cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8172573
title: Candidate High-Resolution Mass Spectrometry-Based Reference Method for the Quantification of Procalcitonin in Human Serum Using a Characterized Recombinant Protein as a Primary Calibrator

description: Dataset related to Huu-Hien Huynh, Vincent Delatour, Maxence Derbez-Morin, Qinde Liu, Amandine Boeuf, and Joëlle Vinh, (2022) Candidate High-Resolution Mass Spectrometry-Based Reference Method for the Quantification of Procalcitonin in Human Serum Using a Characterized Recombinant Protein as a Primary Calibrator. Anal. Chem. 2022, 94, 10, 4146–4154.
description: This project (18HLT03 SEPTIMET) has received funding from the EMPIR programme co-financed by the Participating States and from the European Union's Horizon 2020 research and innovation programme.
DOI: 10.5281/zenodo.8154967
title: Generating VISA scores on glioma bulk RNAseq and single cell RNAseq glioma

description: Tissue stiffness is collectively determined by the stiffness of ECM and cells. Gliomas are characterized by dysregulated expression of ECM proteins, ECM crosslinking enzymes, and aberrant cellular contractility.While The RNA sequencing datasets have been comprehensively analyzed to interrogate tumor genomes, epigenomes, and transcriptomes, we realized an untapped potential: using transcriptomic data coupled with analysis of gene expression associated with ECM and actomyosin contractility to establish a bioinformatic tool, which we named VIrtual Stiffness Algorithm (VISA), capable of inferring tissue stiffness. This data repository is for reproducing VISA scores on glioma bulk RNAseq and single cell RNAseq glioma.
DOI: 10.5281/zenodo.8154966
title: Generating VISA scores on glioma bulk RNAseq and single cell RNAseq glioma

description: Tissue stiffness is collectively determined by the stiffness of ECM and cells. Gliomas are characterized by dysregulated expression of ECM proteins, ECM crosslinking enzymes, and aberrant cellular contractility.While The RNA sequencing datasets have been comprehensively analyzed to interrogate tumor genomes, epigenomes, and transcriptomes, we realized an untapped potential: using transcriptomic data coupled with analysis of gene expression associated with ECM and actomyosin contractility to establish a bioinformatic tool, which we named VIrtual Stiffness Algorithm (VISA), capable of inferring tissue stiffness. This data repository is for reproducing VISA scores on glioma bulk RNAseq and single cell RNAseq glioma.
DOI: 10.5258/soton/d1436
title: Raw images of ultra-high-speed videos to make full-field measurements

description: Dataset in support of the Southampton doctoral thesis 'Water droplet erosion of aeroengine fan blades' Four stacks (Runs 1-4) of 128 images (.tiff file format); 512 images in total. Captured at a rate of 5 MHz with a Shimadzu HPV-X ultra-high speed camera and Sigma 105 lens (f-stop set to f8). A Bowens Gemini 1000 Pro (set to 7.5) used to provide additional illumination. Related publication: Burson-Thomas, C.B., Harvey, T.J., Fletcher, L., Wellman, R., Pierron, F., & Wood, R.J.K. Investigating high-speed liquid impingement with full-field measurements. Proceedings of the Royal Society A. Under Review (Note: only data from Run 4 is used in this publication)
DOI: 10.6084/m9.figshare.23735487
title: Dataset of Water Chemisty and Land and Soil Characteristics in the Tyrma region

description: This file includes the numeric data about river water chemistry and land and soil characteristics in the Tyrma region, Russian Far East. These data were used for the study of Tashiro et al. (2023).
DOI: 10.5517/ccdc.csd.cc1pz25x
title: CCDC 1578029: Experimental Crystal Structure Determination

description: Related Article: Gang Zhao, Chunlin He, Haixiang Gao, Gregory H. Imler, Damon A. Parrish, Jean'ne M. Shreeve|2018|New J.Chem.|42|16162|doi:10.1039/C8NJ03472A
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.23546067
title: Genome-reduced bacteria exhibit pervasive episodes of adaptive stasis

description: Burkholderiaceae_sp4_models.zip : Compressed file containing the protein models used for the proteome functional redundancy analysis in a .pdb format for Burkholderiaceae species 4 as well as model ranking plot with pIDDT values used to evaluate the strength of the model. <br> Illumatobacteraceae_sp4_models.zip: Compressed file containing the protein models used for the proteome functional redundancy analysis in a .pdb format for Illumnatobacteraceae species 4 as well as model ranking plot with pIDDT values used to evaluate the strength of the model. <br> Phobius_domain_retriever_20220622.R: Rscript used to retrive the domains from the identified secretomes and cytoplasmatic proteomes.
DOI: 10.25375/uct.23733378
title: Cytochrome P450 whole cell biohydroxlation of alkanes

description: The data illustrates the experimental and simulation results generated for the study. The standard curves used for experimental techniques or experimental data analyses were included. The experimental data includes enzyme expression characterisation and concentration determination. The results of the in vivo bio hydroxylation assays were included and measured by product concentrations at different time points over a 72-hour reaction period. The simulation results included a diagram and details of the Aspen Process flowsheet developed to simulate the 2-liquid-phase system under the same conditions as the in vivo bio-hydroxylation assays and the Aspen Process flowsheet model results. All sheets that show the &gt;&gt;&gt; symbol indicate that the sheets following thereafter belong to the specified group. For example, "BR1&gt;&gt;&gt;" indicates that the data belongs to BR1.
DOI: 10.25375/uct.23733378.v1
title: Cytochrome P450 whole cell biohydroxlation of alkanes

description: The data illustrates the experimental and simulation results generated for the study. The standard curves used for experimental techniques or experimental data analyses were included. The experimental data includes enzyme expression characterisation and concentration determination. The results of the in vivo bio hydroxylation assays were included and measured by product concentrations at different time points over a 72-hour reaction period. The simulation results included a diagram and details of the Aspen Process flowsheet developed to simulate the 2-liquid-phase system under the same conditions as the in vivo bio-hydroxylation assays and the Aspen Process flowsheet model results. All sheets that show the &gt;&gt;&gt; symbol indicate that the sheets following thereafter belong to the specified group. For example, "BR1&gt;&gt;&gt;" indicates that the data belongs to BR1.
DOI: 10.4121/9c7664af-4684-43cf-95cc-a3fba6951e23.v1
title: Data underlying the publication: Pattern formation of spherical particles in an oscillating flow

description: This data set contains all the data to reproduce the results presented in the manuscript titled 'Pattern formation of spherical particles in an oscillating flow'.<br>All data processing is done in Jupyter-Lab and Paraview.<br><em>FigureX.ipynb</em> uses the preprocessed data and functions to generate Figure X from the original manuscript.<br>See the file <em>README.txt</em> for more information about data structure and processing.<br>
DOI: 10.5281/zenodo.8176830
title: Dataset for MNRAS Letter: The stellar thermal wind as a consequence of oblateness

description: This dataset contains temperature anomalies published as figure 2 and table 1 of the MNRAS Letter: The stellar thermal wind as a consequence of oblateness. This dataset also contains the entropy anomalies (not discussed in the paper), the rotation rate and its derivatives (computed from the Howe 2023 dataset), and the interpolated model S profiles (computed from the dataset at J. Christensen-Dalsgaard's personal website). For more information, see the README.pdf document.
DOI: 10.5281/zenodo.8176831
title: Dataset for MNRAS Letter: The stellar thermal wind as a consequence of oblateness

description: This dataset contains temperature anomalies published as figure 2 and table 1 of the MNRAS Letter: The stellar thermal wind as a consequence of oblateness. This dataset also contains the entropy anomalies (not discussed in the paper), the rotation rate and its derivatives (computed from the Howe 2023 dataset), and the interpolated model S profiles (computed from the dataset at J. Christensen-Dalsgaard's personal website). For more information, see the README.pdf document.
DOI: 10.4121/c461c907-d51a-4886-87e0-88bc08680c3b
title: Matlab fig files for the article: Experimental study on vibrating fluidized bed solids drying.

description: This is a set of Matlab .fig files corresponding to the figures in the paper 'Experimental study on vibrating fluidized bed solids drying' published in Chemical Engineering Journal. In this study, experiments in a pseudo-2D vibro-fluidized bed setup are performed in order to better understand this improved drying behavior. A coupled particle image velocimetry - infrared thermography technique is applied to characterize the local solids velocity and temperature fields. This data-set provides the post-processed temperature characteristics dependent on operation conditions of the vibrating fluidized bed.
DOI: 10.4121/c461c907-d51a-4886-87e0-88bc08680c3b.v1
title: Matlab fig files for the article: Experimental study on vibrating fluidized bed solids drying.

description: This is a set of Matlab .fig files corresponding to the figures in the paper 'Experimental study on vibrating fluidized bed solids drying' published in Chemical Engineering Journal. In this study, experiments in a pseudo-2D vibro-fluidized bed setup are performed in order to better understand this improved drying behavior. A coupled particle image velocimetry - infrared thermography technique is applied to characterize the local solids velocity and temperature fields. This data-set provides the post-processed temperature characteristics dependent on operation conditions of the vibrating fluidized bed.
DOI: 10.34740/kaggle/dsv/6185555
title: AutoXGB
DOI: 10.34740/kaggle/dsv/6185557
title: Health Workforce Shortage Areas
DOI: 10.5258/soton/d2716
title: Dataset in support of the Southampton doctoral thesis 'The boatbuilding tradition of the Aegean during the Late Neolithic - Early Bronze Age periods. Typological classification, digital reconstruction and seakeeping assessment'

description: Dataset in support of the Southampton doctoral thesis 'The boatbuilding tradition of the Aegean during the Late Neolithic – Early Bronze Age periods. Typological classification, digital reconstruction and seakeeping assessment' Appendix D - Resistance data and Appendix C - Stability data. This dataset is focused on two appendices: Appendix D - Resistance data. D.1 Resistance data produced by the author via MAXSURF Resistance for this thesis. Appendix C - Stability data C1. Stability data – STIX and ISO criteria, produced by the author via MAXSURF Stability software for his thesis This research was funded by Southampton Marine and Maritime Institute (SMMI), Vice-Chancellor's Scholarship, Greek Archaeological Committee UK (GACUK)
DOI: 10.5281/zenodo.8169610
title: Rapid Review Dataset for Seeking Enlightenment: Incorporating Evidence-Based Practice Techniques in a Research Software Engineering Team

description: A collection of evidence briefings produced through a rapid literature review protocol the Department of Software Engineering and Research at Sandia National Laboratories. These briefings are described in our research paper, "Seeking Enlightenment: Incorporating Evidence-Based Practice Techniques in a Research Software Engineering Team", which was accepted for publication at the 1st Annual Conference of the United States Research Software Engineer Association (US-RSE'23). Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. SAND2023-06549O.
description: {"references": ["Reed Milewicz, Jonathan Bisila, Miranda Mundt, and Joshua Teves. Seeking Enlightenment: Incorporating Evidence-Based Practice Techniques in a Research Software Engineering Team. 1st Annual Conference of the United States Association of Research Software Engineers (US-RSE'23). 10 pages."]}
DOI: 10.5281/zenodo.8169609
title: Rapid Review Dataset for Seeking Enlightenment: Incorporating Evidence-Based Practice Techniques in a Research Software Engineering Team

description: A collection of evidence briefings produced through a rapid literature review protocol the Department of Software Engineering and Research at Sandia National Laboratories. These briefings are described in our research paper, "Seeking Enlightenment: Incorporating Evidence-Based Practice Techniques in a Research Software Engineering Team", which was accepted for publication at the 1st Annual Conference of the United States Research Software Engineer Association (US-RSE'23). Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. SAND2023-06549O.
description: {"references": ["Reed Milewicz, Jonathan Bisila, Miranda Mundt, and Joshua Teves. Seeking Enlightenment: Incorporating Evidence-Based Practice Techniques in a Research Software Engineering Team. 1st Annual Conference of the United States Association of Research Software Engineers (US-RSE'23). 10 pages."]}
DOI: 10.5281/zenodo.8167597
title: Requirements Quality Theory: State-of-the-Art

description: This repository contains the replication package for evaluating state-of-the-art requirements quality research. Grounded in a harmonized theory of activity-based requirements quality, we assessed 57 primary studies from the research domain of requirements quality to determine which theory elements are neglected.
DOI: 10.5281/zenodo.8167598
title: Requirements Quality Theory: State-of-the-Art

description: This repository contains the replication package for evaluating state-of-the-art requirements quality research. Grounded in a harmonized theory of activity-based requirements quality, we assessed 57 primary studies from the research domain of requirements quality to determine which theory elements are neglected.
DOI: 10.18145/219-9c1a-h230
title: HYDROAGRO 2021-10 Nitrate SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en NO3- (ion nitrate) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.18145/203-1mr1-e310
title: HYDROAGRO 2021-10 pH SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE

description: Mesures de pH HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.6084/m9.figshare.23735592
title: data-figshare.csv

description: Dataset.
DOI: 10.18145/215-4wkd-yg72
title: HYDROAGRO 2021-10 Potassium SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en K+ (ion potassium) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.5281/zenodo.7780175
title: Deciphering methylation effects on S2(ππ∗) internal conversion in the simplest linear α,β-unsaturated carbonyl

description: Here you will find the dataset related to the article entitled: Deciphering methylation effects on S2(ππ∗) internal conversion in the simplest linear α,β-unsaturated carbonyl. ------------------------------------------------------------------------------ <strong>critical_points_geometries.zip</strong> This repository contains the XYZ files of the critical points computed at the hh-TDA-ωPBEh/6-31G(d,p) (hh-TDA) and SA5-XMS(Im=0.3)-CASPT2(10,9)/cc-pVDZ (XMSPT2) levels of theory. Also, exmaple input files for MECI and geometry optimizations for TeraChem (hh-TDA level) and BAGEL (XMS-CASPT2). Notation: AC - Acrolein CR - Crotanaldehyde MVK - Methylvinylketone MA - Methacrolein S0min - Minimum of S0 electronic state S1min - Minimum of S1 electronic state S2min - Minimum of S2 electronic state S1S0_MECI - Minimum energy conical intersection at S1 and S0 electronic states intersection S2S1_MECI - Minimum energy conical intersection at S2 and S1 electronic states intersection NTpyr, CCpyr, N.... relates to the label of different MECI structures. Information regarding this nomenclature can be found in the Supporting Information of the paper. Computational details and extra information regarding these structures can be found in the main text and supporting information of the article. ------------------------------------------------------------------------------------------------------------------------------------------ <strong>AIMS_ICs.zip</strong> This repository contains all the initial conditions (ICs) sampled to perform the ab-initio multiple spawning dynamics simulations for acrolein (AC), crotanaldehyde (CR), methylvinylketone (MVK), and methacrolein (MA). For AC, CR, MVK and MA, 50 ICs were randomly sampled from a narrow window of 0.05 eV around 6.20 eV (from the calculated absorption spectra) For CR, 10 additional ICs were also sampled in addition to the 50, to ensure that the observed stalling in population decay around 600-900fs in not due to undersampling. All IC files are named as ICXXXX.dat where XXXX = randomly selected IC number Each IC file contains the cartesian coordinates in Bohr and the corresponding nuclear velocities in Bohr/atomic unit.
description: For additional information, please contact Nanna H. List at nalist@kth.se.
DOI: 10.5281/zenodo.7780176
title: Deciphering methylation effects on S2(ππ∗) internal conversion in the simplest linear α,β-unsaturated carbonyl

description: Here you will find the dataset related to the article entitled: Deciphering methylation effects on S2(ππ∗) internal conversion in the simplest linear α,β-unsaturated carbonyl. ------------------------------------------------------------------------------ <strong>critical_points_geometries.zip</strong> This repository contains the XYZ files of the critical points computed at the hh-TDA-ωPBEh/6-31G(d,p) (hh-TDA) and SA5-XMS(Im=0.3)-CASPT2(10,9)/cc-pVDZ (XMSPT2) levels of theory. Also, exmaple input files for MECI and geometry optimizations for TeraChem (hh-TDA level) and BAGEL (XMS-CASPT2). Notation: AC - Acrolein CR - Crotanaldehyde MVK - Methylvinylketone MA - Methacrolein S0min - Minimum of S0 electronic state S1min - Minimum of S1 electronic state S2min - Minimum of S2 electronic state S1S0_MECI - Minimum energy conical intersection at S1 and S0 electronic states intersection S2S1_MECI - Minimum energy conical intersection at S2 and S1 electronic states intersection NTpyr, CCpyr, N.... relates to the label of different MECI structures. Information regarding this nomenclature can be found in the Supporting Information of the paper. Computational details and extra information regarding these structures can be found in the main text and supporting information of the article. ------------------------------------------------------------------------------------------------------------------------------------------ <strong>AIMS_ICs.zip</strong> This repository contains all the initial conditions (ICs) sampled to perform the ab-initio multiple spawning dynamics simulations for acrolein (AC), crotanaldehyde (CR), methylvinylketone (MVK), and methacrolein (MA). For AC, CR, MVK and MA, 50 ICs were randomly sampled from a narrow window of 0.05 eV around 6.20 eV (from the calculated absorption spectra) For CR, 10 additional ICs were also sampled in addition to the 50, to ensure that the observed stalling in population decay around 600-900fs in not due to undersampling. All IC files are named as ICXXXX.dat where XXXX = randomly selected IC number Each IC file contains the cartesian coordinates in Bohr and the corresponding nuclear velocities in Bohr/atomic unit.
description: For additional information, please contact Nanna H. List at nalist@kth.se.
DOI: 10.18145/204-e3wj-4e44
title: HYDROAGRO 2021-10 Sodium SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE

description: Mesures de concentration en Na+ (ion sodium) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.18145/220-vyyd-2j55
title: HYDROAGRO 2021-10 Sulphate SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en SO42- (ion sufate) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.5517/ccdc.csd.cc2cjf8m
title: CCDC 2190530: Experimental Crystal Structure Determination

description: Related Article: Hisakazu Miyamoto, Hiroki Takahashi|2023|J.Mol.Struct.|1292|136157|doi:10.1016/j.molstruc.2023.136157
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: 10.18145/224-2m6s-8b73
title: HYDROAGRO 2021-10 AminoAcides SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en acides aminés dans l'eau sur des prélèvements HYDROAGRO 2021 de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.18145/218-vjqf-jx37
title: HYDROAGRO 2021-10 Calcium SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en Ca2+ (ion calcium) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.18145/216-q85t-y836
title: HYDROAGRO 2021-10 Ammonium SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en NH4+ (ion ammonium) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.18145/221-53gb-rw66
title: HYDROAGRO 2021-10 Chlorure SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en Cl- (ion chlorure) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.18145/222-szj3-et15
title: HYDROAGRO 2021-10 IsotopieOxygene SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de rapport isotopique de l'oxygène (Delta 18O) dans l'eau sur des prélèvements HYDROAGRO 2021 de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat
DOI: 10.18145/217-7baf-zp54
title: HYDROAGRO 2021-10 Magnesium SOL EAU PLUIE ACBB AYDAT VEYRE ARTIERE 01

description: Mesures de concentration en Mg2+ (ion magnésium) HYDROAGRO 2021 sur des prélèvements de lixiviats de sols, de précipitations et d'eau de la rivière Artière à Theix-Saint-Genès-Champanelle, et d'eau de la Veyre et du lac d'Aydat à Aydat