cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2dgr5t
title: CCDC 2218706: Experimental Crystal Structure Determination

description: Related Article: Qiu-Yan Jin, Yuan-Yuan Liang, Zhi-Hui Zhang, Liao Meng, Jun-Shan Geng, Kong-Qiu Hu, Ji-Pan Yu, Zhi-Fang Chai, Lei Mei, Wei-Qun Shi|2023|Chemical Science|14|6330|doi:10.1039/D3SC01343J
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.cc2dgr6v
title: CCDC 2218707: Experimental Crystal Structure Determination

description: Related Article: Qiu-Yan Jin, Yuan-Yuan Liang, Zhi-Hui Zhang, Liao Meng, Jun-Shan Geng, Kong-Qiu Hu, Ji-Pan Yu, Zhi-Fang Chai, Lei Mei, Wei-Qun Shi|2023|Chemical Science|14|6330|doi:10.1039/D3SC01343J
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.cc2dgr7w
title: CCDC 2218708: Experimental Crystal Structure Determination

description: Related Article: Qiu-Yan Jin, Yuan-Yuan Liang, Zhi-Hui Zhang, Liao Meng, Jun-Shan Geng, Kong-Qiu Hu, Ji-Pan Yu, Zhi-Fang Chai, Lei Mei, Wei-Qun Shi|2023|Chemical Science|14|6330|doi:10.1039/D3SC01343J
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.cc2dgr8x
title: CCDC 2218709: Experimental Crystal Structure Determination

description: Related Article: Qiu-Yan Jin, Yuan-Yuan Liang, Zhi-Hui Zhang, Liao Meng, Jun-Shan Geng, Kong-Qiu Hu, Ji-Pan Yu, Zhi-Fang Chai, Lei Mei, Wei-Qun Shi|2023|Chemical Science|14|6330|doi:10.1039/D3SC01343J
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.cc2dgr9y
title: CCDC 2218710: Experimental Crystal Structure Determination

description: Related Article: Qiu-Yan Jin, Yuan-Yuan Liang, Zhi-Hui Zhang, Liao Meng, Jun-Shan Geng, Kong-Qiu Hu, Ji-Pan Yu, Zhi-Fang Chai, Lei Mei, Wei-Qun Shi|2023|Chemical Science|14|6330|doi:10.1039/D3SC01343J
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: 10.5281/zenodo.7916784
title: Organ Mapping Antibody Panel (OMAP) for Multiplexed Antibody-Based Imaging of Human Pancreas with CODEX

description: Representative dataset using OMAP-13: Organ Mapping Antibody Panel (OMAP) for Multiplexed Antibody-Based Imaging of Human Pancreas with CODEX, v1.0. See https://humanatlas.io/omap.
DOI: 10.5281/zenodo.7916783
title: Organ Mapping Antibody Panel (OMAP) for Multiplexed Antibody-Based Imaging of Human Pancreas with CODEX

description: Representative dataset using OMAP-13: Organ Mapping Antibody Panel (OMAP) for Multiplexed Antibody-Based Imaging of Human Pancreas with CODEX, v1.0. See https://humanatlas.io/omap.
DOI: 10.6084/m9.figshare.22787492.v1
title: Computational exploration of Williamson's method for ether (and epoxide) synthesis using

description: Inputs and outputs for all computations described in Pedro Silva (2023) "<strong>Why epoxides can be formed from halohydrins in spite of their elevated ring strain, and other unanswered questions on the explanation of relative reaction rates of inter- and intra-molecular Williamson’s ether syntheses</strong>" submitted to Chemistry Journal of Moldova
DOI: 10.5281/zenodo.8065777
title: rubia_balearica_spades_01.fasta.gz

description: .
DOI: 10.5281/zenodo.8065776
title: rubia_balearica_spades_01.fasta.gz

description: .
DOI: 10.6084/m9.figshare.5813877
title: Carbocupration of heterosubstituted alkynes

description: Complete Inputs and outputs for the computations described in: <br> Silva PJ (2022) The reaction mechanism of the Cu(I) catalyzed alkylation of hetero-substituted alkynes. <em>Catalysts</em>, 13:17
DOI: 10.6084/m9.figshare.5813877.v6
title: Carbocupration of heterosubstituted alkynes

description: Complete Inputs and outputs for the computations described in: <br> Silva PJ (2022) The reaction mechanism of the Cu(I) catalyzed alkylation of hetero-substituted alkynes. submitted
DOI: 10.6084/m9.figshare.5813877.v7
title: Carbocupration of heterosubstituted alkynes

description: Complete Inputs and outputs for the computations described in: <br> Silva PJ (2022) The reaction mechanism of the Cu(I) catalyzed alkylation of hetero-substituted alkynes. <em>Catalysts</em>, 13:17
DOI: 10.5066/p93jp0vq
title: Basin Characteristic Datasets for Wyoming StreamStats

description: This data release was produced by the U.S. Geological Survey (USGS) in cooperation with the Wyoming Water Development Office for the purpose of calculating basin characteristics in preparation for the Wyoming StreamStats application. The data are parameter grid representations of various environmental, geological, and land use attributes within the Wyoming StreamStats study area and will be served in the Wyoming StreamStats application to describe delineated watersheds. The StreamStats application provides access to spatial analytical tools that are useful for water-resources planning and management, and for engineering and design purposes. The map-based user interface can be used to delineate drainage areas, get basin characteristics and estimates of flow statistics.
DOI: 10.6084/m9.figshare.23214686
title: Molecular dynamics simulations of the binding stability of selected terpenes towards NS5B RNA polymerase from hepatitis C virus.

description: MD simulations examining the stability of terpene-protein complexes. These resutls ahve been published as " Tomasz M. Karpinski, Marcin Ozarowski, <strong>Pedro J. Silva</strong> , Mark Stasiewicz, Rahat Alam and Abdus Samad (2023) Discovery of terpenes as novel HCV NS5B polymerase inhibitors via molecular docking <em>Pathogens</em>, 12:842 " <br> <br> xxx.zip contains PDB files of every complex throughout the molecular dynamics simulations, taken at 2.5 ns intervals (simulation time). Filenames follow the format xxxx_nnn.pdb , where xxx is the ligand name and nnn is equal to simulation_time (in ns) divided by 0.25. <br> RMSD.zip contains the tables with the RMSD values of protein and ligand upon comparing each complex snapshot with: A) its initial structure (xxx_RMSD_vs_0.tab) B) its structure after 25 ns simulation time (xxx_RMSD_vs_100.tab) C) its structure after 75 ns simulation time (xxx_RMSD_vs_300.tab) D) its structure after 150 ns simulation time (xxx_RMSD_vs_600.tab) <br> <br>
DOI: 10.6084/m9.figshare.23214686.v3
title: Molecular dynamics simulations of the binding stability of selected terpenes towards NS5B RNA polymerase from hepatitis C virus.

description: MD simulations examining the stability of terpene-protein complexes. These resutls ahve been published as " Tomasz M. Karpinski, Marcin Ozarowski, <strong>Pedro J. Silva</strong> , Mark Stasiewicz, Rahat Alam and Abdus Samad (2023) Discovery of terpenes as novel HCV NS5B polymerase inhibitors via molecular docking <em>Pathogens</em>, 12:842 " <br> <br> xxx.zip contains PDB files of every complex throughout the molecular dynamics simulations, taken at 2.5 ns intervals (simulation time). Filenames follow the format xxxx_nnn.pdb , where xxx is the ligand name and nnn is equal to simulation_time (in ns) divided by 0.25. <br> RMSD.zip contains the tables with the RMSD values of protein and ligand upon comparing each complex snapshot with: A) its initial structure (xxx_RMSD_vs_0.tab) B) its structure after 25 ns simulation time (xxx_RMSD_vs_100.tab) C) its structure after 75 ns simulation time (xxx_RMSD_vs_300.tab) D) its structure after 150 ns simulation time (xxx_RMSD_vs_600.tab) <br> <br>
DOI: 10.6084/m9.figshare.23214686.v2
title: Molecular dynamics simulations of the binding stability of selected terpenes towards NS5B RNA polymerase from hepatitis C virus. These MD simulaitons are described in " Tomasz M. Karpinski, Marcin Ozarowski, <strong>Pedro J. Silva</strong> , Mark Stasiewicz, Rahat Alam and Abdus Samad (2023) Discovery of terpenes as novel HCV NS5B polymerase inhibitors via molecular docking <em>Pathogens</em>, 12:842 "

description: xxx.zip contains PDB files of every complex throughout the molecular dynamics simulations, taken at 2.5 ns intervals (simulation time). Filenames follow the format xxxx_nnn.pdb , where xxx is the ligand name and nnn is equal to simulation_time (in ns) divided by 0.25. <br> RMSD.zip contains the tables with the RMSD values of protein and ligand upon comparing each complex snapshot with: A) its initial structure (xxx_RMSD_vs_0.tab) B) its structure after 25 ns simulation time (xxx_RMSD_vs_100.tab) C) its structure after 75 ns simulation time (xxx_RMSD_vs_300.tab) D) its structure after 150 ns simulation time (xxx_RMSD_vs_600.tab) <br> <br>
DOI: 10.5255/ukda-sn-855314
title: Youth Economic Activity and Health Survey, 2021-2022

description: The Youth Economic Activity and Health (YEAH) Survey, 2021-2022 was a major data collection effort to track the well-being, learning, and expectations of 16-25-year-olds in the second phase of the COVID-19 pandemic after effective vaccines had started to roll out. In all, it collected 8,000 data points between February 2021 to November 2022 using web interviews in quota samples recruited from proprietary access panels managed by Ipsos MORI and partners. The survey’s main objectives were to deliver intelligence on: 1. Successful transitions 2. Future planning, optimism and expectations 3. Learning progression in education and the world of work 4. Career development activities, career support and career progress 5. Health, subjective well-being, and support networks The project and data collection were led by Dr Golo Henseke as the Principal investigator. He is the primary contact. Professor Francis Green and Professor Ingrid Schoon guided and co-designed the survey at all stages of development. The project team was affiliated with IOE, UCL's Faculty of Education and Society. The survey was carried out by Ipsos MORI UK. Funding for this research was provided by the Economic and Social Research Council, Grant No. ES/V01577X/1.
DOI: 10.6084/m9.figshare.23553420
title: Untitled Item

description: Data Analytics Project
DOI: 10.6084/m9.figshare.23553420.v1
title: Untitled Item

description: Data Analytics Project
DOI: 10.6084/m9.figshare.5481541.v7
title: DFT study of the reaction mechanism of the Das/Chechik/Marek synthesis of stereodefined quaternary carbon centers

description: Inputs, outputs, and orbitals accompanying the manuscript<br><br>Bernardo and Silva (2017) DFT study of the reaction mechanism of the Das/Chechik/Marek synthesis of stereodefined quaternary carbon centers (in preparation )<br>
DOI: 10.6084/m9.figshare.5481541
title: DFT study of the reaction mechanism of the Das/Chechik/Marek synthesis of stereodefined quaternary carbon centers

description: Inputs, outputs, and orbitals accompanying the manuscript<br> <br> Pedro J. Silva and Carlos E. P. Bernardo (2021) Unveiling the reaction mechanism of the Das/Chechik/Marek synthesis of stereodefined quaternary carbon centers. <em>Applied Sciences</em>, 11: 5002 <br>
DOI: 10.6084/m9.figshare.5481541.v8
title: DFT study of the reaction mechanism of the Das/Chechik/Marek synthesis of stereodefined quaternary carbon centers

description: Inputs, outputs, and orbitals accompanying the manuscript<br> <br> Pedro J. Silva and Carlos E. P. Bernardo (2021) Unveiling the reaction mechanism of the Das/Chechik/Marek synthesis of stereodefined quaternary carbon centers. <em>Applied Sciences</em>, 11: 5002 <br>
DOI: 10.5066/p9mcz44x
title: Fundamental Datasets for Wyoming StreamStats

description: This data release�was produced by the U.S. Geological Survey (USGS) in cooperation with the Wyoming Water Development Office for the purpose of delineating gage basins and performing hydrologic analysis in the Wyoming StreamStats application. These datasets are raster representations of the fundamental dataset layers necessary for the functionality of StreamStats application within the Wyoming StreamStats study area. The StreamStats application provides access to spatial analytical tools that are useful for water-resources planning and management, and for engineering and design purposes. The map-based user interface can be used to delineate drainage areas, get basin characteristics and estimates of flow statistics, and more. The datasets include a study area defined by all HUC08 watersheds flowing in or out of the state of Wyoming.
DOI: 10.5281/zenodo.7954367
title: Individual multilocus genotypes of F1 seed progeny and recruits from two translocated populations of Campanula glomerata

description: Individual multilocus genotypes for 15 microsatellite loci and spatial coordinates of F1 seed progeny and recruits from two translocated populations of <em>Campanula glomerata </em>from southern Belgium. For more information, see Van Rossum et al.(2023), Assessing spatial mating patterns in translocated populations of <em>Campanula glomerata, </em>in <em>Gobal Ecology and Conservation.</em>
description: {"references": ["F. Van Rossum, S. Le Pajolec, & C. God\u00e9. 2023. Assessing spatial mating patterns in translocated populations of Campanula glomerata. Global Ecology and Conservation, e02548. doi: 10.1016/j.gecco.2023.e02548"]}
DOI: 10.5281/zenodo.7954368
title: Individual multilocus genotypes of F1 seed progeny and recruits from two translocated populations of Campanula glomerata

description: Individual multilocus genotypes for 15 microsatellite loci and spatial coordinates of F1 seed progeny and recruits from two translocated populations of <em>Campanula glomerata </em>from southern Belgium. For more information, see Van Rossum et al.(2023), Assessing spatial mating patterns in translocated populations of <em>Campanula glomerata, </em>in <em>Gobal Ecology and Conservation.</em>
description: {"references": ["F. Van Rossum, S. Le Pajolec, & C. God\u00e9. 2023. Assessing spatial mating patterns in translocated populations of Campanula glomerata. Global Ecology and Conservation, e02548. doi: 10.1016/j.gecco.2023.e02548"]}
DOI: 10.34740/kaggle/dsv/5988833
title: Mahanagar Yatayat Dataset
DOI: 10.23728/b2share.5109b4ee67894844a419c20e6522dbbe
title: Supplementary Material for "What is the Minimum to Trust AI?—A Requirement Analysis for (Generative) AI-based Texts"

description: The generative Artificial Intelligence (genAI) innovation enables new potentials for end-users, affecting youth and the inexperienced. Nevertheless, as an innovative technology, genAI risks generating misinformation for end-users that is not recognizable as such. This results in increased trustworthiness of AI outputs. An assessing system for end-users is necessary to expose the unfounded reliance on erroneous responses. This paper identifies requirements for an as- sessing system to prevent end-users from overestimating trust in generated texts. Thus we conducted requirements engineering based on a literature review and two international surveys. With the surveys, we confirmed the requirements which enable human protection, human support, and content veracity in dealing with genAI. High detected trust is rooted in miscalibration; clarity about genAI and its provider is essential to solving this phenomenon, and we detected a demand for human verifications. Consequently, we provide evidence for the significance of future IS research on human-centered genAI trust solutions.
description: Tomitza, Christoph; Schaschek, Myriam; Straub, Lisa; Winkelmann, Axel: What is the Minimum to Trust AI? - A Requirement Analysis for (Generative) AI-based Texts In: 18th International Conference on Wirtschaftsinformatik (2023), bl under consideration for publication
DOI: 10.5281/zenodo.8064319
title: DCA and GNMDS output for 4640 subplots and 95 vascular plant species in four alpine grasslands

description: Ordination output from detrended correspondence analysis (DCA) and global non-metric multidimensional scaling (GNMDS). Analyses were performed in R with the <em>vegan</em> package (Oksanen 2022) for the entire data set of 4630 subplots and 95 species' occurrences ('global', indicated by global or missing site name in file names), and for each of four sites: Skjellingahaugen (skj), Gudmedalen (gud), Låvisdalen (lav), and Ulvehaugen (ulv). Access .Rds files with readRDS in R/RStudio. For GNMDS files, k indicates the chosen number of dimensions. See GitHub repository for scripts to produce and perform further analysis with the files in this archive. Analyses performed by EL with scripts based on originals by RH.
description: Related repository on GitHub: https://github.com/evalieungh/hmsc_incline. Community data to be published later, see data description manuscript in Gya (2022). Disentangling effects and context dependencies of climate change on alpine plants. University of Bergen, Bergen, Norway. https://hdl.handle.net/11250/3038854
DOI: 10.5281/zenodo.8064318
title: DCA and GNMDS output for 4640 subplots and 95 vascular plant species in four alpine grasslands

description: Ordination output from detrended correspondence analysis (DCA) and global non-metric multidimensional scaling (GNMDS). Analyses were performed in R with the <em>vegan</em> package (Oksanen 2022) for the entire data set of 4630 subplots and 95 species' occurrences ('global', indicated by global or missing site name in file names), and for each of four sites: Skjellingahaugen (skj), Gudmedalen (gud), Låvisdalen (lav), and Ulvehaugen (ulv). Access .Rds files with readRDS in R/RStudio. For GNMDS files, k indicates the chosen number of dimensions. See GitHub repository for scripts to produce and perform further analysis with the files in this archive. Analyses performed by EL with scripts based on originals by RH.
description: Related repository on GitHub: https://github.com/evalieungh/hmsc_incline. Community data to be published later, see data description manuscript in Gya (2022). Disentangling effects and context dependencies of climate change on alpine plants. University of Bergen, Bergen, Norway. https://hdl.handle.net/11250/3038854
DOI: 10.25810/5dxz-xm93.62
title: Latin American Newspaper Coverage of Climate Change or Global Warming, 2005-2023 - May 2023

description: The Media and Climate Change Observatory Data monitors 126 sources (across newspapers, radio and TV) in 58 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.35002/zppg-yr91
title: Canada’s Energy Future 2023: Energy Supply and Demand Projections to 2050
DOI: 10.6084/m9.figshare.23553381
title: Pancreas development preprocessed (VelocityKernel)

description: Preprocessed scRNA-seq dataset of pancreatic development at E15.5 in mice assayed using 10x genomics. Total cell number is 2531. Contains RNA velocity (La Manno et al., Nature 2018) computed using scVelo (Bergen et al., Nature Biotechnology 2020) using the dynamical model. <br> Genes have been filtered to contain at least 20 spliced and unspliced counts. Data has been total counts normalized and log-transformed, and the top 2000 highly variable genes have been annotated. Additionally, a cell-cell transition matrix has been computed using CellRank's VelocityKernel. <br> Please cite the original publication: https://doi.org/10.1242/dev.173849
DOI: 10.6084/m9.figshare.23553381.v1
title: Pancreas development preprocessed (VelocityKernel)

description: Preprocessed scRNA-seq dataset of pancreatic development at E15.5 in mice assayed using 10x genomics. Total cell number is 2531. Contains RNA velocity (La Manno et al., Nature 2018) computed using scVelo (Bergen et al., Nature Biotechnology 2020) using the dynamical model. <br> Genes have been filtered to contain at least 20 spliced and unspliced counts. Data has been total counts normalized and log-transformed, and the top 2000 highly variable genes have been annotated. Additionally, a cell-cell transition matrix has been computed using CellRank's VelocityKernel. <br> Please cite the original publication: https://doi.org/10.1242/dev.173849
DOI: 10.5281/zenodo.8065967
title: rubia_peregrina_spades_01.fasta.gz

description: .
DOI: 10.5281/zenodo.8065966
title: rubia_peregrina_spades_01.fasta.gz

description: .
DOI: 10.25810/fq7x-q521.42
title: Middle Eastern Newspaper Coverage of Climate Change or Global Warming, 2004-2023 - May 2023

description: The Media and Climate Change Observatory Data monitors 127 sources (across newspapers, radio and TV) in 59 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.25810/gyv-zg57.62
title: New Zealand Newspaper Coverage of Climate Change or Global Warming, 2000-2023 - May 2023

description: The Media and Climate Change Observatory Data monitors 127 sources (across newspapers, radio and TV) in 59 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.6084/m9.figshare.23553651
title: Dataset and R code for "Pump and sway: wild primates use compliant supports as a tool to augment leaping in the canopy"

description: The arboreal environment is constructed of complex, discontinuous supports. The shortest distances between trees typically lie between compliant terminal branches, making crossing difficult. Despite qualitative observations of wild primates pumping branches before leaping across gaps in the canopy, most studies have suggested that support compliance increases the energetic cost of arboreal leaping. In this study, we recorded wild colobine monkeys crossing gaps in the canopy, and quantitatively digitized the kinematics of both the monkey and the compliant support during behavioral sequences. We provide evidence that adult red colobus (<em>Piliocolobus tephrosceles</em>) use branch compliance to their advantage by actively pumping branches before leaping\, augmenting their vertical velocity at take-off. Additionally, we found that red colobus and black and white colobus monkeys (<em>Colobus guereza</em>) utilize tree swaying to cross large gaps, augmenting horizontal velocity at take-off and decreasing the distance between the launching support and the target. This deliberate branch manipulation to produce a mechanical effect for stronger propulsion fits into the framework of instrumental problem-solving. This is among the first studies of wild primates that show how compliant branches can be used advantageously to augment locomotor performance.