cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2p9r4x
title: CCDC 2482019: Experimental Crystal Structure Determination

description: Related Article: Kurt J. Haseloff, Katharina Rediger, Mohammad D. Mandourah, Max Wolf, Christian Kleeberg, Stefanie Tschierlei, Maria Wächtler, Michael Karnahl|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04739
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.cc2pbtpk
title: CCDC 2483059: Experimental Crystal Structure Determination

description: Related Article: Fangmei Fu, Congcong Chen, Yutong Lin, Jiawei Lin, Pan Wang, Xiaoqin Ji, Lingling Mao|2025|Chem.Mater.|||doi:10.1021/acs.chemmater.5c02591
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.cc2ppz9p
title: CCDC 2493773: Experimental Crystal Structure Determination

description: Related Article: Huihang Hou, Yuanshuang Xu, Jiayi Zou, Chunhua Ma, Xinying Zhang, Xuesen Fan|2025|Org.Lett.|||doi:10.1021/acs.orglett.5c04160
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.cc2pbtvq
title: CCDC 2483064: Experimental Crystal Structure Determination

description: Related Article: Fangmei Fu, Congcong Chen, Yutong Lin, Jiawei Lin, Pan Wang, Xiaoqin Ji, Lingling Mao|2025|Chem.Mater.|||doi:10.1021/acs.chemmater.5c02591
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.cc2pf4ny
title: CCDC 2485290: Experimental Crystal Structure Determination

description: Related Article: Mariia Anureeva, Mikhail Kendin, Adler Gamzatov, Dmitry Tsymbarenko|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c15552
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.30832809
title: Emergence, climate-driven expansion, and diversification of a European <i>Vibrio vulnificus</i> lineage (L4) with multi-host pathogenic potential

description: Climate-driven changes are reshaping the ecology of <i>Vibrio vulnificus</i> in European waters. Here, we present a retrospective genomic and phenotypic analysis of pre-2018 isolates belonging to lineage 4 (L4), a phylogenetic group historically confined to the Mediterranean Sea and now detected in northern Europe. Using a lineage-specific multiplex PCR combined with whole-genome sequencing, we identified 49 clinical and environmental L4 isolates from German coastal waters. Comparative genomics revealed extensive genetic plasticity in L4, indicative of frequent recombination and horizontal gene transfer, including three MARTX toxin architectures, fourteen distinct capsular genotypes, two type VI secretion systems, and multiple prophages. Notably, nearly half of the L4 isolates encoded a previously undescribed MARTX variant (type H), apparently derived from recombination within a type C toxin and containing a novel calmodulin-dependent NADase (CdN) domain with potential functional implications for virulence. One strain also harboured the plasmid-borne genes <i>ftbp</i> and <i>fpcrp</i>, which confer resistance to fish innate immunity and the ability to cause sepsis, thereby extending the distribution of the <i>piscis</i> pathovar to all five <i>V. vulnificus</i> lineages. Functional assays showed that most L4 strains withstood the bactericidal activity of iron-overloaded human serum, consistent with a capacity to cause sepsis in susceptible individuals. Collectively, these findings redefine <i>V. vulnificus</i> as a multi-host climate-responsive marine pathogen and establish L4 as a newly adapted European lineage whose northward expansion exemplifies how genomic diversification and ocean warming jointly drive the evolution of high-risk marine pathogens within a One Health framework.
DOI: 10.6084/m9.figshare.30832809.v1
title: Emergence, climate-driven expansion, and diversification of a European <i>Vibrio vulnificus</i> lineage (L4) with multi-host pathogenic potential

description: Climate-driven changes are reshaping the ecology of <i>Vibrio vulnificus</i> in European waters. Here, we present a retrospective genomic and phenotypic analysis of pre-2018 isolates belonging to lineage 4 (L4), a phylogenetic group historically confined to the Mediterranean Sea and now detected in northern Europe. Using a lineage-specific multiplex PCR combined with whole-genome sequencing, we identified 49 clinical and environmental L4 isolates from German coastal waters. Comparative genomics revealed extensive genetic plasticity in L4, indicative of frequent recombination and horizontal gene transfer, including three MARTX toxin architectures, fourteen distinct capsular genotypes, two type VI secretion systems, and multiple prophages. Notably, nearly half of the L4 isolates encoded a previously undescribed MARTX variant (type H), apparently derived from recombination within a type C toxin and containing a novel calmodulin-dependent NADase (CdN) domain with potential functional implications for virulence. One strain also harboured the plasmid-borne genes <i>ftbp</i> and <i>fpcrp</i>, which confer resistance to fish innate immunity and the ability to cause sepsis, thereby extending the distribution of the <i>piscis</i> pathovar to all five <i>V. vulnificus</i> lineages. Functional assays showed that most L4 strains withstood the bactericidal activity of iron-overloaded human serum, consistent with a capacity to cause sepsis in susceptible individuals. Collectively, these findings redefine <i>V. vulnificus</i> as a multi-host climate-responsive marine pathogen and establish L4 as a newly adapted European lineage whose northward expansion exemplifies how genomic diversification and ocean warming jointly drive the evolution of high-risk marine pathogens within a One Health framework.
DOI: 10.15468/dl.es8ca3
title: Occurrence Download

description: A dataset containing 6629360 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Chroicocephalus ridibundus",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON((-180 -90, 180 -90, 180 90, -180 90, -180 -90))"
 ]
}

 The dataset includes 6629360 records from 3214 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0064198-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tefkyp
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Eucosma camdenana (McDunnough, 1925)"
 ]
}

 The dataset includes 5 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007259-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.absfjy
title: Occurrence Download

description: A dataset containing 12831 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Thunnus thynnus (Linnaeus, 1758)"
 ]
}

 The dataset includes 12831 records from 151 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007258-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.57967/hf/5098
title: math-story-problems
DOI: 10.15468/dl.43gjn4
title: Occurrence Download

description: A dataset containing 133 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Germany",
 "Month is September",
 "Year 1853-1853"
 ]
}

 The dataset includes 133 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006980-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dxnjd2
title: Occurrence Download

description: A dataset containing 77 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Branchiobdella balcanica Moszynski, 1938"
 ]
}

 The dataset includes 77 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006981-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r5a3zu
title: Occurrence Download

description: A dataset containing 18088157 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Ardea cinerea Linnaeus, 1758, Ardea insignis Hume, 1878, Ardea goliath Cretzschmar, 1829, Ardea purpurea manilensis Meyen, 1834, Ardea alba Linnaeus, 1758, Ardea intermedia Wagler, 1829)"
 ]
}

 The dataset includes 18088157 records from 6002 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006973-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/7huvvu
title: Enriched_Iron_Ore_metagenome

description: study of Enriched iron ore metagenome
DOI: 10.15468/dl.wyd5tf
title: Occurrence Download

description: A dataset containing 11080 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Colecciones del Herbario QCA, Pontificia Universidad Católica del Ecuador"
 ]
}

 The dataset includes 11080 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009165-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/4cinb2
title: Diet analysis of Japanese sardine and Pacific round herring larvae

description: A successful feeding on preferred prey is important for survival of fish larvae; however, it is difficult to obtain high taxonomic resolutions from damaged gut contents by morphological classification. In this study, &lt;10 mm early post-larvae of Japanese sardine (Sardinops melanostictus) and Pacific round herring (Etrumeus teres) were collected in Tosa Bay (Japan) during their major spawning period. Their diet and environmental plankton communities were investigated using metagenetic analysis of 18S V9 region.
DOI: 10.15468/dl.2d6p79
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Hornungia alpina",
 "Country is Belgium",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009167-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/mcnrvv
title: Global phylogeography survey of thermophilic spores in marine sediments.

description: 16S rRNA gene-based survey of thermophilic spores in marine sediments from globally distributed locations.
DOI: 10.15468/33qqsm
title: Microflora Danica: Bacterial 16S rRNA genes (UMIs)

description: This project contains the near full-length UMI 16S rRNA gene data belonging to the Microflora Danica project. The Microflora Danica project encompasses over 10,000 samples from across Denmark, taken between 2019 and 2023 with the goal to cover as much of the microbial diversity in the investigated habitats as possible. 
For the bacterial and eukaryotic operon data see https://doi.org/10.15468/yr5rmw and https://doi.org/10.15468/ea7jvq, respectively. 

The unique molecular identifiers (UMIs) approach relies on the use of molecular nucleotide template tagging to achieve high-accuracy single-molecule consensus calling on the Oxford Nanopore sequencing platform. The addition of UMIs to both ends of the template enables the bioinformatic identification and removal of chimeras formed during PCR.

In the project the UMI 16S rRNA gene sequences was used together with near full-length 16S rRNA gene sequences to construct the Microflora Danica 16S rRNA gene reference database (https://zenodo.org/records/12605769) and to investigate the 16S rRNA gene sequence diversity and novelty of species representative sequences. Furthermore, the UMI 16S rRNA gene data was solely used for the estimation of the bacterial richness of the Danish terrestrial habitats and in the analysis of different diversity metrics in the manuscript (https://doi.org/10.1101/2024.06.27.600767). 

Funding was provided by the Poul Due Jensen/Grundfos Foundation.
Associated metadata is also available from github (https://github.com/cmc-aau/mfd_wiki).[This dataset was processed using the GBIF Metabarcoding Data Toolkit.]
DOI: 10.15468/u8xd0e
title: Intertidal Mixing Zone Targeted Locus (Loci)

description: Submarine groundwater must pass through an Fe-mineralized barrier before being discharged to coastal environments. Our goal was to assay the microbial members of this subsurface aquifer environment, looking at both pore water and surface sediments from a shore-perpendicular transect down to 4 m depth.
DOI: 10.5281/zenodo.17185394
title: Supporting data for manuscript: "Active Δ-learning with universal potentials for global structure optimization"

description: Datasets and Python scripts supporting the findings presented in the manuscript "Active $\Delta$-learning with universal potentials for global structure optimization". 

Contained are scripts to reproduce the results using AGOX v. 3.10.2



rss_sript.py: Random Structure Search  AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters. 

bh_script.py: Basin Hopping AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters. 

gofee_script.py: GOFEE AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters. 

rex_script.py: Replica Exchange X AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters.

rss_surface_script.py: Random structure search AGOX script for $(\sqrt{7} \times \sqrt{7})$ Ag(111) sulfur reconstructed surface.

rex_surface_script.py: Replica Exchange X AGOX script for $(\sqrt{17} \times \sqrt{17})$ Ag(100) sulfur reconstructed surface.


And datasets: 



figure_2_ags_clusters/Ag<2*size>S<size>_<umlip>.xyz: Global minima configurations of Ag<2*size>S<size> clusters with different <umlip> for size = [4, 6, 8, 10, 12] and umlip = [chg, mace, mace_mpa].

figure_3_ags_clusters/ag16s8_<umlip>.xyz: Minima configurations for the $[\mathrm{Ag}_2\mathrm{S}]_8$ clusters.

figure_6_ag111_sq7xsq7/dft.xyz: DFT Global minimum configuration for the $(\sqrt{7} \times \sqrt{7})$ Ag(111) sulfur reconstructed surface.

figure_7_ag100_sq17xsq17/<mulip>.xyz: DFT, CHGNet, MACE-MP0 and MACE-MPA global minima configurations for the $(\sqrt{17} \times \sqrt{17})$ Ag(100) sulfur reconstructed surface.

figure_8_pretraining_data/training.xyz: Training data to pretrain $\Delta$-model for $(\sqrt{17} \times \sqrt{17})$ Ag(100) sulfur reconstructed surface. 

ag17x17.xyz: $(\sqrt{17} \times \sqrt{17})$ Ag(111) surface slab. 

ag7x7.xyz: $(\sqrt{7} \times \sqrt{7})$ Ag(100) surface slab. 

supplementary/supp_4/Ag<2*size>S<size>_<umlip>.xyz: Configurations of Ag<2*size>S<size> clusters with different <umlip> for size = [4, 6, 8, 10, 12] and umlip = [chg, mace_mp0, mace_mpa].
DOI: 10.15468/dl.pvsv9n
title: Occurrence Download

description: A dataset containing 12075 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Issue is one of (Geodetic datum assumed WGS84, Coordinate rounded, Country derived from coordinates, Recorded date invalid, Recorded date mismatch, Recorded date unlikely, Taxon match fuzzy, Taxon match higher rank, The scientific name ID was not found in the checklist, The taxon concept ID was not found in the checklist, The taxon ID was not found in the checklist, Elevation min max swapped, Modified date invalid, Modified date unlikely, Identified date unlikely, Identified date invalid, Type status invalid, Multimedia date invalid, Occurrence status inferred from individual count, Occurrence status unparsable, Institution collection mismatch, Possibly on loan, Different owner institution, Collection match fuzzy, Institution match fuzzy, Collection match none, Institution match none, Ambiguous institution, Ambiguous collection, Continent derived from coordinates, Coordinate precision invalid)",
 "TaxonKey is Theobroma"
 ]
}

 The dataset includes 12075 records from 343 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009166-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kyc98n
title: Occurrence Download

description: A dataset containing 4440 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Phoenix dactylifera",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 4440 records from 177 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009171-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z3p78c
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Hornungia alpina",
 "Country is Iceland",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009168-250920141307145/datasets/export for details.
DOI: 10.15468/jqdwhi
title: Bacterial Diversity in the East China Sea

description: This study aims to determine bacterial community structures using illumina MiSeq paired-end sequencing (for 16S rDNA) in the East China Sea.
DOI: 10.15468/qc44mb
title: BSM marine Targeted Locus

description: To study the bacterial diversity - coastal marine water from Malaysia.
DOI: 10.15468/nzmszo
title: Extracellular DNA marine sediment Targeted Locus (Loci)

description: To assess the diversity of eukaryotes in Red Sea sediments via amplicon sequencing of extracellular DNA.
DOI: 10.15468/dl.g75k6t
title: Occurrence Download

description: A dataset containing 1662 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-78.18349 -5.42607,-66.27229 -5.42607,-66.27229 13.20407,-78.18349 13.20407,-78.18349 -5.42607))",
 "HasGeospatialIssue is false",
 "TaxonKey is Panthera onca"
 ]
}

 The dataset includes 1662 records from 99 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009172-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/hrmwxl
title: 16S rRNA metagenomic investigation of arsenotrophic bacteriome of ground water and soil from arsenic-prone area of Bangladesh

description: In order to characterize the microbial biodiversity of arsenic contaminated water and surrounding soil a metagenomic approach by sequencing six hypervariable regions of 16S rRNA gene has been performed.
DOI: 10.15468/dl.pd8wrn
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Philippines",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Cycadales"
 ]
}

 The dataset includes 34 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009173-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a53swj
title: Occurrence Download

description: A dataset containing 293 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Material sample",
 "TaxonKey is Carduelis carduelis"
 ]
}

 The dataset includes 293 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009174-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/pakhxl
title: Uncultured marine eukaryotes Targeted Locus (Loci)

description: A community study of the large-fraction eukaryotes present in the Beaufort Sea as determined by pyrosequencing of 18S molecules.
DOI: 10.15468/dl.y6atcu
title: Occurrence Download

description: A dataset containing 60766 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lutra lutra",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "Year is greater than or equal to 2000",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen, Material sample)"
 ]
 }
 },
 "Country is United Kingdom of Great Britain and Northern Ireland",
 {
 "or" : [
 "CoordinateUncertaintyInMeters is less than or equal to 10000",
 "CoordinateUncertaintyInMeters is null"
 ]
 }
 ]
}

 The dataset includes 60766 records from 122 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009131-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5883/ds-abombat2
title: Thomas Strohmeier, Sabine Schoder, Sylvia Schaeffer, Jacqueline Grimm, Christian Sturmbauer and Stephan Koblmueller

description: DNA barcode data hosted in the Data Portal of the Barcode of Life Data Systems. Records consist of specimen metadata, specimen images, and sequence data.
DOI: 10.15468/zjxboh
title: Blue Mountains Swamp Archaea

description: Blue Mountains Swamp Archaea