cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc22yg8s
title: CCDC 1934935: Experimental Crystal Structure Determination

description: Related Article: Xuemei Yang,  Lindy C. Elrod,  Trung Le,  Valeria S. Vega,  Haley Naumann,  Yohannes Rezenom,  Joseph H. Reibenspies,  Michael B. Hall,  Marcetta Y. Darensbourg|2019|J.Am.Chem.Soc.|141|15338|doi:10.1021/jacs.9b07448
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.cc22yh5q
title: CCDC 1934963: Experimental Crystal Structure Determination

description: Related Article: Xuemei Yang,  Lindy C. Elrod,  Trung Le,  Valeria S. Vega,  Haley Naumann,  Yohannes Rezenom,  Joseph H. Reibenspies,  Michael B. Hall,  Marcetta Y. Darensbourg|2019|J.Am.Chem.Soc.|141|15338|doi:10.1021/jacs.9b07448
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.cc232bm5
title: CCDC 1938666: Experimental Crystal Structure Determination

description: Related Article: Natalija Pantalon Juraj, Goran I. Miletić, Berislav Perić, Zora Popović, Neven Smrečki, Robert Vianello, Srećko I. Kirin|2019|Inorg.Chem.|58|16445|doi:10.1021/acs.inorgchem.9b02200
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.cc232bp7
title: CCDC 1938668: Experimental Crystal Structure Determination

description: Related Article: Natalija Pantalon Juraj, Goran I. Miletić, Berislav Perić, Zora Popović, Neven Smrečki, Robert Vianello, Srećko I. Kirin|2019|Inorg.Chem.|58|16445|doi:10.1021/acs.inorgchem.9b02200
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.cc232bq8
title: CCDC 1938669: Experimental Crystal Structure Determination

description: Related Article: Natalija Pantalon Juraj, Goran I. Miletić, Berislav Perić, Zora Popović, Neven Smrečki, Robert Vianello, Srećko I. Kirin|2019|Inorg.Chem.|58|16445|doi:10.1021/acs.inorgchem.9b02200
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.cc232br9
title: CCDC 1938670: Experimental Crystal Structure Determination

description: Related Article: Natalija Pantalon Juraj, Goran I. Miletić, Berislav Perić, Zora Popović, Neven Smrečki, Robert Vianello, Srećko I. Kirin|2019|Inorg.Chem.|58|16445|doi:10.1021/acs.inorgchem.9b02200
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.cc233y4b
title: CCDC 1940201: Experimental Crystal Structure Determination

description: Related Article: Peter A. Cleaves, Alexander J. Ayres, Lisa Vondung, John C. Stewart, Philip J. Cobb, Ashley J. Wooles, Stephen T. Liddle|2020|Organometallics|39|4735|doi:10.1021/acs.organomet.0c00708
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.cc22gddc
title: CCDC 1920462: Experimental Crystal Structure Determination

description: Related Article: Mandeep K. Chahal, Jan Labuta, Václav Březina, Paul A. Karr, Yoshitaka Matsushita, Whitney A. Webre, Daniel T. Payne, Katsuhiko Ariga, Francis D’Souza, Jonathan P. Hill|2019|Dalton Trans.|48|15583|doi:10.1039/C9DT02365H
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.cc233y6d
title: CCDC 1940203: Experimental Crystal Structure Determination

description: Related Article: Peter A. Cleaves, Alexander J. Ayres, Lisa Vondung, John C. Stewart, Philip J. Cobb, Ashley J. Wooles, Stephen T. Liddle|2020|Organometallics|39|4735|doi:10.1021/acs.organomet.0c00708
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.cc233y8g
title: CCDC 1940205: Experimental Crystal Structure Determination

description: Related Article: Peter A. Cleaves, Alexander J. Ayres, Lisa Vondung, John C. Stewart, Philip J. Cobb, Ashley J. Wooles, Stephen T. Liddle|2020|Organometallics|39|4735|doi:10.1021/acs.organomet.0c00708
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.cc234h1t
title: CCDC 1940725: Experimental Crystal Structure Determination

description: Related Article: R. Chaurasia, Shivendra Kumar Pandey, Devesh Kumar Singh, M. K. Bharty, Vellaichamy Ganesan, S. K. Hira, P. P. Manna, A. Bharti, Ray J. Butcher|2021|Dalton Trans.|50|14362|doi:10.1039/D1DT02285G
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.cc234hqh
title: CCDC 1940746: Experimental Crystal Structure Determination

description: Related Article: Rafaela A. L. Silva, Isabel C. Santos, Vasco Gama, Elsa B. Lopes, Pascale Auban-Senzier, Manuel Almeida, Dulce Belo|2019|Cryst.Growth Des.|19|6493|doi:10.1021/acs.cgd.9b00958
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.cc234nlj
title: CCDC 1940897: Experimental Crystal Structure Determination

description: Related Article: R. Chaurasia, Shivendra Kumar Pandey, Devesh Kumar Singh, M. K. Bharty, Vellaichamy Ganesan, S. K. Hira, P. P. Manna, A. Bharti, Ray J. Butcher|2021|Dalton Trans.|50|14362|doi:10.1039/D1DT02285G
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.cc234t69
title: CCDC 1941040: Experimental Crystal Structure Determination

description: Related Article: R. Chaurasia, Shivendra Kumar Pandey, Devesh Kumar Singh, M. K. Bharty, Vellaichamy Ganesan, S. K. Hira, P. P. Manna, A. Bharti, Ray J. Butcher|2021|Dalton Trans.|50|14362|doi:10.1039/D1DT02285G
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.13867477
title: Dataset related to article: "Health risk assessment for dietary exposure to 3-monochloropropane-1,2-diol, 2-monochloropropane-1,2-diol, and glycidol for Italian consumers"

description: Excel file containing food consumption data and concentration data in foodstuff used for exposure assessment
DOI: 10.5281/zenodo.13867478
title: Dataset related to article: "Health risk assessment for dietary exposure to 3-monochloropropane-1,2-diol, 2-monochloropropane-1,2-diol, and glycidol for Italian consumers"

description: Excel file containing food consumption data and concentration data in foodstuff used for exposure assessment
DOI: 10.6084/m9.figshare.27144354
title: Combined Analysis of Metabolomics and Proteomics in Immune-Related Dry Eye Disease

description: Dry eye disease (DED) is a chronic ocular surface disorder with immune factors significantly contributing to its pathogenesis. Traditional research methods, often focused on single-dimensional approaches, have limited the understanding of the complex mechanisms involved in DED. The advent of multi-omics technologies, however, offers a comprehensive framework to explore molecular mechanisms across multiple levels, presenting new possibilities for diagnosing and treating DED. This study specifically aimed to compare the proteomics and metabolomics profiles of individuals with Sjögren’s Syndrome (SS), a condition often associated with DED, to healthy controls, and to identify potential biomarkers and pathways that play a role in its development. Serum proteins and metabolites were analyzed using liquid chromatography-tandem mass spectrometry (LC-MS/MS), followed by multivariate and univariate statistical analysis to pinpoint differentially expressed proteins (DEPs) and metabolites (DEMs). Functional annotations and pathway enrichment analyses were conducted using the Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) databases to identify key molecular pathways. Bioinformatics tools were then applied to integrate the proteomics and metabolomics data, highlighting crucial differential proteins, metabolites, and biomarkers. The study identified 112 DEPs in individuals with SS, including 94 upregulated and 18 downregulated proteins. The most significantly enriched pathways in KEGG analysis included amino acid biosynthesis, glycolysis/gluconeogenesis, the Rap1 signaling pathway, carbon metabolism, focal adhesion, platelet activation, the pentose phosphate pathway, and actin cytoskeleton regulation. Key proteins identified as potentially related to SS development included GAPDH, CFL1, ENO1, VCL, MYH9, FLNA, TPI1, ITGA2B, TLN1, and TXN. In the metabolomics analysis, 372 DEMs were identified, with 268 upregulated and 104 downregulated metabolites, primarily enriched in glycine, serine, threonine metabolism, as well as taurine and hypotaurine metabolism. The integration of proteomics and metabolomics data underscored the significance of the Rap1 signaling pathway, suggesting its potential involvement in the development of DED. Overall, this study revealed several key differential proteins, metabolites, and potential biomarkers, providing valuable insights into the molecular mechanisms underlying DED and offering new avenues for further research into its pathogenesis.
DOI: 10.15468/dl.vexums
title: Occurrence Download

description: A dataset containing 11980 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca rupicola Heuff."
 ]
}

 The dataset includes 11980 records from 193 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036700-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.27144273
title: Competitive index of srfA mutant strain PS-216 in social interaction (Fig2)

description: Concentrations of each strain (srfA mutant and swarming proficient wt strain) in mixed swarm in the inoculum (initial concentration) and at the swarm meeting area (final concentration) used for calculations of srfA mutants competitive index.
DOI: 10.6084/m9.figshare.27144276
title: Surfactin concentration produced by evolved strains

description: Three replicate measurements of surfactin concentrations for each evolved clone.
DOI: 10.6084/m9.figshare.27144276.v1
title: Surfactin concentration produced by evolved strains

description: Three replicate measurements of surfactin concentrations for each evolved clone.
DOI: 10.6084/m9.figshare.27144282
title: Swarming phenotype screening after 20th cycle (Fig 3)

description: Results of screning for swarming phenotype of randomly selected evolved clones in each evolved population after 20th reinoculation cycle.
DOI: 10.6084/m9.figshare.27144282.v1
title: Swarming phenotype screening after 20th cycle (Fig 3)

description: Results of screning for swarming phenotype of randomly selected evolved clones in each evolved population after 20th reinoculation cycle.
DOI: 10.6084/m9.figshare.27144291
title: Swarming phenotype screening after10th cycle

description: Results of screning of randomly selected evolved clones in each evolved population after 10th reinoculation cycle.
DOI: 10.6084/m9.figshare.27144273.v1
title: Competitive index of srfA mutant strain PS-216 in social interaction (Fig2)

description: Concentrations of each strain (srfA mutant and swarming proficient wt strain) in mixed swarm in the inoculum (initial concentration) and at the swarm meeting area (final concentration) used for calculations of srfA mutants competitive index.
DOI: 10.6084/m9.figshare.27144288
title: Competitive index of strain PS-216 srfA in mixed swarm (Fig1)

description: Competitive index of strain PS-216 srfA in mixed swarm with wild type strain in each of three reinoculation cycles (Fig1)
DOI: 10.6084/m9.figshare.27144288.v1
title: Competitive index of strain PS-216 srfA in mixed swarm (Fig1)

description: Competitive index of strain PS-216 srfA in mixed swarm with wild type strain in each of three reinoculation cycles (Fig1)
DOI: 10.6084/m9.figshare.27144291.v1
title: Swarming phenotype screening after10th cycle

description: Results of screning of randomly selected evolved clones in each evolved population after 10th reinoculation cycle.
DOI: 10.15468/dl.ejsd58
title: Occurrence Download

description: A dataset containing 118 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cephalorhynchus eutropia (Gray, 1846)"
 ]
}

 The dataset includes 118 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036701-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13869110
title: Run input files for the simulation of a C. jejuni inner membrane model

description: Run input files for the simulation of a C. jejuni inner membrane model (Chapter 5 of Kahlan Newman's Doctoral Thesis). Full trajectories can be shared on request.
DOI: 10.5281/zenodo.13869111
title: Run input files for the simulation of a C. jejuni inner membrane model

description: Run input files for the simulation of a C. jejuni inner membrane model (Chapter 5 of Kahlan Newman's Doctoral Thesis). Full trajectories can be shared on request.
DOI: 10.15468/dl.5qb32y
title: Occurrence Download

description: A dataset containing 6151 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-5.17807 51.67943,-5.16828 51.6813,-5.16834 51.68585,-5.15613 51.68759,-5.15638 51.69239,-5.15252 51.69644,-5.15501 51.69931,-5.15495 51.70136,-5.14915 51.70118,-5.14815 51.71171,-5.16099 51.71146,-5.17059 51.71433,-5.19502 51.71395,-5.18991 51.68597,-5.17807 51.67943))",
 "Year 1945-1995"
 ]
}

 The dataset includes 6151 records from 55 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036703-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13869186
title: smilisca_baudinii_spades_01.fasta.gz
DOI: 10.5281/zenodo.13869187
title: smilisca_baudinii_spades_01.fasta.gz
DOI: 10.15468/dl.kqmkhc
title: Occurrence Download

description: A dataset containing 17638 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca valesiaca Schleich. ex Gaudin"
 ]
}

 The dataset includes 17638 records from 273 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036704-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13869132
title: Importance of Data Science in Decision Making

description: Data Science is a rapidly growing field of study that not only focuses on understanding the data but also, on predicting the future outcomes by the method of data gathering and data analysis. Usingstatistical methods to find patterns in data, we can turn an outcome in our favor by adjusting our actions and responses accordingly. In this paper, we investigate how decision-making process is leveraged with the help of data science in various fields and the ethical issues involved for the same. We also discuss how data science can foster better controlling, administering, regulating, directing and executing aspects of decision-making. This paper would ultimately serve as a reference material for individuals and organizations willing to understand the importance of data science in decision making process.
DOI: 10.5281/zenodo.13869133
title: Importance of Data Science in Decision Making

description: Data Science is a rapidly growing field of study that not only focuses on understanding the data but also, on predicting the future outcomes by the method of data gathering and data analysis. Usingstatistical methods to find patterns in data, we can turn an outcome in our favor by adjusting our actions and responses accordingly. In this paper, we investigate how decision-making process is leveraged with the help of data science in various fields and the ethical issues involved for the same. We also discuss how data science can foster better controlling, administering, regulating, directing and executing aspects of decision-making. This paper would ultimately serve as a reference material for individuals and organizations willing to understand the importance of data science in decision making process.
DOI: 10.13012/b2idb-1147122_v1
title: Data for Transcriptional responses of detoxification genes to coumaphos in a nontarget species, Galleria mellonella (greater wax moth) (Lepidoptera: Pyralidae), in the beehive environment

description: This dataset is associated with the manuscript "Transcriptional responses of detoxification genes to coumaphos in a nontarget species, Galleria mellonella (greater wax moth) (Lepidoptera: Pyralidae), in the beehive environment"

This dataset includes 2 Excel files:
1) raw_data_bioassay.xlsx: this file contains the raw data for waxworm bioassay. There are 2 worksheets within this file:

- LC50: raw data for measuring LC50 in the laboratory and field strain of Galleria mellonella.

- RGR: Relative Growth Rate, raw data for measuring body weight of field strain of Galleria mellonella .

2) raw-data_RT-qPCR.xlsx: this file contains raw data (Ct value) of RT-qPCR.
DOI: 10.6084/m9.figshare.26863261
title: Monte Carlo Inference for Semiparametric Bayesian Regression

description: Data transformations are essential for broad applicability of parametric regression models. However, for Bayesian analysis, joint inference of the transformation and model parameters typically involves restrictive parametric transformations or nonparametric representations that are computationally inefficient and cumbersome for implementation and theoretical analysis, which limits their usability in practice. This article introduces a simple, general, and efficient strategy for joint posterior inference of an unknown transformation and all regression model parameters. The proposed approach directly targets the posterior distribution of the transformation by linking it with the marginal distributions of the independent and dependent variables, and then deploys a Bayesian nonparametric model via the Bayesian bootstrap. Crucially, this approach delivers (a) joint posterior consistency under general conditions, including multiple model misspecifications, and (b) efficient Monte Carlo (not Markov chain Monte Carlo) inference for the transformation and all parameters for important special cases. These tools apply across a variety of data domains, including real-valued, positive, and compactly-supported data. Simulation studies and an empirical application demonstrate the effectiveness and efficiency of this strategy for semiparametric Bayesian analysis with linear models, quantile regression, and Gaussian processes. The R package SeBR is available on CRAN. Supplementary materials for this article are available online, including a standardized description of the materials available for reproducing the work.