cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc29ccy0
title: CCDC 2126102: Experimental Crystal Structure Determination

description: Related Article: Natalie Eichstaedt, Kasper P. van der Zwan, Lina Mayr, Renée Siegel, Jürgen Senker, Josef Breu|2022|Z.Naturforsch.,B:Chem.Sci.|77|197|doi:10.1515/znb-2021-0177
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.cc29ccz1
title: CCDC 2126103: Experimental Crystal Structure Determination

description: Related Article: Natalie Eichstaedt, Kasper P. van der Zwan, Lina Mayr, Renée Siegel, Jürgen Senker, Josef Breu|2022|Z.Naturforsch.,B:Chem.Sci.|77|197|doi:10.1515/znb-2021-0177
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.cc29df5b
title: CCDC 2127101: Experimental Crystal Structure Determination

description: Related Article: Irene Ling, Cameron L. Campbell, Alexandre N. Sobolev, Scott J. Dalgarno|2022|CrystEngComm|24|4201|doi:10.1039/D2CE00459C
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.cc29df6c
title: CCDC 2127102: Experimental Crystal Structure Determination

description: Related Article: Irene Ling, Cameron L. Campbell, Alexandre N. Sobolev, Scott J. Dalgarno|2022|CrystEngComm|24|4201|doi:10.1039/D2CE00459C
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.cc29df8f
title: CCDC 2127104: Experimental Crystal Structure Determination

description: Related Article: Irene Ling, Cameron L. Campbell, Alexandre N. Sobolev, Scott J. Dalgarno|2022|CrystEngComm|24|4201|doi:10.1039/D2CE00459C
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.cc29frm4
title: CCDC 2128386: Experimental Crystal Structure Determination

description: Related Article: Shuang Tang, Yue Gao, Shengwei Han, Jie Chi, Zhong Zhang, Guocheng Liu|2022|Polyhedron|223|115944|doi:10.1016/j.poly.2022.115944
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.cc29jtd2
title: CCDC 2131324: Experimental Crystal Structure Determination

description: Related Article: Hiroaki Hagiwara, Souta Konomura|2022|CrystEngComm|24|4224|doi:10.1039/D2CE00501H
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.cc29jtf3
title: CCDC 2131325: Experimental Crystal Structure Determination

description: Related Article: Hiroaki Hagiwara, Souta Konomura|2022|CrystEngComm|24|4224|doi:10.1039/D2CE00501H
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: 10.6069/kehx-qa53
title: Uncovering Xenobiotics in the Dark Metabolome using Ion Mobility Spectrometry, Mass Defect Analysis and Machine Learning

description: The identification of xenobiotics in nontargeted metabolomic analyses is a vital step in understanding human exposure. Xenobiotic metabolism, excretion, and co-existence with other endogenous molecules however greatly complicate nontargeted studies. While mass spectrometry (MS)-based platforms are commonly used in metabolomic measurements, deconvoluting endogenous metabolites and xenobiotics is often challenged by the lack of xenobiotic parent and metabolite standards as well as the numerous isomers possible for each small molecule m/z feature. Here, we evaluate the use of ion mobility spectrometry coupled with MS (IMS-MS) and mass defect filtering in a xenobiotic structural annotation workflow to reduce large metabolomic feature lists and uncover potential xenobiotic classes and species detected in the metabolomic studies. To evaluate the workflow, xenobiotics having known high toxicities including per- and polyfluoroalkyl substances (PFAS), polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) were examined. Initially, to address the lack of available IMS collision cross section (CCS) values for per- and polyfluoroalkyl substances (PFAS), 88 PFAS standards were evaluated with IMS-MS to both develop a targeted PFAS CCS library and for use in machine learning predictions. The CCS values for biomolecules and xenobiotics were then plotted versus m/z, clearly distinguishing the biomolecules and halogenated xenobiotics. The xenobiotic structural annotation workflow was then used to annotate potential PFAS features in NIST human serum. The workflow reduced the 2,423 detected LC-IMS-MS features to 80 possible PFAS with 17 confidently identified through targeted analyses and 48 additional features correlating with possible CompTox entries.
DOI: 10.6084/m9.figshare.12389768
title: Data from: A multi-scale assessment of habitat disturbance on forest animal abundance in South American temperate rainforests

description: Original data from: Rodríguez-Gómez, G.B. et al. (2022) A multi-scale assessment of habitat disturbance on forest animal abundance in South American temperate rainforests. Forest Ecology and Management. https://doi.org/10.1016/j.foreco.2022.120360 <br> Please refer to the readme.txt file for further details on the data files included.
DOI: 10.6084/m9.figshare.20060891
title: Shorter Muscle Fascicle Operating Lengths Increase the Metabolic Cost of Cyclic Force Production

description: Participant data from the following manuscript: Shorter Muscle Fascicle Operating Lengths Increase the Metabolic Cost of Cyclic Force Production
DOI: 10.6084/m9.figshare.20060891.v1
title: Shorter Muscle Fascicle Operating Lengths Increase the Metabolic Cost of Cyclic Force Production

description: Participant data from the following manuscript: Shorter Muscle Fascicle Operating Lengths Increase the Metabolic Cost of Cyclic Force Production
DOI: 10.5281/zenodo.6638939
title: Shear modulus of the neck muscles of 20 women with and 18 women without chronic neck pain

description: These data are measurements of neck muscle stiffness captured with shear wave elastography. The methods of data capture are described here: Dieterich, A.V.; Yavuz, U.S.; Petzke, F.; Nordez, A.; Falla, D. Neck muscle stiffness measured with shear wave elastography in women with chronic nonspecific neck pain. J. Orthop. Sports Phys. Ther. 2020, 50, 179-188. doi:10.2519/jospt.2020.8821 Participants of group 0 are women with chronic neck pain (n=20). Participants of group 1 are women without spinal pain (control group, n=18). The task codes are 61 prone headlift 71 balance 1 kg 5 office stress 20 relaxed sitting 21 NeckExtension12N 22 NeckExtension24N 23 NeckExtension36N 24 NeckExtension48N 30 NeckRotation. Each result is the average from three task repetitions. Neck muscle stiffness over the trapezius, splenius capitis, semispinalis capitis, semispinalis cervicis, and multifidus muscles is reported in shear wave velocity and shear modulus. Columns F-I are the normalized shear modulus. Normalization has been performed using one of the tasks as a reference.
description: This dataset belongs to a short report on data processing: normalization of the neck muscle shear modulus
DOI: 10.5281/zenodo.6638938
title: Shear modulus of the neck muscles of 20 women with and 18 women without chronic neck pain

description: These data are measurements of neck muscle stiffness captured with shear wave elastography. The methods of data capture are described here: Dieterich, A.V.; Yavuz, U.S.; Petzke, F.; Nordez, A.; Falla, D. Neck muscle stiffness measured with shear wave elastography in women with chronic nonspecific neck pain. J. Orthop. Sports Phys. Ther. 2020, 50, 179-188. doi:10.2519/jospt.2020.8821 Participants of group 0 are women with chronic neck pain (n=20). Participants of group 1 are women without spinal pain (control group, n=18). The task codes are 61 prone headlift 71 balance 1 kg 5 office stress 20 relaxed sitting 21 NeckExtension12N 22 NeckExtension24N 23 NeckExtension36N 24 NeckExtension48N 30 NeckRotation. Each result is the average from three task repetitions. Neck muscle stiffness over the trapezius, splenius capitis, semispinalis capitis, semispinalis cervicis, and multifidus muscles is reported in shear wave velocity and shear modulus. Columns F-I are the normalized shear modulus. Normalization has been performed using one of the tasks as a reference.
description: This dataset belongs to a short report on data processing: normalization of the neck muscle shear modulus
DOI: 10.5281/zenodo.6638876
title: DB Zenodo CTC Adults

description: DB Zenodo CTC Adults
DOI: 10.5281/zenodo.6638875
title: DB Zenodo CTC Adults

description: DB Zenodo CTC Adults
DOI: 10.25934/pr00007402.1
title: Available IPD datapackage for study 'A Phase I/III, Randomized, Double-Blind, Placebo-Controlled Study of Carboplatin Plus Etoposide With or Without Atezolizumab (Anti-PD-L1 Antibody) in Patients With Untreated Extensive-Stage Small Cell Lung Cancer'

description: This randomized, Phase I/III, multicenter, double-blinded, placebo-controlled study was designed to evaluate the safety and efficacy of atezolizumab (anti-programmed death-ligand 1 [PD-L1] antibody) in combination with carboplatin plus (+) etoposide compared with treatment with placebo + carboplatin + etoposide in chemotherapy-naive participants with ES-SCLC. Participants will be randomized in a 1:1 ratio to receive either atezolizumab + carboplatin + etoposide or placebo + carboplatin + etoposide on 21-day cycles for four cycles in the induction phase followed by maintenance with atezolizumab or placebo until progressive disease (PD) as assessed by the investigator using Response Evaluation Criteria in Solid Tumors Version 1.1 (RECIST v1.1). Treatment can be continued until persistent radiographic PD or symptomatic deterioration.
DOI: 10.5281/zenodo.6631996
title: Data for "Physically Based Deep Learning Framework to Model Intense Precipitation Events at Engineering Scales"

description: The dataset consists of high resolution (250 m) and low resolution (0.025 degree) climate model outputs in netCDF format. Each file contains data for one variable and one month. Low resolution files follow the naming scheme: montrealC_0025deg_200x200_ERA5_1m_YYYYMM_VAR.nc High resolution files follow the naming scheme: montrealC_250m_324x324_ERA5_TEB_100_noconv_YYYYMM_VAR.nc YYYYMM stands for the year (first 4 digits) and month (last 2 digits). _VAR indicates the variable contained in the file: _UU700 stands for the east-west component of wind at a pressure level of 700 hPa (hourly frequency) _VV700 stands for the north-south component of wind at a pressure level of 700 hPa (hourly frequency) When _VAR is omitted, the variable is precipitation at 1-minute temporal resolution
DOI: 10.5281/zenodo.6631995
title: Data for "Physically Based Deep Learning Framework to Model Intense Precipitation Events at Engineering Scales"

description: The dataset consists of high resolution (250 m) and low resolution (0.025 degree) climate model outputs in netCDF format. Each file contains data for one variable and one month. Low resolution files follow the naming scheme: montrealC_0025deg_200x200_ERA5_1m_YYYYMM_VAR.nc High resolution files follow the naming scheme: montrealC_250m_324x324_ERA5_TEB_100_noconv_YYYYMM_VAR.nc YYYYMM stands for the year (first 4 digits) and month (last 2 digits). _VAR indicates the variable contained in the file: _UU700 stands for the east-west component of wind at a pressure level of 700 hPa (hourly frequency) _VV700 stands for the north-south component of wind at a pressure level of 700 hPa (hourly frequency) When _VAR is omitted, the variable is precipitation at 1-minute temporal resolution
DOI: 10.5281/zenodo.6628888
title: Upscaling tracer-aided ecohydrological EcH2O-iso model in larger catchments: model setup and model simulations in the Selke catchment, central Germany

description: This data repository is associated with the scientific article "Upscaling Tracer-aided Ecohydrological Modeling to Larger Catchments: Implications for Process Representation and Heterogeneity in Landscape Organization" by Yang et al. (submitted to Water Resources Research). This dataset includes the model setup information of the EcH2O-iso model in the Selke catchment, central Germany (./model_setup_Selke), and all model simulations and data analyses that are necessary to rebuilt the work (./model_sim_data). Please also refer to https://github.com/XYang-EcoHydroWQ/EcH2O-iso_largescale for corresponding model source code of the EcH2O-iso model, including modifications for larger-scale modeling.
DOI: 10.6073/pasta/73e3a958c9d7b1eeaf55fa41b4815b6d
title: Microbial Sampling from Shark River Slough and Taylor Slough, Everglades National Park, South Florida (FCE LTER) from January 2001 to Present

description: We collected monthly observations of water microbial characteristics from each of the FCE LTER sites beginning in February 2001. Bacteria counts using DAPI epifluorescence, heterotrophic bacteria production with tritiated Thymidine uptake, and algal energetics and chl a using the PAM fluorometer were determined from each of the water samples. Bacteria counts in Shark River Slough in the freshwater end of the transect revealed highest bacteria numbers upon marsh rewetting after the dry down. The highest overall count of bacteria was found at the most freshwater point adjacent to the perimeter of the water conservation area but only in March of 2001. Peak numbers of bacteria in the saline end of Shark River transect occurred in December and July. There is some evidence that these higher bacteria numbers in the SR transect are associated with higher salinities. Highest bacteria counts along the Taylor slough transect were observed at the mouth of the Taylor River with peak counts in the wet season in October. Bacteria densities also increased from the eastern to western end of the transect in Florida Bay. Heterotrophic bacterial production did not relate closely bacteria numbers and exhibited highest numbers in the dry season. There was no discernible relationship between salinity and bacteria production as seen in bacteria numbers. Monthly observations using PAM fluorometry revealed that brown algae was the greatest contribution to the algal chal a pool and this relationship was consistent across all FCE LTER sites. Converse to the pattern of bacteria abundance along the Shark River transect, there was evidence that algal biomass decreases from freshwater to estuary. In the Shark River, algal energetics increased from marsh to estuary as well as in the panhandle region of the Taylor River transect. From these observations we conclude the behavior of the microbial loop and interactions generated between functional guilds is highly variable along individual transects and between the Shark River and Taylor River transect. Wet dry season dynamics partially explain temporal variability in microbial dynamics along the individual transects yet responses were unique for each section of the transect as freshwater versus estuarine versus Bay. Relationships between salinity and microbial parameters in this case, were not easily discerned but were more consistent within the two river transects than between river transects.
DOI: 10.6073/pasta/a9e128532f5d03e23a83c3c2005abae2
title: Heterotrophic bacterial production using 3H-Leucine incorporation from discrete bottle samples from CCE process cruises in the California Current System, 2007 - 2017 (ongoing).

description: Seawater samples were taken from 6 depths from each mid-day CTD cast to estimate rates of bacterial protein synthesis using the 3H-Leucine incorporation method. Bacterial protein synthesis was converted to bacterial production estimates. These samples are used to further understanding of secondary production and sinks for primary production that can be used to monitor chages at the base of the food web over time.
DOI: 10.6073/pasta/308b10a7626734082e9d3e43195b8853
title: Bacterial Production Data for lake and stream samples collected in summer 2012 through 2018, Arctic LTER, Toolik Lake Field Station, Alaska

description: File containing data on bacterial productivity in lakes and streams collected in summer 2012 through 2018. Samples were collected at various sites near Toolik Lake Field Station (68 38'N, 149 36'W). Sample site descriptors include an assigned number (sortchem), site, date, time and depth, and bacterial production.
DOI: 10.6073/pasta/32683b1152c89e8eb8879639146b34fe
title: Bacterial properties in discrete water column samples at selected depths, collected aboard Palmer LTER annual cruises off the coast of the Western Antarctica Peninsula, 2003 - 2019.

description: The microbial biogeochemistry component of PAL focuses on marine bacterioplankton, and is thus a counterpart to the phytoplankton and zooplankton components, which together provide a detailed and comprehensive description of plankton ecology in PAL-LTER. Bacteria and Archaea (hereafter called "bacteria") are taxonomically and metabolically diverse. In coastal and offshore surface waters Bacteria generally predominate over Archaea, but Archaea are equal or greater in abundance in the mesopelagic layer below the euphoric zone. We focus on aerobic, heterotrophic bacteria in the upper 100 m on the annual summer cruise. These bacteria oxidize recently-produced low molecular weight dissolved organic compounds released by phytoplankton and zooplankton, decomposing them back into CO2 and inorganic nutrients. Globally, marine bacteria respire an amount of carbon roughly equal to about half the daily photosynthetic production. In cold polar waters, relative bacterial activity is lower, with bacterial biomass production being equal to &lt;5% of the daily photosynthesis. The ratio at lower latitudes is 10-20%. The factors responsible for this contrast are not entirely clear. Resolving this pattern is a key aim of the PAL microbial component. Bacterial production is generally low across the grid, relative to primary production, but with considerable spatial and annual variability. Discrete BP can reach &gt;200mgC/m2/d following bloom-fueled high organic matter events. Across the grid and over years, BP is highly correlated with chlorophyll, highlighting the close relationship with phytoplanktonic organic matter production.
DOI: 10.6073/pasta/56a7c2c88e4e20dc8c2b0100c3de9a1d
title: Subsurface Water Temperatures taken in Shark River Slough and Taylor Slough, Everglades National Park, South Florida (FCE) from May 2010 to Present

description: At each site, two vertical columns of temperature sensors (107-L Temperature Probes, Campbell Scientific, Logan, Utah) were installed and connected to data loggers (CR1000 Dataloggers, Campbell Scientific, Logan, Utah). At each, one temperature sensor in a heat shield was installed 2 m above the ground surface. The remaining temperature sensors were installed at or below the ground surface, with the depths and depth intervals depending upon the total depth of the column. The data were collected hourly between May 19, 2010 and December 1, 2015.
DOI: 10.6084/m9.figshare.19739263
title: pasmo_dataset.csv

description: A dataset of mobility patterns of a coastal area in Aveiro region, Portugal, fully covered with traffic classification radars, over a two-year period. The sensing infrastructure was deployed in the scope of the PASMO project, an open living lab for cooperative ITS and smart regions. The data gathered by three traffic classification radars includes the speed of the detected objects, their position, and their type (heavy vehicle, light vehicle, two-wheeler, and pedestrian).
DOI: 10.6084/m9.figshare.19739263.v1
title: pasmo_dataset.csv

description: A dataset of mobility patterns of a coastal area in Aveiro region, Portugal, fully covered with traffic classification radars, over a two-year period. The sensing infrastructure was deployed in the scope of the PASMO project, an open living lab for cooperative ITS and smart regions. The data gathered by three traffic classification radars includes the speed of the detected objects, their position, and their type (heavy vehicle, light vehicle, two-wheeler, and pedestrian).
DOI: 10.7303/syn29421835.3
title: AD_Portal_Example_Dataset
DOI: 10.48544/9be26497-ac8b-4ea6-9bb5-25fb85f6ef76
title: Template for Case-Based Exercises
DOI: 10.6073/pasta/60138713ab3466e00b5bc3f7045144b7
title: Meteorological data from El Verde Field Station: NADP Tower

description: Meteorological sensors are located at the top of a 20 m tower, the NADP Tower, behind the main buildings of El Verde Field Station, 350 masl. No large trees are present near the tower. Sensors are connected to a Campbell 1000X data logger, with a storage module, and downloaded every two weeks using a wireless radio connection from the laboratory to the tower. Data are compiled at the station before it is made available. The station was initiated in 2000. Complementary manual measurements of rainfall and maximum and minimum air temperatures are taken on a daily basis at a separate physical location.
DOI: 10.6073/pasta/facc2b533a70e205c5af112482bc437f
title: Canopy opening increased leaf shredding arthropods and nutrient mineralization but not mass loss in a wet tropical forest