cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2k9jcs
title: CCDC 2362645: Experimental Crystal Structure Determination

description: Related Article: Wowk, Vincent, Guillot, Régis|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: 10.5517/ccdc.csd.cc2kb4hk
title: CCDC 2363238: Experimental Crystal Structure Determination

description: Related Article: Yoann Rousselin|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: 10.5281/zenodo.13903876
title: Oxyresveratrol datasets

description: Continuous Rotation (Anhydrate_Oxyresveratrol)
 


Project
NanED (www.naned.eu)


Instrumental
 


Instrument
Zeiss Libra 120


Radiation source
LaB6


Accelerating voltage
120 kV


Wavelength
0.0335 Å


Probe Type
Nanodiffraction


Beam Diameter
600 nm


Beam Convergence
Parallel beam


Detector
Timepix Single Electron Detector


Number of pixels in the image
512 x 512


Physical pixel size
55 µm * 55 µm


Effective camera length
180 mm


Calibration constant
0.006027 Å-1/pixel


 
 


Sample description
 


Name
Anhydrate Oxyresveratrol


Chemical composition
C14H12O4


Sample source
Sigma


Sample preparation
Crushed between two glass slides before deposition on a Cu grid.


Experimental
 


Data type
3D Electron Diffraction (3D ED)


Data collection method
Continuous Rotation Electron Diffraction (CRED)


Rotation Speed
1.12º/s


Temperature
293 K


Number of crystals contributing to the dataset
1


Number of experimental frames
199


Tilt range, tilt step
-54.85º to +60.49º


Exposure time per frame
500ms


 
 


Software
 


Software used for data collection
WinTEM (Zeiss), LibraEDT


Software used for processing
Pets2


Software used for solution
Shelxt


Software used for refinement
Jana2020


 
 


Precession:
 


Instrumental
 


Instrument
Zeiss Libra 120


Radiation source
LaB6


Accelerating voltage
120 kV


Wavelength
0.0335 Å


Probe Type
Nanodiffraction


Beam Diameter
150 nm


Beam Convergence
Parallel beam


Detector
Timepix Single Electron Detector


Number of pixels in the image
512 x 512


Physical pixel size
55 µm * 55 µm


Effective camera length
144 mm


Calibration constant
0.006027 Å-1/pixel


 
 


Sample description
 


Name
Hydrate Oxyresveratrol


Chemical composition
C14H12O4.2H2O


Sample source
Sigma


Sample preparation
Cryoplunge freezing


 
 


Experimental
 


Data type
3D Electron Diffraction (3D-ED)


Data collection method
Precession


Precession Semiangle
1º  


Temperature
93 K


Number of crystals contributing to the dataset
1


Number of experimental frames
91


Tilt range, tilt step
-30º to +60, 1º


Exposure time per frame
1s


 
 


Software
 


Software used for data collection
WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)


Software used for processing
PETS2


Software used for solution
SIR2019


Software used for refinement
Jana2020
DOI: 10.5281/zenodo.13903877
title: Oxyresveratrol datasets

description: Continuous Rotation (Anhydrate_Oxyresveratrol)
 


Project
NanED (www.naned.eu)


Instrumental
 


Instrument
Zeiss Libra 120


Radiation source
LaB6


Accelerating voltage
120 kV


Wavelength
0.0335 Å


Probe Type
Nanodiffraction


Beam Diameter
600 nm


Beam Convergence
Parallel beam


Detector
Timepix Single Electron Detector


Number of pixels in the image
512 x 512


Physical pixel size
55 µm * 55 µm


Effective camera length
180 mm


Calibration constant
0.006027 Å-1/pixel


 
 


Sample description
 


Name
Anhydrate Oxyresveratrol


Chemical composition
C14H12O4


Sample source
Sigma


Sample preparation
Crushed between two glass slides before deposition on a Cu grid.


Experimental
 


Data type
3D Electron Diffraction (3D ED)


Data collection method
Continuous Rotation Electron Diffraction (CRED)


Rotation Speed
1.12º/s


Temperature
293 K


Number of crystals contributing to the dataset
1


Number of experimental frames
199


Tilt range, tilt step
-54.85º to +60.49º


Exposure time per frame
500ms


 
 


Software
 


Software used for data collection
WinTEM (Zeiss), LibraEDT


Software used for processing
Pets2


Software used for solution
Shelxt


Software used for refinement
Jana2020


 
 


Precession:
 


Instrumental
 


Instrument
Zeiss Libra 120


Radiation source
LaB6


Accelerating voltage
120 kV


Wavelength
0.0335 Å


Probe Type
Nanodiffraction


Beam Diameter
150 nm


Beam Convergence
Parallel beam


Detector
Timepix Single Electron Detector


Number of pixels in the image
512 x 512


Physical pixel size
55 µm * 55 µm


Effective camera length
144 mm


Calibration constant
0.006027 Å-1/pixel


 
 


Sample description
 


Name
Hydrate Oxyresveratrol


Chemical composition
C14H12O4.2H2O


Sample source
Sigma


Sample preparation
Cryoplunge freezing


 
 


Experimental
 


Data type
3D Electron Diffraction (3D-ED)


Data collection method
Precession


Precession Semiangle
1º  


Temperature
93 K


Number of crystals contributing to the dataset
1


Number of experimental frames
91


Tilt range, tilt step
-30º to +60, 1º


Exposure time per frame
1s


 
 


Software
 


Software used for data collection
WinTEM (Zeiss), Digistar (NanoMEGAS) and Sophy (Software for Physics)


Software used for processing
PETS2


Software used for solution
SIR2019


Software used for refinement
Jana2020
DOI: 10.15468/dl.nfupz7
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Lepanthes mekynochila Garay & Dunst."
 ]
}

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002932-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/9577533
title: Mahanagar Yatayat Transport Dataset
DOI: 10.15468/dl.uucnm4
title: Occurrence Download

description: A dataset containing 8643 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "OccurrenceStatus is Present",
 "TaxonKey is Megathyrsus maximus (Jacq.) B.K.Simon & S.W.L.Jacobs"
 ]
}

 The dataset includes 8643 records from 204 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002934-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.87nedu
title: Occurrence Download

description: A dataset containing 9261 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Bombus lucorum (Linnaeus, 1761)",
 "PhylumKey is Arthropoda",
 "Year is greater than or equal to 2010",
 "Year is less than or equal to 2012"
 ]
}

 The dataset includes 9261 records from 110 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002935-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xvsvkj
title: Occurrence Download

description: A dataset containing 187 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is one of (Halcyon cinnamomina Swainson, 1821, Todiramphus pelewensis (Wiglesworth, 1891), Todiramphus reichenbachii Hartlaub, 1852)"
 ]
}

 The dataset includes 187 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002936-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2fx23n
title: Occurrence Download

description: A dataset containing 308 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cyclopia intermedia E.Mey."
 ]
}

 The dataset includes 308 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002937-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5284/1117710
title: Site Data from an Archaeological Evaluation and Excavation at St Dominic's Residential Home, London Road, Kelvedon, Essex, March 2023

description: This collection comprises images, reports, site plans, and site records from an archaeological evaluation and excavation carried out by Colchester Archaeological Trust at St Dominic's Residential Home, London Road, Kelvedon, Essex in March 2023.
DOI: 10.5281/zenodo.13136894
title: Data for: JWST COMPASS: A NIRSpec/G395H Transmission Spectrum of the Sub-Neptune TOI-836c

description: Data and models presented in "JWST COMPASS: A NIRSpec/G395H Transmission Spectrum of the Sub-Neptune TOI-836c"



Transmission spectra from all three reductions presented

Fitted white light curves from all three reductions

Fitted spectroscopic light curves from the main Eureka! reduction

PICASO models presented in Figure 11


Manuscript: Wallack et al. 2024 (DOI: 10.3847/1538-3881/ad3917)
DOI: 10.5281/zenodo.13136895
title: Data for: JWST COMPASS: A NIRSpec/G395H Transmission Spectrum of the Sub-Neptune TOI-836c

description: Data and models presented in "JWST COMPASS: A NIRSpec/G395H Transmission Spectrum of the Sub-Neptune TOI-836c"



Transmission spectra from all three reductions presented

Fitted white light curves from all three reductions

Fitted spectroscopic light curves from the main Eureka! reduction

PICASO models presented in Figure 11


Manuscript: Wallack et al. 2024 (DOI: 10.3847/1538-3881/ad3917)
DOI: 10.5281/zenodo.12804227
title: Real-time monitoring of a 3D blood-brain barrier model maturation and integrity with a sensorized microfluidic device

description: A significant challenge in the treatment of central nervous system (CNS) disorders is represented by the presence of the blood-brain barrier (BBB), a highly selective membrane that regulates molecular transport and restricts the passage of pathogens and therapeutic compounds. Traditional in vivo models are constrained by high costs, lengthy experimental timelines, ethical concerns, and interspecies variations. In vitro models, particularly microfluidic BBB-on-a-chip devices, have been developed to address these limitations. These advanced models aim to more accurately replicate human BBB conditions by incorporating human cells and physiological flow dynamics. In this framework, here we developed an innovative microfluidic system that integrates thin-film electrodes for non-invasive, real-time monitoring of BBB integrity using electrochemical impedance spectroscopy (EIS). EIS measurements showed frequency-dependent impedance changes, indicating BBB integrity and distinguishing well-formed from non-mature barriers. The data from EIS monitoring was confirmed by permeability assays performed with a fluorescence tracer. The model incorporates human endothelial cells in a vessel-like arrangement to mimic the vascular component and three-dimensional cell distribution of human astrocytes and microglia to simulate the parenchymal compartment. By modeling the BBB-on-a-chip with an equivalent circuit, a more accurate trans-endothelial electrical resistance (TEER) value was extracted. The device demonstrated successful BBB formation and maturation, confirmed through live/dead assays, immunofluorescence and permeability assays. Computational fluid dynamics (CFD) simulations confirmed that the device mimics in vivo shear stress conditions. Drug crossing assessment was performed with two chemotherapy drugs: doxorubicin, with a known poor BBB penetration, and temozolomide, conversely specific drug for CNS disorders and able to cross the BBB, to validate the model predictive capability for drug crossing behavior. The proposed sensorized microfluidic device represents a significant advancement in BBB modeling, offering a versatile platform for CNS drug development, disease modeling, and personalized medicine.
DOI: 10.5281/zenodo.13890558
title: Code für die Bearbeitung der Verfügbaren Speleothem and Permafrost-Model Data für die Masterarbeit: "Speläotheme als globale Permafrostproxies"

description: Der benutzte Code für die Bearbeitung und Darstellung der Speläothem-Datensätze und die Permafrost-Modelle. Die Datengrundlage der Speläothem-Daten und der Permafrost Modelle AWI-ESM und S21 werden für die Bearbeitung benötigt. Authoren, bzw. Ansprechpartner für die jeweilgen Daten sind im Literaturverzeichnis der Arbeit zu finden.
DOI: 10.5281/zenodo.13904551
title: Code für die Bearbeitung der Verfügbaren Speleothem and Permafrost-Model Data für die Masterarbeit: "Speläotheme als globale Permafrostproxies"

description: Der benutzte Code für die Bearbeitung und Darstellung der Speläothem-Datensätze und die Permafrost-Modelle. Die Datengrundlage der Speläothem-Daten und der Permafrost Modelle AWI-ESM und S21 werden für die Bearbeitung benötigt. Authoren, bzw. Ansprechpartner für die jeweilgen Daten sind im Literaturverzeichnis der Arbeit zu finden.
DOI: 10.15468/dl.64ny3y
title: Occurrence Download

description: A dataset containing 31192 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Geometry POLYGON((-4.93253 36.51252,-5.19174 37.0175,-5.58057 37.08333,-6.07543 37.10213,-6.41123 36.75835,-6.1638 36.38457,-5.97528 36.16134,-5.53344 36.00899,-5.25655 36.15659,-5.13872 36.38932,-4.93253 36.51252))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 31192 records from 123 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002938-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6gu7wr
title: Occurrence Download

description: A dataset containing 25381 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is iNaturalist Research-grade Observations",
 "Geometry POLYGON((-140.45203 2.56629,-91.14333 2.56629,-91.14333 62.32245,-140.45203 62.32245,-140.45203 2.56629))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Phrynosoma Wiegmann, 1828"
 ]
}

 The dataset includes 25381 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002939-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.77p6dm
title: Occurrence Download

description: A dataset containing 1926978 species occurrences available in GBIF matching the query:
{
 "and" : [
 "SpeciesKey is one of (Anas acuta Linnaeus, 1758)",
 "BasisOfRecord is one of (Human Observation, Observation, Occurrence evidence)",
 "Year is greater than or equal to 1901",
 "Year is less than or equal to 2019",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 1926978 records from 754 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002928-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5284/1117707
title: Site Data from an Archaeological Evaluation and Excavation at Springwood, Rectory Road, Latchingdon, Essex, May 2023

description: This collection comprises images, reports, site plans, and site records from and archaeological evaluation and excavation carried out by Colchester Archaeological Trust at Springwood, Rectory Road, Latchingdon, Essex in May 2023 in advance of a new residential development.
DOI: 10.15468/dl.bmpejr
title: Occurrence Download

description: A dataset listing the 38 species recorded in GBIF matching the query:
{
 "DatasetKey" : [
 "is Monitoreo de aves rapaces y no rapaces en una plantación de paltos y almendros, comuna de Paine, Región Metropolitana de Santiago, Chile."
 ]
}

 The dataset's 38 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002926-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13864533
title: Data covering Q10 and soil physicochemical properties of China's forest ecosystems

description: Data including experiment description, site geographic location, climate variables, initial edaphic variables, and factors related to substrate quality, substrate availability, and microbial properties both before and after the treatments.
DOI: 10.5281/zenodo.13864532
title: Data covering Q10 and soil physicochemical properties of China's forest ecosystems

description: Data including experiment description, site geographic location, climate variables, initial edaphic variables, and factors related to substrate quality, substrate availability, and microbial properties both before and after the treatments.
DOI: 10.5281/zenodo.13894526
title: Data covering Q10 and soil physicochemical properties of China's forest ecosystems

description: Data including experiment description, site geographic location, climate variables, initial edaphic variables, and factors related to substrate quality, substrate availability, and microbial properties both before and after the treatments.
DOI: 10.5281/zenodo.13903847
title: Data covering Q10 and soil physicochemical properties of China's forest ecosystems

description: Data including experiment description, site geographic location, climate variables, initial edaphic variables, and factors related to substrate quality, substrate availability, and microbial properties both before and after the treatments.
DOI: 10.5281/zenodo.13904583
title: Data covering Q10 and soil physicochemical properties of China's forest ecosystems

description: Data including experiment description, site geographic location, climate variables, initial edaphic variables, and factors related to substrate quality, substrate availability, and microbial properties both before and after the treatments.
DOI: 10.6084/m9.figshare.25603151
title: Production of hydroxylated polybrominated diphenyl ethers (OH-PBDEs) from bromophenols in natural and engineered processes

description: The emerging environmental pollutant hydroxylated polybrominated diphenyl ethers (OH-PBDEs) have been of particular concern in recent years due to their ubiquitous distribution in environmental matrices and adverse health effects. Since there is no industrial-scale manufacturing of OH-PBDEs, their origins are inconclusive and not fully understood, thus triggering extensive discussions among the academic community. Recently, the polymerization of simple bromophenols (BrPs) has been identified as an important origin of OH-PBDEs, which are widely reported in various oxidation processes. This review comprehensively surveyed previous studies about OH-PBDEs formation from BrPs precursors in both natural (e.g., photochemical processes, naturally occurring manganese oxides, enzymes-mediated oxidation) and engineered processes (e.g., ozonation, chlorination, permanganate/ferrate associated oxidation, radicals based oxidation, nonradically activated persulfates). Generally, oxidative coupling reactions of bromophenoxyl radicals resulting from BrPs were recognized as the main mechanism for OH-PBDEs formation, which were discussed emphatically by combining theoretical calculations with the experimental evidence. Some discrepancies were found in interpreting the preferential coupling pathway of bromophenoxyl radicals according to different calculation methods. So, further efforts are needed to use advanced analytical methods for sensitive identification of OH-PBDEs to better evaluate the formation potentials of diverse OH-PBDEs from BrPs. Carbon materials associated oxidation technologies (e.g., carbon nanotube activated ferrate or persulfates) may be applied as a promising method for controlling OH-PBDEs during treatment of BrPs-containing waters. Overall, this review reveals a prevalent phenomenon of BrPs transformation to OH-PBDEs and meanwhile advances the mechanistic understanding. Moreover, the knowledge gaps are identified and some recommendations are proposed for future studies.
DOI: 10.6084/m9.figshare.25603151.v1
title: Production of hydroxylated polybrominated diphenyl ethers (OH-PBDEs) from bromophenols in natural and engineered processes

description: The emerging environmental pollutant hydroxylated polybrominated diphenyl ethers (OH-PBDEs) have been of particular concern in recent years due to their ubiquitous distribution in environmental matrices and adverse health effects. Since there is no industrial-scale manufacturing of OH-PBDEs, their origins are inconclusive and not fully understood, thus triggering extensive discussions among the academic community. Recently, the polymerization of simple bromophenols (BrPs) has been identified as an important origin of OH-PBDEs, which are widely reported in various oxidation processes. This review comprehensively surveyed previous studies about OH-PBDEs formation from BrPs precursors in both natural (e.g., photochemical processes, naturally occurring manganese oxides, enzymes-mediated oxidation) and engineered processes (e.g., ozonation, chlorination, permanganate/ferrate associated oxidation, radicals based oxidation, nonradically activated persulfates). Generally, oxidative coupling reactions of bromophenoxyl radicals resulting from BrPs were recognized as the main mechanism for OH-PBDEs formation, which were discussed emphatically by combining theoretical calculations with the experimental evidence. Some discrepancies were found in interpreting the preferential coupling pathway of bromophenoxyl radicals according to different calculation methods. So, further efforts are needed to use advanced analytical methods for sensitive identification of OH-PBDEs to better evaluate the formation potentials of diverse OH-PBDEs from BrPs. Carbon materials associated oxidation technologies (e.g., carbon nanotube activated ferrate or persulfates) may be applied as a promising method for controlling OH-PBDEs during treatment of BrPs-containing waters. Overall, this review reveals a prevalent phenomenon of BrPs transformation to OH-PBDEs and meanwhile advances the mechanistic understanding. Moreover, the knowledge gaps are identified and some recommendations are proposed for future studies.