cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2gw2fw
title: CCDC 2290138: Experimental Crystal Structure Determination

description: Related Article: Sergei S. Grishin, Olga M. Mulina, Vera A. Vil’, Alexander O. Terent'ev|2023|Org.Chem.Front.|11|327|doi:10.1039/D3QO01690K
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.cc2gwp68
title: CCDC 2290720: Experimental Crystal Structure Determination

description: Related Article: Matthew C. Scheepers, Andreas Lemmerer|2024|CrystEngComm|26|268|doi:10.1039/D3CE00846K
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.cc2gwp79
title: CCDC 2290721: Experimental Crystal Structure Determination

description: Related Article: Matthew C. Scheepers, Andreas Lemmerer|2024|CrystEngComm|26|268|doi:10.1039/D3CE00846K
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.cc2gwp8b
title: CCDC 2290722: Experimental Crystal Structure Determination

description: Related Article: Matthew C. Scheepers, Andreas Lemmerer|2024|CrystEngComm|26|268|doi:10.1039/D3CE00846K
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: 10.6084/m9.figshare.25009634
title: Beverage Consumption, Genetic Predisposition, and Risk of Cardiovascular Disease among Adults with Type 2 Diabetes-Supplementary materials.docx

description: This data is an Online Supplemental Material of my research published in the <i>Journal of Clinical Endocrinology & Metabolism</i>, entitled “Beverage Consumption, Genetic Predisposition, and Risk of Cardiovascular Disease among Adults with Type 2 Diabetes”.<br>
DOI: 10.5517/ccdc.csd.cc2gxy7l
title: CCDC 2291930: Experimental Crystal Structure Determination

description: Related Article: Justin S. Lamb, Futa Koyama, Noriyuki Suzuki, Yumiko Suzuki|2023|Org.Chem.Front.|11|277|doi:10.1039/D3QO01579C
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.cc2gxy8m
title: CCDC 2291931: Experimental Crystal Structure Determination

description: Related Article: Justin S. Lamb, Futa Koyama, Noriyuki Suzuki, Yumiko Suzuki|2023|Org.Chem.Front.|11|277|doi:10.1039/D3QO01579C
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.cc2gxy9n
title: CCDC 2291932: Experimental Crystal Structure Determination

description: Related Article: Justin S. Lamb, Futa Koyama, Noriyuki Suzuki, Yumiko Suzuki|2023|Org.Chem.Front.|11|277|doi:10.1039/D3QO01579C
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.cc2gxy5j
title: CCDC 2291928: Experimental Crystal Structure Determination

description: Related Article: Justin S. Lamb, Futa Koyama, Noriyuki Suzuki, Yumiko Suzuki|2023|Org.Chem.Front.|11|277|doi:10.1039/D3QO01579C
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.cc2gzv2d
title: CCDC 2293754: Experimental Crystal Structure Determination

description: Related Article: Jianjun Wang, Huiying Hong, Daguo Hu, Jieling Liu, Wei Liu, Yian Shi|2023|Org.Chem.Front.|11|484|doi:10.1039/D3QO01472J
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.cc2h0bf9
title: CCDC 2294230: Experimental Crystal Structure Determination

description: Related Article: Sheng-Yi Zhuang, Gang Wu, Jian-Da Sun, Jiangshan Zhang, Jiabin Xing, Yan Wu, Hui Wang, Zhan-Ting Li, Dan-Wei Zhang|2023|Org.Chem.Front.|11|414|doi:10.1039/D3QO01780J
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.cc2h0bgb
title: CCDC 2294231: Experimental Crystal Structure Determination

description: Related Article: Sheng-Yi Zhuang, Gang Wu, Jian-Da Sun, Jiangshan Zhang, Jiabin Xing, Yan Wu, Hui Wang, Zhan-Ting Li, Dan-Wei Zhang|2023|Org.Chem.Front.|11|414|doi:10.1039/D3QO01780J
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.cc2h0bhc
title: CCDC 2294232: Experimental Crystal Structure Determination

description: Related Article: Sheng-Yi Zhuang, Gang Wu, Jian-Da Sun, Jiangshan Zhang, Jiabin Xing, Yan Wu, Hui Wang, Zhan-Ting Li, Dan-Wei Zhang|2023|Org.Chem.Front.|11|414|doi:10.1039/D3QO01780J
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: 10.21948/2204673
title: PV Module Operating Temperature - Data and Resources

description: The Photovoltaic Systems Evaluation Laboratory (PSEL) at Sandia National Laboratories (SNL) in Albuquerque, NM has an extensive test site where PV modules and other system components are deployed and monitored for testing and evaluation. For this dataset PV Performance Labs has assembled one year of measurements from the Systems Long-Term Evaluation (SLTE) project (formerly known as PV Lifetime) providing the main variables needed to investigate and validate PV module operating temperature models: irradiance, ambient temperature, wind speed and back-of-module temperature. For use with more advanced thermal modeling, an estimate of down-welling long-wave radiation is also included.
DOI: 10.21948/2204674
title: Global horizontal spectral irradiance in Albuquerque - Data and Resources

description: The Photovoltaic Systems Evaluation Laboratory (PSEL) at Sandia National Laboratories (SNL) in Albuquerque, NM has measured global horizontal spectral irradiance nearly continuously from September 2019 to March 2022. During this time other broadband irradiance measurements (global horizontal, direct normal, diffuse horizontal and global normal) and weather variables were also recorded. For this dataset PV Performance Labs (PVPL) has pulled together data from both sources to assemble a calendar year spectral data set for use in photovoltaic research. It is composed of twelve segments of 15 days each, beginning with January 1-15 and ending with December 1-15. The segments are all taken from the two-year period October 2019 to September 2021.
DOI: 10.5281/zenodo.10516276
title: Unraveling the Ligand-binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes

description: This directory contains files for the project:

Unraveling the Ligand-binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes

 

All the input files (topologies, parameters, and initial configurations) required to reproduce the results and the output trajectory files are available here. Snapshots were taken at 1 ns intervals from the last 100 ns trajectory from MixMD, as well as the entire 200 ns trajectory from cMD.
DOI: 10.5281/zenodo.10516277
title: Unraveling the Ligand-binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes

description: This directory contains files for the project:

Unraveling the Ligand-binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes

 

All the input files (topologies, parameters, and initial configurations) required to reproduce the results and the output trajectory files are available here. Snapshots were taken at 1 ns intervals from the last 100 ns trajectory from MixMD, as well as the entire 200 ns trajectory from cMD.
DOI: 10.21948/2204676
title: Global normal spectral irradiance in Albuquerque - Data and Resources

description: The Photovoltaic Systems Evaluation Laboratory (PSEL) at Sandia National Laboratories (SNL) in Albuquerque, NM has measured global normal spectral irradiance nearly continuously from August 2013 to April 2018. During this time other broadband irradiance measurements (global horizontal, direct normal, diffuse horizontal and global normal) and weather variables were also recorded. For this dataset PV Performance Labs (PVPL) has pulled together data from both sources to assemble a full calendar year spectral data set for use in photovoltaic research. It is composed of eight continuous segments of different durations taken from the two-year period September 2013 to August 2015.
DOI: 10.21948/2204677
title: PV module spectral response measurements - Data and Resources

description: "This dataset includes spectral response curves for 12 commercial silicon module types that are deployed at SNL in Albuquerque. The modules chosen for evaluation were originally purchased by SNL for the PV Lifetime project (renamed to Systems Long-Term Evaluation [SLTE]). The majority of those modules are deployed outdoors for long-term evaluation, but several modules of each type were placed in storage for future comparison purposes. One stored module of each type was sent to NREL for the spectral response measurements.

NREL used the recently developed Module Quantum Efficiency (QE) test bed. What makes this system unique is that it scans the entire module automatically, taking one or more measurements on each cell. Using the mean of these measurements at each wavelength leads to improvements in spectral mismatch correction and module power measurements but having the individual measurements also makes it possible to identify outlier cells, which could be useful for investigating underperforming modules. All measurements were performed nominally at 25°C"
DOI: 10.11578/frib/2279152
title: Discovery of Nuclides Project

description: The Discovery of Nuclides project compiles detailed discovery information for all naturally occurring and artificially produced nuclides. The short abstracts for each nuclide include the authors, institution, country, year, method of discovery, and reference. The database contains over 3300 nuclides and is continuously updated as new nuclides are discovered. The work is performed at the Facility for Rare Isotope Beams (FRIB) and is supported by the U.S. Department of Energy, Office of Nuclear Physics under Grant No. DE-SC0016948 and Michigan State University. The FRIB Nuclear Data group is responsible for coordinating and updating the database.
DOI: 10.6084/m9.figshare.25009685.v1
title: Data for the manuscript "Oviposition strategies amphibians in ephemeral streams: a multi-species perspective"

description: Many amphibians are selective about where to lay eggs, as this greatly affects their offpsring’s survival. Theoretically, species sharing the same habitat are expected to experience similar selective pressures, leading to the prediction that they might share similar oviposition preferences. However, this hypothesis has not yet been tested. In this study, through an extensive field survey, we examined the oviposition site selection of four amphibian species (<i>Rana uenoi</i>, <i>Hynobius quelpaertensis</i>, <i>Bombina orientalis</i>, and <i>Dryophytes japonicus</i>) that reproduce in the same natural ephemeral stream. Our focus was on understanding how various abiotic and biotic factors influence their reproductive choices. We primarily found that drought avoidance is a universal selective pressure affecting all species, with a tendency to avoid laying eggs in smaller pools prone to drought. Species-specific responses to leaf litter and canopy coverage were observed, but none of the species' oviposition choices correlated with the quantity of stones in pools. The study also explored biotic influences, revealing species-specific trends in the selection of pools with conspecific and heterospecific juveniles, predators, and mosquito larvae, indicating a complex ecological interplay. These findings highlight the complexity of amphibian reproductive strategies, where decisions are not driven solely by a single factor such as the avoidance of predators or competitors but also by intricate assessments of multiple factors. The study highlights that amphibian oviposition in ephemeral streams is influenced by a diverse interplay of biotic and abiotic factors, essential for understanding their reproductive strategies in dynamic environments.
DOI: 10.5281/zenodo.10521046
title: Dataset for the manuscript "Characterizing the modulation and activation-triggering mechanisms of main-belt comets via 3D thermophysical modeling of an ellipsoidal body"

description: This repository includes all the data used to make the figures and the MATLAB script for generating the figures associated with the manuscript titled "Characterizing the modulation and activation-triggering mechanisms of main-belt comets via 3D thermophysical modeling of an ellipsoidal body".
DOI: 10.25451/flinders.25009694.v1
title: diamond_v1

description: <b><i>Diamond version 1 databases for use with </i></b><b><i>SUPER-FOCUS</i></b>Please check your diamond version with <code>diamond --version</code> and then read the diamond documentation to know which version to download. You can also find out the database version you have installed with <code>diamond dbinfo</code>.<br>
DOI: 10.57841/casdc.0003347
title: 蛋白质-药物分子体系结构数据集
DOI: 10.6084/m9.figshare.24972558
title: Liquid Chromatography-Mass Spectrometry analysis of raw (RGT) and dehydrated (DGT) stingless bee honey from <i>Geniotrigona thoracica </i>(<i>G.thoracica</i>) species.xlsx

description: Liquid Chromatography-Mass Spectrometry analysis was conducted on raw (RGT) and dehydrated (DGT) stingless bee honey from Geniotrigona thoracica (G.thoracica) species by Advanced Chemistry Solutions Company (Petaling Jaya, Selangor, Malaysia) using an ultra-high performance liquid chromatography (UHPLC) machine, ACQUITY UPLC I-Class system (Waters, USA) and Vion IMS QTOF hybrid mass spectrometer (Waters, USA).
DOI: 10.6084/m9.figshare.24972558.v1
title: Liquid Chromatography-Mass Spectrometry analysis of raw (RGT) and dehydrated (DGT) stingless bee honey from <i>Geniotrigona thoracica </i>(<i>G.thoracica</i>) species.xlsx

description: Liquid Chromatography-Mass Spectrometry analysis was conducted on raw (RGT) and dehydrated (DGT) stingless bee honey from Geniotrigona thoracica (G.thoracica) species by Advanced Chemistry Solutions Company (Petaling Jaya, Selangor, Malaysia) using an ultra-high performance liquid chromatography (UHPLC) machine, ACQUITY UPLC I-Class system (Waters, USA) and Vion IMS QTOF hybrid mass spectrometer (Waters, USA).
DOI: 10.6084/m9.figshare.25009775
title: IP-MS results

description: IP-MS
DOI: 10.6084/m9.figshare.25009775.v1
title: IP-MS results

description: IP-MS
DOI: 10.17608/k6.auckland.24970809
title: HVN Kiwi, Fruity and Friendly 2 Metadata Record - Metabolic effects of consuming carbonated water or kiwifruit on a daily basis over seven-weeks

description: This metadata record and it's attached files make statements about the kinds of data collected as part of this research, and set out policies for governance of that data, now and in the future.<b>Description: </b>Kiwifruit preloads to breakfast have been found to acutely modify the postprandial blood glucose response compared with a non-preload condition. The aim of this project was to test whether there is a longer-term effect of kiwifruit preload on metabolic markers over 7-weeks. The intervention group consumes 2 kiwifruit and a 500mL bottle of carbonated water 30 min prior to the remainder of breakfast whilst the control group consumed carbonated water in the 30min prior to breakfast. Main outcomes were differences in fasting plasma glucose and insulin between groups adjusted for baseline. Secondary outcomes were differences in fasting lipids and uric acid between groups adjusted for baseline. No adverse metabolic reactions were observed, suggesting that daily consumption of two kiwifruit over a moderately extended period is metabolically safe.
DOI: 10.26179/jj37-tc64
title: Scanned data logs, ship logs and reports from the ADBEX III voyage of the Nella Dan, October to December, 1985
DOI: 10.5281/zenodo.10521059
title: Bin3 raw, denoised, and semantically segmented tomograms

description: This Zenodo upload includes four .tar.gz files

tomos.tar.gz contains the reconstructed tomograms at bin3. The contrast is inverted so signal shows up as white

denoised.tar.gz contains the denoised tomograms at bin3.

semSeg_actin_channel_binarized.tar.gz contains the semantic segmentation map indicating where in the tomogram the actin filaments are.

semSeg_fascin_channel_binarized.tar.gz contains the semantic segmentation map indicating where in the tomogram the fascin crossbridges are. The semantic segmentation maps were binarized at a threshold of 0.95 because they were exceeded the zenodo limit before binarization even with compression.

These .tar.gz files are compressed archives of the data, which may be decompressed using:

gunzip file.tar.gz

tar -xvf file.tar.gz

 

The decompressed .mrc volumes can be viewed using programs like 3dmod or UCSF chimera. If using chimera, a useful command to view the denoised and semantically segmented maps is: 

volume #* style surface level 0.15 step 3 region all

 To view finer details, the step size can be adjusted to 1.
DOI: 10.5281/zenodo.10521060
title: Bin3 raw, denoised, and semantically segmented tomograms

description: This Zenodo upload includes four .tar.gz files

tomos.tar.gz contains the reconstructed tomograms at bin3. The contrast is inverted so signal shows up as white

denoised.tar.gz contains the denoised tomograms at bin3.

semSeg_actin_channel_binarized.tar.gz contains the semantic segmentation map indicating where in the tomogram the actin filaments are.

semSeg_fascin_channel_binarized.tar.gz contains the semantic segmentation map indicating where in the tomogram the fascin crossbridges are. The semantic segmentation maps were binarized at a threshold of 0.95 because they were exceeded the zenodo limit before binarization even with compression.

These .tar.gz files are compressed archives of the data, which may be decompressed using:

gunzip file.tar.gz

tar -xvf file.tar.gz

 

The decompressed .mrc volumes can be viewed using programs like 3dmod or UCSF chimera. If using chimera, a useful command to view the denoised and semantically segmented maps is: 

volume #* style surface level 0.15 step 3 region all

 To view finer details, the step size can be adjusted to 1.
DOI: 10.5517/ccdc.csd.cc2h0bkf
title: CCDC 2294234: Experimental Crystal Structure Determination

description: Related Article: Sheng-Yi Zhuang, Gang Wu, Jian-Da Sun, Jiangshan Zhang, Jiabin Xing, Yan Wu, Hui Wang, Zhan-Ting Li, Dan-Wei Zhang|2023|Org.Chem.Front.|11|414|doi:10.1039/D3QO01780J
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.cc2h0blg
title: CCDC 2294235: Experimental Crystal Structure Determination

description: Related Article: Sheng-Yi Zhuang, Gang Wu, Jian-Da Sun, Jiangshan Zhang, Jiabin Xing, Yan Wu, Hui Wang, Zhan-Ting Li, Dan-Wei Zhang|2023|Org.Chem.Front.|11|414|doi:10.1039/D3QO01780J
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.cc2h0bmh
title: CCDC 2294236: Experimental Crystal Structure Determination

description: Related Article: Sheng-Yi Zhuang, Gang Wu, Jian-Da Sun, Jiangshan Zhang, Jiabin Xing, Yan Wu, Hui Wang, Zhan-Ting Li, Dan-Wei Zhang|2023|Org.Chem.Front.|11|414|doi:10.1039/D3QO01780J
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.cc2h0q3c
title: CCDC 2294592: Experimental Crystal Structure Determination

description: Related Article: Shaoying Ju, Chi Zhang, Beili Tang, Liu Leo Liu, Douglas W. Stephan, Yile Wu|2024|Chem.Commun.|60|698|doi:10.1039/D3CC05440C
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.