cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc279vdt
title: CCDC 2065046: Experimental Crystal Structure Determination

description: Related Article: Hao-Cheng Wang, Xiao Liu, Jian-Gong Ma, Peng Cheng|2024|CSD Communication|||
description: Related Article: Hao-Cheng Wang, Xiao Liu, Jian-Gong Ma, Peng Cheng|2024|Green Chemistry|26|7312|doi:10.1039/D4GC00865K
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.cc29f00s
title: CCDC 2127654: Experimental Crystal Structure Determination

description: Related Article: Ryoji Tanaka|2024|CSD Communication|||
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: 10.15468/dl.peg3w7
title: Occurrence Download

description: A dataset containing 1303 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Spirotheca Ulbr."
 ]
}

 The dataset includes 1303 records from 138 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000183-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fngefd
title: Occurrence Download

description: A dataset containing 883 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "TaxonKey is one of (Lontra longicaudis (Olfers, 1818), Lontra canadensis (Schreber, 1777))"
 ]
}

 The dataset includes 883 records from 45 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000184-240906103802322/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.26955688
title: <b>Unveiling Ecosystem Shifts in the southern Benguela through otolith biochronologies of sardine (</b><b><i>Sardinops sagax</i></b><b><i>)</i></b>

description: Sardines (<i>Sardinops sagax)</i> of the southern Benguela have shown substantial changes in population size over the past 70 years. A large population that initially supported high catches collapsed in the early 1960s, recovered in the 1990s and was again large in the early-2000s, and then collapsed again, the last collapse associated with a change in distribution. We developed a robust otolith biochronology of annual increment width to infer long-term growth patterns of sardine using 849 otoliths archived in South Africa from 1966 to 2019. All archived otoliths used were sourced from the Department of Forestry, Fisheries and the Environment (DFFE) in South Africa. Moreover, only archived otoliths originating from sardines caught west of Cape Agulhas were used for increment analysis. The archived otoliths stems from DFFE annual surveys in November as well as commercial port samples. The annual November hydro-acoustic pelagic biomass survey was conducted on board FRS Africana and covered the entire shelf area between Hondeklip Bay on the west coast and Port Alfred on the southeast coast. Commercial port otolith samples were taken from ports sampled west of Cape Agulhas off commercial purse-seine vessels. Thus, events are titled according to the transect station of the hydro-acoustic biomass survey (e.g. 29-05A) or the sampling port station from commercial catches (e.g. Gansbaai).Biological measurement obtained from archived otolith (if available) were recorded such as total lengths (TL ± 0.01 mm), month, year and station number. The sagittal otoliths were mounted whole in black Perspex plate moulds and embedded in epoxy resin. Calibrated images of the sardine otoliths were taken using Zeiss Stemi 508 stereo microscope that is fitted with a Carl Zeiss Axiocam 208 colour camera. In order to assess the age of sardine at a given length, otolith annual growth increments were counted (core to edge) along the otolith's largest radius using a Zeiss Stemi 508 stereo microscope 320× magnification. We analysed a total of 787 otolith images using ObjectJ which is an ImageJ plugin (http://imagej.nih.gov/ij/). The length of each annual increment on the along the post-rostrum axis of the otolith from the nucleus to posterior edge.<br>Linear mixed effect models were applied to separate intrinsic (within individual) and extrinsic (by year – e.g. population density, environment) factors to estimate mean annual growth for fish older than 1 year (&gt;1 years) refer to table with sardine predicted growth. The increment widths were recorded together with its year when the increment was formed (calendar year), and age at the time of increment formation (Age) for each fish (refer to table with otolith incremental data).Project(s): TRIATLAS (Tropical and South Atlantic Climate-based Marine Ecosystem Prediction for Sustainable Management)
DOI: 10.6084/m9.figshare.26955688.v1
title: <b>Unveiling Ecosystem Shifts in the southern Benguela through otolith biochronologies of sardine (</b><b><i>Sardinops sagax</i></b><b><i>)</i></b>

description: Sardines (<i>Sardinops sagax)</i> of the southern Benguela have shown substantial changes in population size over the past 70 years. A large population that initially supported high catches collapsed in the early 1960s, recovered in the 1990s and was again large in the early-2000s, and then collapsed again, the last collapse associated with a change in distribution. We developed a robust otolith biochronology of annual increment width to infer long-term growth patterns of sardine using 849 otoliths archived in South Africa from 1966 to 2019. All archived otoliths used were sourced from the Department of Forestry, Fisheries and the Environment (DFFE) in South Africa. Moreover, only archived otoliths originating from sardines caught west of Cape Agulhas were used for increment analysis. The archived otoliths stems from DFFE annual surveys in November as well as commercial port samples. The annual November hydro-acoustic pelagic biomass survey was conducted on board FRS Africana and covered the entire shelf area between Hondeklip Bay on the west coast and Port Alfred on the southeast coast. Commercial port otolith samples were taken from ports sampled west of Cape Agulhas off commercial purse-seine vessels. Thus, events are titled according to the transect station of the hydro-acoustic biomass survey (e.g. 29-05A) or the sampling port station from commercial catches (e.g. Gansbaai).Biological measurement obtained from archived otolith (if available) were recorded such as total lengths (TL ± 0.01 mm), month, year and station number. The sagittal otoliths were mounted whole in black Perspex plate moulds and embedded in epoxy resin. Calibrated images of the sardine otoliths were taken using Zeiss Stemi 508 stereo microscope that is fitted with a Carl Zeiss Axiocam 208 colour camera. In order to assess the age of sardine at a given length, otolith annual growth increments were counted (core to edge) along the otolith's largest radius using a Zeiss Stemi 508 stereo microscope 320× magnification. We analysed a total of 787 otolith images using ObjectJ which is an ImageJ plugin (http://imagej.nih.gov/ij/). The length of each annual increment on the along the post-rostrum axis of the otolith from the nucleus to posterior edge.<br>Linear mixed effect models were applied to separate intrinsic (within individual) and extrinsic (by year – e.g. population density, environment) factors to estimate mean annual growth for fish older than 1 year (&gt;1 years) refer to table with sardine predicted growth. The increment widths were recorded together with its year when the increment was formed (calendar year), and age at the time of increment formation (Age) for each fish (refer to table with otolith incremental data).Project(s): TRIATLAS (Tropical and South Atlantic Climate-based Marine Ecosystem Prediction for Sustainable Management)
DOI: 10.15468/dl.s8rw7y
title: Occurrence Download

description: A dataset containing 11466441 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Ecuador",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 11466441 records from 1387 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000156-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17731916
title: COVID-19-Todesfälle in Deutschland

description: Im Datensatz "COVID-19-Todesfälle in Deutschland" des Robert Koch-Instituts werden täglich aktualisierte Informationen zu COVID-19-bedingten Todesfällen in Deutschland bereitgestellt. Die Datenerhebung erfolgt im Rahmen des Infektionsschutzgesetzes (IfSG). Der Datensatz umfasst aggregierte Todesfallzahlen nach Berichtsdatum, Altersgruppen und Bundesländern und wird ergänzt durch den Fall-Verstorbenen-Anteil. Der Datensatz ermöglicht fundierte Analysen zur Bewertung der Krankheitsschwere und Verbreitung von COVID-19 in Deutschland.
DOI: 10.5281/zenodo.17731915
title: 7-Tage-Inzidenz der COVID-19-Fälle in Deutschland

description: Im Datensatz "7-Tage-Inzidenz der COVID-19-Fälle in Deutschland" des Robert Koch-Instituts werden die täglich aktualisierten COVID-19-Inzidenzen auf Bundes-, Landes- und Landkreisebene basierend auf den Meldungen nach dem Infektionsschutzgesetz (IfSG) bereitgestellt. Die 7-Tage-Inzidenz wird definiert als Anzahl gemeldeter Fälle der letzten sieben Tage pro 100.000 Einwohner:innen und differenziert nach Altersgruppen und Regionen. Die Datenverarbeitung erfolgt vollständig elektronisch über das Deutsche Elektronische Melde- und Informationssystem (DEMIS).
DOI: 10.15468/dl.due5fq
title: Occurrence Download

description: A dataset containing 157860 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Gambusia holbrooki, Mugilogobius wilsoni, Xiphophorus maculatus, Chelon planiceps, Chenonetta jubata, Gracilimugil argenteus, Anguilla reinhardtii, Pseudomugil signifer, Rhincodon typus, Mugil cephalus)",
 "StateProvince is Queensland",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Occurrence evidence, Material sample, Human Observation, Specimen, Machine Observation, Observation)"
 ]
}

 The dataset includes 157860 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011306-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17730824
title: Dataset of Toward Intelligent Communication Systems for High-Speed Railway

description: This dataset contains the complete list of 352 scientific articles analyzed in the study “Toward Intelligent Communication Systems for High-Speed Railway: Themes, Challenges, and Future Perspectives.” The dataset was compiled to support a bibliometric and thematic analysis of High-Speed Railway (HSR) communication systems, covering publications from 2005 to 2024.
DOI: 10.5281/zenodo.17730825
title: Dataset of Toward Intelligent Communication Systems for High-Speed Railway

description: This dataset contains the complete list of 352 scientific articles analyzed in the study “Toward Intelligent Communication Systems for High-Speed Railway: Themes, Challenges, and Future Perspectives.” The dataset was compiled to support a bibliometric and thematic analysis of High-Speed Railway (HSR) communication systems, covering publications from 2005 to 2024.
DOI: 10.15468/dl.qxzxqp
title: Occurrence Download

description: A dataset containing 136 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "RecordedBy is one of (Dr. Mertens, Dr. Mertens (no. cf. 26), Dr. Mertens (no. s.n.), Dr. Mertens., Dr. Merten, Mertens C.)"
 ]
}

 The dataset includes 136 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011327-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s63yac
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "Country is Peru",
 "GadmGid is PER.3_1",
 "TaxonKey is Azorella"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011328-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7910/dvn/zv3afj
title: RCSB PDB 5GGS: PD-1 in complex with pembrolizumab Fab, 311K, 38°C, 500 ns: random seed #1.

description: RCSB PDB 5GGS: PD-1 in complex with pembrolizumab Fab, 311K, 38°C, 500 ns: random seed #1. PDBs obtained every 50 ns.
DOI: 10.7910/dvn/wjpia4
title: RCSB PDB 5GGS: PD-1 in complex with pembrolizumab Fab, 312K, 39°C, 500 ns: random seed #1

description: RCSB PDB 5GGS: PD-1 in complex with pembrolizumab Fab, 312K, 39°C, 500 ns: random seed #1. PDBs obtained every 50 ns.
DOI: 10.7910/dvn/wlfxjv
title: RCSB PDB 5GGS: PD-1 in complex with pembrolizumab Fab, 313K, 40°C, 500 ns: random seed #1.

description: RCSB PDB 5GGS: PD-1 in complex with pembrolizumab Fab, 313K, 40°C, 500 ns: random seed #1. PDBs obtained every 50 ns.
DOI: 10.15468/dl.mc73ya
title: Occurrence Download

description: A dataset containing 11436 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Bradypus"
 ]
}

 The dataset includes 11436 records from 223 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011329-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wh2h4w
title: Occurrence Download

description: A dataset containing 1254 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is one of (United States of America, Canada)",
 "Issue is Geodetic datum assumed WGS84",
 "TaxonKey is Potamogeton zosteriformis"
 ]
}

 The dataset includes 1254 records from 69 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011330-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2pwhtz
title: Occurrence Download

description: A dataset containing 180940 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Melanerpes aurifrons",
 "Year is one of (1985, 1986, 1987, 1988, 1989, 1990, 1991, 1992, 1993, 1994, 1995, 1996, 1997, 1998, 1999, 2000, 2001, 2002, 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011, 2012, 2013, 2014, 2015)",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is Human Observation"
 ]
}

 The dataset includes 180940 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011302-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nwtyex
title: Occurrence Download

description: A dataset containing 134303687 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is iNaturalist Research-grade Observations"
 ]
}

 The dataset includes 134303687 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011275-251120083545085/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.30730984
title: A surrogate barrier model for high-throughput blood-brain barrier permeability prediction: integrating LLC-PK1-MOCK/MDR1 Cells and lysosomal trapping correction

description: To mitigate risks in central nervous system (CNS) drug development, we established a high-throughput in vitro blood-brain barrier (BBB) model using LLC-PK1-MOCK and LLC-PK1-MDR1 cells in a Transwell system, aiming to replicate in vivo brain distribution and elucidate permeability mechanisms. Model integrity was assessed via transepithelial electrical resistance (TEER) and efflux functionality using control drugs (atenolol, digoxin). Bidirectional transport studies of 41 compounds quantified permeability (P<sub>app</sub>), efflux ratios (ER), and recoveries, while in vivo brain distribution parameters (K<sub><i>p</i>,uu,brain</sub>) were derived from literature and rat studies. The model demonstrated critical BBB features: tight junction integrity (TEER &gt; 70 Ω·cm<sup>2</sup>), <i>P</i>-gp efflux activity (digoxin ER = 5.10 ~ 17.12), and discrimination of passive diffusion (63.41% of drugs) from transporter-mediated mechanisms (19.5% <i>P</i>-gp substrates). A training set of 20 randomly selected drugs revealed a robust correlation between MDR1-derived P<sub>app(A-B)</sub> and K<sub><i>p</i>,uu,brain</sub> (R = 0.8886), with the remaining 21 compounds validating predictive accuracy (≤2-fold error). Four alkaloids exhibiting low recovery (&lt;80%) due to lysosomal trapping were corrected using Bafilomycin A1, aligning their permeability with in vivo outcomes. These results position the LLC-PK1-MOCK/MDR1 model as a reliable surrogate tool for early CNS drug screening, enabling rapid prioritization of candidates based on BBB penetration potential. Its integration into preclinical workflows promises to accelerate the development of therapeutics for neurological disorders. The development of physiologically relevant in vitro BBB models is pivotal to overcoming the high attrition rates in CNS drug discovery. Our study establishes a robust, high-throughput surrogate barrier model using LLC-PK1-MOCK/MDR1 cells in a Transwell system. This model recapitulates critical BBB features, including increased paracellular tightness and <i>P</i>-gp transporter functionality. It also addresses longstanding limitations of intracellular drug accumulation by lysosomal trapping. By validating the model with 41 structurally diverse compounds and correlating in vitro permeability (P<sub>app</sub>) to in vivo brain distribution (K<sub><i>p</i>,uu,brain</sub>), we demonstrate its predictive accuracy and utility in distinguishing passive diffusion, transporter-mediated efflux, and lysosomal sequestration mechanisms. This cost and time -efficient platform streamlines early-stage CNS drug screening, enabling rapid identification of brain-penetrant candidates and reducing reliance on resource-intensive in vivo studies.
DOI: 10.6084/m9.figshare.30730984.v1
title: A surrogate barrier model for high-throughput blood-brain barrier permeability prediction: integrating LLC-PK1-MOCK/MDR1 Cells and lysosomal trapping correction

description: To mitigate risks in central nervous system (CNS) drug development, we established a high-throughput in vitro blood-brain barrier (BBB) model using LLC-PK1-MOCK and LLC-PK1-MDR1 cells in a Transwell system, aiming to replicate in vivo brain distribution and elucidate permeability mechanisms. Model integrity was assessed via transepithelial electrical resistance (TEER) and efflux functionality using control drugs (atenolol, digoxin). Bidirectional transport studies of 41 compounds quantified permeability (P<sub>app</sub>), efflux ratios (ER), and recoveries, while in vivo brain distribution parameters (K<sub><i>p</i>,uu,brain</sub>) were derived from literature and rat studies. The model demonstrated critical BBB features: tight junction integrity (TEER &gt; 70 Ω·cm<sup>2</sup>), <i>P</i>-gp efflux activity (digoxin ER = 5.10 ~ 17.12), and discrimination of passive diffusion (63.41% of drugs) from transporter-mediated mechanisms (19.5% <i>P</i>-gp substrates). A training set of 20 randomly selected drugs revealed a robust correlation between MDR1-derived P<sub>app(A-B)</sub> and K<sub><i>p</i>,uu,brain</sub> (R = 0.8886), with the remaining 21 compounds validating predictive accuracy (≤2-fold error). Four alkaloids exhibiting low recovery (&lt;80%) due to lysosomal trapping were corrected using Bafilomycin A1, aligning their permeability with in vivo outcomes. These results position the LLC-PK1-MOCK/MDR1 model as a reliable surrogate tool for early CNS drug screening, enabling rapid prioritization of candidates based on BBB penetration potential. Its integration into preclinical workflows promises to accelerate the development of therapeutics for neurological disorders. The development of physiologically relevant in vitro BBB models is pivotal to overcoming the high attrition rates in CNS drug discovery. Our study establishes a robust, high-throughput surrogate barrier model using LLC-PK1-MOCK/MDR1 cells in a Transwell system. This model recapitulates critical BBB features, including increased paracellular tightness and <i>P</i>-gp transporter functionality. It also addresses longstanding limitations of intracellular drug accumulation by lysosomal trapping. By validating the model with 41 structurally diverse compounds and correlating in vitro permeability (P<sub>app</sub>) to in vivo brain distribution (K<sub><i>p</i>,uu,brain</sub>), we demonstrate its predictive accuracy and utility in distinguishing passive diffusion, transporter-mediated efflux, and lysosomal sequestration mechanisms. This cost and time -efficient platform streamlines early-stage CNS drug screening, enabling rapid identification of brain-penetrant candidates and reducing reliance on resource-intensive in vivo studies.
DOI: 10.15468/dl.599n23
title: Occurrence Download

description: A dataset containing 376100 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Madagascar",
 "Geometry POLYGON((48.21627 -18.84642,48.17955 -18.96066,48.28053 -19.05756,48.50595 -19.14528,48.7273 -19.02186,48.71506 -18.82296,48.46005 -18.59141,48.26319 -18.65057,48.21627 -18.84642))",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 376100 records from 347 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011324-251120083545085/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.29117735
title: <b>Fungus gnat pollination of the inconspicuous orchid </b><b><i>Conchidium muscicola</i></b><b> in the rainy season of southern Yunnan, China</b>

description: <b>Fungus gnat pollination of the inconspicuous orchid </b><b><i>Conchidium muscicola</i></b><b> in the rainy season of southern Yunnan, China</b>
DOI: 10.6084/m9.figshare.29117735.v3
title: <b>Fungus gnat pollination of the inconspicuous orchid </b><b><i>Conchidium muscicola</i></b><b> in the rainy season of southern Yunnan, China</b>

description: <b>Fungus gnat pollination of the inconspicuous orchid </b><b><i>Conchidium muscicola</i></b><b> in the rainy season of southern Yunnan, China</b>
DOI: 10.6084/m9.figshare.29117735.v2
title: <b>Two </b><b>inconspicuous </b><b>orchids are pollinated by fungus flies (</b><b>Sciaridae</b><b>) in southern Yunnan, China</b>

description: <b>Two </b><b>inconspicuous </b><b>orchids are pollinated by fungus flies (</b><b>Sciaridae</b><b>) in southern Yunnan, China</b>