cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2b8n8k
title: CCDC 2153268: Experimental Crystal Structure Determination

description: Related Article: Magdalena Woińska, Sylwia Pawlędzio, Michał L. Chodkiewicz, Krzysztof Woźniak|2023|J.Phys.Chem.A|127|3020|doi:10.1021/acs.jpca.2c06998
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b8n9l
title: CCDC 2153269: Experimental Crystal Structure Determination

description: Related Article: Magdalena Woińska, Sylwia Pawlędzio, Michał L. Chodkiewicz, Krzysztof Woźniak|2023|J.Phys.Chem.A|127|3020|doi:10.1021/acs.jpca.2c06998
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b8nbm
title: CCDC 2153270: Experimental Crystal Structure Determination

description: Related Article: Magdalena Woińska, Sylwia Pawlędzio, Michał L. Chodkiewicz, Krzysztof Woźniak|2023|J.Phys.Chem.A|127|3020|doi:10.1021/acs.jpca.2c06998
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b98b8
title: CCDC 2153859: Experimental Crystal Structure Determination

description: Related Article: Magdalena Woińska, Sylwia Pawlędzio, Michał L. Chodkiewicz, Krzysztof Woźniak|2023|J.Phys.Chem.A|127|3020|doi:10.1021/acs.jpca.2c06998
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b9897
title: CCDC 2153858: Experimental Crystal Structure Determination

description: Related Article: Magdalena Woińska, Sylwia Pawlędzio, Michał L. Chodkiewicz, Krzysztof Woźniak|2023|J.Phys.Chem.A|127|3020|doi:10.1021/acs.jpca.2c06998
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b9853
title: CCDC 2153854: Experimental Crystal Structure Determination

description: Related Article: Magdalena Woińska, Sylwia Pawlędzio, Michał L. Chodkiewicz, Krzysztof Woźniak|2023|J.Phys.Chem.A|127|3020|doi:10.1021/acs.jpca.2c06998
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bcq5m
title: CCDC 2156210: Experimental Crystal Structure Determination

description: Related Article: Dylan M.T. Eralie, Tessa M. Hoang, Justin A. Williamson, Daniel K. Unruh, John D. Gorden, Anne E.V. Gorden|2023|Inorg.Chem.|62|18029|doi:10.1021/acs.inorgchem.3c01991
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25345/c58k7570q
title: MassIVE MSV000081432 - Human milk metabolomics
title: untargeted metabolomics (RPLX, positive mode) on human milk samples to investigate the presence of maternal drugs and dietary factors in breast milk
DOI: 10.5066/p96iuh2
title: ATR Data from Interaction of kerogen with brine-saturated supercritical carbon dioxide (CO2) and its implications to geologic carbon sequestration and enhanced oil/gas recovery (2018)

description: The dataset covers Attenuated Total Reflectance (ATR) measurements taken from altered kerogen in shales from the Woodford formation. The ATR measurements were taken after the samples were run through supercritical CO2 alteration experiments in a brine solution.
DOI: 10.5066/f76m361r
title: Microbiology of the greater Bravo Dome region

description: Bravo Dome is a commercial natural CO2 field that supplies the gas to depleted oil fields for enhanced oil recovery. In order to understand the distribution of CO2 across the greater Bravo Dome region, including southeastern Colorado and northwestern New Mexico, and to assess the impacts of high CO2 concentrations on microbes in the subsurface, 7 samples were collected from sites associated with high natural CO2 concentrations. Four water samples were collected, two from wells producing within Bravo Dome, one from an oil and gas field north of Bravo Dome associated with high CO2 concentrations, the Oakdale field, and one sample from a shallow groundwater well on the Rafter K ranch that effervesces CO2. Three samples were collected from the associated gas streams from two Oakdale field wellheads and from the Rafter K well. The samples were filtered for biomass, extracted, amplified, and 16S rRNA gene sequencing was performed on the Illumina MiSeq platform.
DOI: 10.3886/e195143
title: Neural Diversity and Decisions

description: The present study measured nine physiologic factors and collected 16 types of psychological data while participants made decisions in standard tasks from experimental economics measuring risk aversion, intertemporal patience, altruism, cooperation, generosity, trust and trustworthiness. Robust predictors were defined as those that were statistically significant in both forward and backward stepwise regressions using all the collected independent variables. The analysis showed that multiple measures of physiologic stress decrease cooperative behaviors while testosterone consistently increased antisocial behaviors. Further, cognitive abilities robustly increased patience but decreased cooperation while those more satisfied with their lives were more trustworthy. Participants scoring high on the personality trait of Imagination were shown to be less altruistic and generous, while those high on Neuroticism were more prosocial.
DOI: 10.3886/e195143v1
title: Neural Diversity and Decisions

description: The present study measured nine physiologic factors and collected 16 types of psychological data while participants made decisions in standard tasks from experimental economics measuring risk aversion, intertemporal patience, altruism, cooperation, generosity, trust and trustworthiness. Robust predictors were defined as those that were statistically significant in both forward and backward stepwise regressions using all the collected independent variables. The analysis showed that multiple measures of physiologic stress decrease cooperative behaviors while testosterone consistently increased antisocial behaviors. Further, cognitive abilities robustly increased patience but decreased cooperation while those more satisfied with their lives were more trustworthy. Participants scoring high on the personality trait of Imagination were shown to be less altruistic and generous, while those high on Neuroticism were more prosocial.
DOI: 10.34740/kaggle/dsv/6975847
title: PlantDoc Classification dataset
DOI: 10.6084/m9.figshare.24566968
title: Effects of Dual-Release Hydrocortisone on Bone Metabolism in Primary and Secondary Adrenal Insufficiency: a 6-Year Study - Supplemental Materials

description: Supplementary Material for the article "Effects of Dual-Release Hydrocortisone on Bone Metabolism in Primary and Secondary Adrenal Insufficiency: a 6-Year Study"
DOI: 10.6084/m9.figshare.24566968.v2
title: Effects of Dual-Release Hydrocortisone on Bone Metabolism in Primary and Secondary Adrenal Insufficiency: a 6-Year Study - Supplemental Materials

description: Supplementary Material for the article "Effects of Dual-Release Hydrocortisone on Bone Metabolism in Primary and Secondary Adrenal Insufficiency: a 6-Year Study"
DOI: 10.6084/m9.figshare.24566968.v1
title: DR-HC_and_Bone_Supplemetary_Tables_1_2.docx

description: Supplementary Material for the article "Effects of Dual-Release Hydrocortisone on Bone Metabolism in Primary and Secondary Adrenal Insufficiency: a 6-Year Study"
DOI: 10.5519/qd.34606v2h
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (21 records)
DOI: 10.5066/p9kfqokm
title: Coking coal of the United States: Modern and historical locations of coking coal mining locations and chemical, rheological, petrographic, and other data from modern samples

description: For the open-file report we collected new coking coal samples from Alabama, Kentucky, Oklahoma and Arkansas and analyzed them for proximate and ultimate analyses; calorific value; sulfur forms; major-, minor-, and trace-element abundances; free swelling indices; Gieseler plasticity; ASTM dilatation; coal petrography, and several other tests [air-dry loss (ADL), residual moisture (RM), equilibrium moisture (EQM), and true specific gravity (TSG)]. Coal Stability Factor (CSF) and Coal Strength after Reaction with CO2 (CSR) were predicted using chemical, rheological, and petrographic data (pCSF and pCSR, respectively). In addition, data from previously analyzed samples in Pennsylvania, West Virginia, Virginia, and Kentucky were shared with us by three companies, including results from the tests listed above, plus oxidation, Hardgrove Grindability Index (HGI), and ash fusion temperatures. These data are the contents of appendices 2-8 of the open-file report and this data release. In addition, appendices 20 and 21 of the open-file report and this data release include data previously published by the U.S. Bureau of Mines (USBM) in their Minerals Yearbooks listing the annual amounts of coal purchased (in short tons) for manufacturing oven-coke in six coal districts in Pennsylvania from 1942-1965 (in appendix 20), and the annual amounts of coal received by oven-coke plants (in short tons) in 17 Pennsylvania counties from 1966-1976 (in appendix 21). These previously published data have been included in this data release because they are currently not available online and the original USBM paper publications are not available in most libraries.
DOI: 10.5066/p9zm36fg
title: Mineral abundances within bulk and size-fractionated mine waste from the Tar Creek Superfund Site, Tri-State Mining District, Oklahoma, U.S.A.

description: Mineral abundances within bulk and size-fractionated mine waste from sampled historical waste piles from the Tar Creek Superfund Site, Oklahoma, U.S.A., were determined by Mineral Liberation Analysis (MLA) and X-Ray Diffraction (XRD). Data and methods reported are part of a research study published below in the 'Related External Resources' section.
DOI: 10.6084/m9.figshare.24566995
title: PVC Release V0.1

description: This table contains information on the viruses currently included in the most recent PVC release. Please see the other files in this project to download sequences and additional metadata.Abstract<br><br>Identifying viruses in compositional bulk sequencing data, like metagenomics or metatranscriptomics, is of increasing interest to the scientific community. However, small, repetitive, and poorly characterized genomes haunt viral reference databases, so accurately estimating the viral composition of a community is difficult. Here, we present both 1) the Pan Viral Compendium (PVC), a quality-controlled database generated from known viral life alongside 2) an aligner, Xtree, optimized for clade-specific, high sensitivity and specificity viral genome alignment. The PVC is a dereplicated set of viral genomes from nine estabilished databases, representing 2,851,990 viruses when dereplicated at 99% identity. We provide taxonomic and host species annotations, quality control metrics for every genome, and indexed alignment databases for use with Xtree. We additionally benchmarked Xtree, identifying its overall accuracy in viral identification in complex communities across taxonomic ranks and within specific clades, identifying parameters (e.g, specific databases, coverage thresholds) for quantifying precision viral abundances at even the species level. In total, the PVC and its companion aligner will enable strain-resolved viral metagenomics and metatranscriptomics that can be easily optimized to a given user's specific needs.
DOI: 10.5066/p9an5gj0
title: Geochemistry of Utica Shale Play and other Appalachian produced waters

description: Citation Note: These data were collected as part of a research study published in Environmental Science and Technology. Please reference the following paper when citing these data. Blondes, M.S., Shelton, J.L., Engle, M.A., Trembly, J.P., Doolan, C.A., Jubb, A.M., Chenault, J.M., Rowan, E.L., Haefner, R.J., and Mailot, B.E., 2020, Utica Shale Play Oil and Gas Brines: Geochemistry and Factors Influencing Wastewater Management: Environmental Science & Technology, https://dx.doi.org/10.1021/acs.est.0c02461. The Utica and Marcellus Shale Plays in the Appalachian Basin are the 4th and 1st largest natural gas producing plays in the United States. Hydrocarbon production generates large volumes of brine ("produced water") that must be disposed of, treated, or reused. Though Marcellus brines have been studied extensively, there are few studies from the Utica Shale Play. This study presents new brine chemical analyses from 16 Utica Shale Play wells in Ohio and Pennsylvania. Results from Na-Cl-Br systematics and stable and radiogenic isotopes suggest that the Utica Shale Play brines are likely residual pore water concentrated beyond halite saturation during the formation of the Ordovician Beekmantown evaporative sequence. The narrow range of chemistry for the Utica Shale Play produced waters (e.g., total dissolved solides = 214 - 283 g/L) over both time and space implies a consistent composition for disposal and reuse planning. The amount of salt produced annually from the Utica Shale Play is equivalent to 3.4% of annual U.S. halite production. Utica Shale Play brines have radium activities 580 times the EPA maximum contaminant level and are supersaturated with respect to barite, indicating the potential for surface and aqueous radium hazards if not properly disposed of.
DOI: 10.6084/m9.figshare.24132840
title: MidColumbia.zip - a large spatial stream network data set

description: large spatial stream network data set used in following publications,Isaak, D.J., Wenger, S.J., Peterson, E.E., Ver Hoef, J.M., Nagel, D.E., Luce, C.H., Hostetler, S.W., Dunham, J.B., Roper, B.B., Wollrab, S.P., Chandler, G.L., Horan,D.L., Parkes-Payne, S. 2017. The NorWeST Database and Modeled Summer Temperature Scenarios: Massive Crowd-sourcing and New Geospatial Tools Reveal Broad Climate Warming of Rivers and Streams in the Western U.S. Water Resources Research: 53(11): 9181–9205. DOI: 10.1002/2017WR020969.andVer Hoef, J.M., Dumelle, M., Higham, M., Peterson, E.E., and Isaak, D.J. 2023. Indexing and Partitioning the Spatial Linear Model for Large Data Sets. PLOS ONE 18(11): e0291906. PLOS ONE 18(11): e0291906<br><br>
DOI: 10.5281/zenodo.10127842
title: SST forcing files and Model Builds for "Inter-basin versus intra-basin sea surface temperature forcing of the Western North Pacific subtropical high's westward extensions"

description: This repository provides archives of the Community Earth System Model version 2.2.0 (CESM2.2.0) and case directories for the simulations used in the "Inter-basin versus intra-basin sea surface temperature forcing of the Western North Pacific subtropical high's westward extensions" manuscript. The repository includes:

The original sea surface temperature forcing files used in each experiment (SST_Forcing Files) 
The F2000CLIMO compset model builds forced for each experiment
DOI: 10.5066/p9d9zogu
title: Low biomass microbiology samples collected from a hydraulically fractured well producing from the Niobrara Shale in Colorado

description: Low biomass waters provide a unique challenge in the field of microbial ecology. It is difficult to determine, when biomass concentrations are extremely low, whether or not the sequencing data received are of good quality and representative of the waters sampled. Fifty-nine samples including 8 blanks were collected from a low biomass hydraulically fractured well producing from the Niobrara Shale in Colorado. At least 4 samples were collected by filtering the exact volume for each listed here: 1000 mL, 900 mL, 800 mL, 700 mL, 600 mL, 500 mL, 400 mL, 300 mL, 200 mL, 100 mL, 0 mL (blanks).
DOI: 10.6084/m9.figshare.24567208
title: Supplementary Material for: Olfactory cues of naturally occurring systemic inflammation: A pilot study of seasonal allergy

description: Introduction: In an attempt to avoid contact with infectious individuals, humans likely respond to generalised rather than specific markers of disease. Humans may thus perceive a non-infectious individual as socially less attractive if they look (e.g., have facial discoloration), move (e.g., have a slower walking pace), or sound (e.g., sneeze) sick. This pilot study tested whether humans are averse to the body odour of non-infectious individuals with a low-grade systemic inflammation. Methods: We collected the axillary body odour of individuals with severe seasonal allergy (N = 14) and healthy controls (N = 10) during and outside the allergy season and measured serum levels of two inflammatory cytokines (tumor necrosis factor-α, interleukin-5). Independent participants (N = 67) then sampled and rated these odours on intensity and pleasantness. Results: While individuals with seasonal allergy had nominally more unpleasant and intense body odours during the allergy season - relative to outside of the allergy season and to healthy controls - these effects were not significant. When examining immune markers, the change in perceived pleasantness of an individual’s body odour (from out- to inside pollen season), was significantly related to the change in their interleukin-5 levels but not to tumor necrosis factor-α. Discussion: Our findings tentatively suggest that the human olfactory system could be sensitive to inflammation as present in a non-communicable condition. Larger replications are required to determine the role of olfaction in the perception of infectious and non-infectious (e.g., chronic diseases) conditions.
DOI: 10.5066/p9sa2m1l
title: The chemistry of eolian quartz dust and the origin of chert

description: Temporal and spatial sources of silica for chert remain poorly constrained. Modern sources to the worlds oceans include silica in rivers &gt; aeolian (dust) deposition &gt; sea floor vents and submarine weathering. However, changes in aridity and dust flux during the Phanerozoic may explain variations in the ocean silica cycle and times and places of chert formation. The chemistry of fine quartz dust (FQD) provides a chemical mechanism for the transformation of FQD to polymorphs of silica in chert; FQD is readily dissolved, then reprecipitated as Opal-A by either biotic or abiotic processes. An unequivocal relation between increases in dust flux and biogenic opal-A in the western Pacific Ocean during the past 200 kyr helps explain why dust was a probable source of silica for Phanerozoic chert in disparate depositional environments ranging from the deep sea to epicontinental seas, and continental settings (lakes, aeolinites, and arid climate silcretes). The data table contains percent of size fraction and settling times.
DOI: 10.5281/zenodo.10127841
title: SST forcing files and Model Builds for "Inter-basin versus intra-basin sea surface temperature forcing of the Western North Pacific subtropical high's westward extensions"

description: This repository provides archives of the Community Earth System Model version 2.2.0 (CESM2.2.0) and case directories for the simulations used in the "Inter-basin versus intra-basin sea surface temperature forcing of the Western North Pacific subtropical high's westward extensions" manuscript. The repository includes:

The original sea surface temperature forcing files used in each experiment (SST_Forcing Files) 
The F2000CLIMO compset model builds forced for each experiment
DOI: 10.5281/zenodo.10138422
title: Dataset: Electromagnetic Properties of Indium Isotopes Elucidate the Doubly Magic Character of 100Sn

description: Dataset for the article "Electromagnetic Properties of Indium Isotopes Elucidate the Doubly Magic Character of 100Sn."
Preprint at arXiv.2310.15093.
DOI: 10.5063/f16q1vqp
title: AgEvidence US: Agro-environmental responses of conservation agricultural practices published from 1980 to 2020

description: AgEvidence US is a database of the multiple benefits and trade-offs associated with conservation agricultural practices in the United States Midwest. The purpose of these data are to provide organizations, policy makers, scientists, and other interested parties with all the available evidence related to the diversity and magnitude of agro-environmental impacts that occur following the implementation of conservation practices. The conservation practices we focused on include winter cover crops, conservation tillage, strategic nutrient management, early season pest management, and crop rotation in corn and soybean systems. Data were extracted from peer-reviewed literature published between 1980 and 2020 with experimental field sites located in at least one of the following states: Illinois, Indiana, Iowa, Kansas, Michigan, Minnesota, Missouri, North Dakota, Nebraska, Ohio, South Dakota, and Wisconsin. Our dataset includes all response variables reported in each paper where there are isolated comparisons of a conservation practice (e.g. soil nitrate content following winter fallow and following winter cover crop). With this approach, we were able to capture the state-of-knowledge for a wide diversity of response variables and identify where we lack knowledge.