second], for six different grain size fractions. The data were measured during a flume experiment completed at the University of British Columbia, and reported by Chartrand et al., 2018; 2019. See the READ_ME.txt file in this repository for more details about the data and python 3 scripts.<br>
DOI: 10.5281/zenodo.5057219
title: EWilson_MITgcm_SPG_input_files_v001

description: Upload of input files for MITgcm described in the following study: Wilson EA, Thompson AF, Stewart AL, Sun S. Bottom-up control of subpolar gyres and the overturning circulation in the Southern Ocean. Journal of Physical Oceanography. Submitted.
DOI: 10.5281/zenodo.5057218
title: EWilson_MITgcm_SPG_input_files_v001

description: Upload of input files for MITgcm described in the following study: Wilson EA, Thompson AF, Stewart AL, Sun S. Bottom-up control of subpolar gyres and the overturning circulation in the Southern Ocean. Journal of Physical Oceanography. Submitted.
DOI: 10.25345/c5125d
title: MassIVE MSV000087734 - Gluconeogenic/Glycolytic growth in P. putida KT2440 and C. testosteroni Kf1
title: Data comparing protein expression during gluconeogenic growth (on succinate) versus glycolytic growth (on gluconate) of P. putida KT2440 and C. testosteroni Kf1. Quantification by diDO-IPTL (Waldbauer et al. 2017 Analytical Chemistry).
DOI: 10.5281/zenodo.5056786
title: The Structure of the Cusp Diamagnetic Cavity and Test Particle Energization in the GAMERA Global MHD Simulation

description: CHIMP test particle simulation data. The data set is described in the supporting information from the publication "The Structure of the Cusp Diamagnetic Cavity and Test Particle Energization in the GAMERA Global MHD Simulation"
DOI: 10.5281/zenodo.5056785
title: The Structure of the Cusp Diamagnetic Cavity and Test Particle Energization in the GAMERA Global MHD Simulation

description: CHIMP test particle simulation data. The data set is described in the supporting information from the publication "The Structure of the Cusp Diamagnetic Cavity and Test Particle Energization in the GAMERA Global MHD Simulation"
DOI: 10.25345/c5wc24
title: MassIVE MSV000087739 - Swabbing_Project_Massive_Documents_mitchelle_data
title: swab project data, from folder name: Swabbing_Project_Massive_Documents_mitchelle_data
DOI: 10.5281/zenodo.5057027
title: Accurate annotation of protein coding sequences with IDTAXA - Training Data

description: Training data used to test IDTAXA, HMMER, and BLAST performance of classification of amino acid and nucleotide sequences.
DOI: 10.5281/zenodo.5057026
title: Accurate annotation of protein coding sequences with IDTAXA - Training Data

description: Training data used to test IDTAXA, HMMER, and BLAST performance of classification of amino acid and nucleotide sequences.
DOI: 10.6084/m9.figshare.14883615
title: Supporting Material: The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis

description: Supporting material: Structures, input- and output files; frequency calculation summaries, and Python scripts, for all DFT calculations in the manuscript "The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis" by S. J. H. Gaughan, J. D. Hirst, A. K. Croft, C. M. Jaeger
DOI: 10.6084/m9.figshare.14883615.v2
title: Supporting Material: The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis

description: Supporting material: Structures, input- and output files; frequency calculation summaries, and Python scripts, for all DFT calculations in the manuscript "The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis" by S. J. H. Gaughan, J. D. Hirst, A. K. Croft, C. M. Jaeger
DOI: 10.6084/m9.figshare.14883615.v1
title: Supporting Material: The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis

description: Supporting material: Structures, input- and output files; frequency calculation summaries, for all DFT calculations in the manuscript "The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis" by S. J. H. Gaughan, J. D. Hirst, A. K. Croft, C. M. Jaeger
DOI: 10.15468/jrrsa7
title: Integrative taxonomy base on morphology and molecular phylogeny with description of a new genus, Progoniogryllus gen. nov. and two new species (Orthoptera: Grylloidea: Gryllidae; Gryllinae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Ma, Libin, Jing, Xuan, Zheng, Yanna (2021): Integrative taxonomy base on morphology and molecular phylogeny with description of a new genus, Progoniogryllus gen. nov. and two new species (Orthoptera: Grylloidea: Gryllidae; Gryllinae). Zootaxa 4995 (3): 523-536, DOI: https://doi.org/10.11646/zootaxa.4995.3.7
DOI: 10.5281/zenodo.5041436
title: Development and analysis of entropy stable no-slip wall boundary conditions for the Eulerian model for viscous and heat conducting compressible flows

description: The database used in the submission of "Development and analysis of entropy stable no-slip wall boundary conditions implementation of the Eulerian model for viscous and heat conducting compressible flows." Abstract: Nonlinear entropy stability analysis is used to derive entropy stable no-slip wall boundary conditions for the Eulerian model proposed by Svärd ( <em>Physica A: Statistical Mechanics and its Applications, 2018 </em>). and its spatial discretization based on entropy stable collocated discontinuous Galerkin operators with the summation-by-parts property for unstructured grids. A set of viscous test cases of increasing complexity are simulated using both the Eulerian and the classic compressible Navier–Stokes models. The numerical results obtained with the two models are compared, and differences and similarities are then highlighted.
DOI: 10.5281/zenodo.5041335
title: Development and analysis of entropy stable no-slip wall boundary conditions for the Eulerian model for viscous and heat conducting compressible flows

description: The database used in the submission of "Development and analysis of entropy stable no-slip wall boundary conditions implementation of the Eulerian model for viscous and heat conducting compressible flows." Abstract: Nonlinear entropy stability analysis is used to derive entropy stable no-slip wall boundary conditions for the Eulerian model proposed by Svärd ( <em>Physica A: Statistical Mechanics and its Applications, 2018 </em>). and its spatial discretization based on entropy stable collocated discontinuous Galerkin operators with the summation-by-parts property for unstructured grids. A set of viscous test cases of increasing complexity are simulated using both the Eulerian and the classic compressible Navier–Stokes models. The numerical results obtained with the two models are compared, and differences and similarities are then highlighted.
DOI: 10.6084/m9.figshare.14812038
title: C2D_AtomsFormat

description: Data fromhttps://cmrdb.fysik.dtu.dk/c2db/<br>converted to jarvis.core.Atoms format for ML training purposes.
DOI: 10.6084/m9.figshare.14812038.v2
title: C2D_AtomsFormat

description: Data fromhttps://cmrdb.fysik.dtu.dk/c2db/<br>converted to jarvis.core.Atoms format for ML training purposes.
DOI: 10.6084/m9.figshare.14812038.v1
title: C2D_AtomsFormat

description: Data fromhttps://cmrdb.fysik.dtu.dk/c2db/<br>converted to jarvis.core.Atoms format for ML training purposes.
DOI: 10.5066/p9fe27hj
title: Raster Dataset Model of Oil Shale Resources in the Piceance Basin, Colorado

description: ESRI GRID raster datasets were created to display and quantify oil shale resources for seventeen zones in the Piceance Basin, Colorado as part of a 2009 National Oil Shale Assessment. The oil shale zones in descending order are: Bed 44, A Groove, Mahogany Zone, B Groove, R-6, L-5, R-5, L-4, R-4, L-3, R-3, L-2, R-2, L-1, R-1, L-0, and R-0. Each raster cell represents a one-acre square of the land surface and contains values for either oil yield in barrels per acre, gallons per ton, or isopach thickness, in feet, as defined by the grid name: *_b (barrels per acre), *_g (gallons per ton), and *_i (isopach thickness) where "*" can be replaced by the name of the oil shale zone.
DOI: 10.5066/p9d94p21
title: National Oil and Gas Assessment Province Boundaries through 2012

description: The USGS Central Region Energy Team assesses oil and gas resources of the United States. The onshore and State water areas of the United States comprise 71 provinces. Within these provinces, Total Petroleum Systems are defined and Assessment Units are defined and assessed. Each of province is defined geologically, and most province boundaries are defined by major geologic changes. This dataset is a compilation of data that has been studied and published separately, and in some cases adjacent provinces do not share a common boundary. As a consequence, there are numerous gaps and overlaps in this layer.
DOI: 10.6084/m9.figshare.14896869
title: LD-CS-LE-200218_LutsenkoS_AG_TMT_inversegroups_abundances_normalized.xlsx

description: dataset for male mice proteomics that are either wildtype (fed with normal chow or wester diet) and atp7b-/- knockout mice (fed with either normal chow or wester diet)
DOI: 10.6084/m9.figshare.14896869.v2
title: LD-CS-LE-200218_LutsenkoS_AG_TMT_inversegroups_abundances_normalized.xlsx

description: dataset for male mice proteomics that are either wildtype (fed with normal chow or wester diet) and atp7b-/- knockout mice (fed with either normal chow or wester diet)
DOI: 10.6084/m9.figshare.14896869.v1
title: LD-CS-LE-200218_LutsenkoS_AG_TMT_inversegroups_abundances_normalized.xlsx

description: dataset for male mice proteomics that are either wildtype (fed with normal chow or wester diet) and atp7b-/- knockout mice (fed with either normal chow or wester diet)
DOI: 10.3886/e119446v109
title: COVID-19 US State Policy Database

description: For questions or comments about the database please contact:<br>Alexandra Skinner <br>skinnera@bu.edu <br>Research Fellow & Database Manager<br>Department of Health Law, Policy & Management <br>Boston University School of Public Health<br><br>Database of state policies on closures, shelter-in-place orders, housing protections, changes to Medicaid and SNAP, physical distancing closures, reopening, and more created by researchers at the Boston University School of Public Health. Policies included are state-wide directives or mandates, not guidance or recommendations. In order for a policy to be included, it must apply to the entire state. We are working quickly to go through state government websites to make the policy database as complete and accurate as possible in a rapidly changing policy context. If you use data on a given policy, we encourage you to triangulate based on additional sources of policy data and to review the source documentation to consider the coding decisions that are right for your work. Of course, please email us if you note a discrepancy so we can improve the database for everyone. State policy source documentation can be found at: tinyurl.com/statepolicysources.
description: State policies. Smallest Geographic Unit: State
description: other; Contributors: Megan Cole Brahim, Noa Krawczyk, Carolyn Hoffman, Claire Corkish, Elizabeth Ferrara, Elizabeth Long, Emily Baroni, Faith Contador, Hannah Simon, Morgan Simko, Rachel Scheckman, Sarah Brewer, Sue Kulkarni, Felicia Heykoop, Manish Patel, Aishwarya Vidyasagaran, Andrew Chiao, Cara Safon, Samantha Burkhart, Harry Jung, Victor Lee, Marina MacKinnon, Aarohi Rede, Marie Vearling, Sophie Li, Christina Wang, Tim Levengood, María Jordán P. Emma Chistolini
DOI: 10.5066/p9rtacoi
title: TIN Dataset Model of Overburden Above the Mahogany Zone in the Piceance Basin, Colorado

description: An ESRI TIN data model of the overburden material above the Mahogany Zone was needed to perform calculations in the Piceance Basin, Colorado as part of a 2009 National Oil Shale Assessment.
DOI: 10.5066/p9r5qqpr
title: TIN Dataset Model of the Mahogany Zone Structure in the Piceance Basin, Colorado

description: An ESRI TIN data model of the Mahogany Zone structure was needed to perform overburden calculations in the Piceance Basin, Colorado as part of a 2009 National Oil Shale Assessment.
DOI: 10.34948/n3g59g
title: NGA-Sub Relational Database Tables: R210626
DOI: 10.25345/c5rk06
title: MassIVE MSV000087741 - Tal Keren Kaplan and Juan Bonifacino LFQ data Sprot-Huamn-Cano
title: Label free quantitation of 15 samples. Data acquisition was performed on UltiMate 3000 RSLC/Orbitrap Fusion Lumos system. The database search was performed with Proteome Discoverer 2.4 using SequestHT as search engine.
DOI: 10.5517/ccdc.csd.cc24g571
title: CCDC 1979822: Experimental Crystal Structure Determination

description: Related Article: Ece Bulak, İlknur Doğan, Tereza Varnali, Martina Bubrin, Furkan Isikgor, Sule Erol Gunal, Peter Lönnecke, Brigitte Schwederski, Wolfgang Kaim|2021|Eur.J.Inorg.Chem.|2021|2425|doi:10.1002/ejic.202100277
DOI: 10.5517/ccdc.csd.cc25pkk0
title: CCDC 2016722: Experimental Crystal Structure Determination

description: Related Article: Zaibin Wang, Hanjie Li, Zhichao Wang, Muhammad Suleman, Yanguang Wang, Ping Lu|2021|J.Org.Chem.|86|8101|doi:10.1021/acs.joc.1c00590
DOI: 10.5517/ccdc.csd.cc26v1ty
title: CCDC 2050830: Experimental Crystal Structure Determination

description: Related Article: Zaibin Wang, Hanjie Li, Zhichao Wang, Muhammad Suleman, Yanguang Wang, Ping Lu|2021|J.Org.Chem.|86|8101|doi:10.1021/acs.joc.1c00590
DOI: 10.5281/zenodo.5042710
title: MicroED datasets of phenoxypyridone

description: MicroED datasets of 3-(2-chloro-4-fluorophenoxy)- 2(1H)-pyridinone were collected using Talos Arctica (200 kV) with the CMOS camera Ceta. The stage was controlled using SerialEM and diffraction images were independently collected using Velox software. For this reason, only frames with constant rotation speed should be used for data processing. Rotation step (continuous) was ~0.953°/frame and tilt range was +/-30 or 60°. The calibrated camera length using Al powder was 819.71 mm. Crystals belonged to space group <em>P</em>2<sub>1</sub>/<em>c</em> with a~10.9, b~4.5, c~21.3 Å, β=100.2° (A-form) or a~9.0, b~14.2, c~7.7 Å, β=104.9° (B-form). Collection condition: gun lens 4, spot 11, C2 parallel beam condition, 0.086 e/Å<sup>2</sup>/sec, total 6.3 e/Å<sup>2</sup> Note: EMD files (hdf5 format) were transparently compressed using h5repack -f SHUF -f GZIP=4 command to reduce file size. EMD file can be processed with DIALS using this dxtbx format file. Metadata (machine parameters, stage tilt angles etc.) is stored as json format in /Data/Image/*/Metadata in emd file. See here for details.
DOI: 10.5281/zenodo.5042709
title: MicroED datasets of phenoxypyridone

description: MicroED datasets of 3-(2-chloro-4-fluorophenoxy)- 2(1H)-pyridinone were collected using Talos Arctica (200 kV) with the CMOS camera Ceta. The stage was controlled using SerialEM and diffraction images were independently collected using Velox software. For this reason, only frames with constant rotation speed should be used for data processing. Rotation step (continuous) was ~0.953°/frame and tilt range was +/-30 or 60°. The calibrated camera length using Al powder was 819.71 mm. Crystals belonged to space group <em>P</em>2<sub>1</sub>/<em>c</em> with a~10.9, b~4.5, c~21.3 Å, β=100.2° (A-form) or a~9.0, b~14.2, c~7.7 Å, β=104.9° (B-form). Collection condition: gun lens 4, spot 11, C2 parallel beam condition, 0.086 e/Å<sup>2</sup>/sec, total 6.3 e/Å<sup>2</sup> Note: EMD files (hdf5 format) were transparently compressed using h5repack -f SHUF -f GZIP=4 command to reduce file size. EMD file can be processed with DIALS using this dxtbx format file. Metadata (machine parameters, stage tilt angles etc.) is stored as json format in /Data/Image/*/Metadata in emd file. See here for details.