cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7756131
title: dma-pubchem-db: SQLite database of PubChem CID compounds merged by InChIKey for Deep Metabolome Annotation (DMA)

description: PubChem CID SQLite Database (Extracted 27 August 2019)

This SQLite database contains PubChem compound information (CID-based) extracted on 27 August 2019.

Compounds sharing the same InChIKey have been merged into single entries.

Use in Deep Metabolome Annotation (DMA) of Daphnia magna

This database was used for Deep Metabolome Annotation (DMA) of D. magna in the following tools and packages:





msPurity (R package)Repository: https://github.com/computational-metabolomics/msPurityFunction: combineAnnotation




msPurity Galaxy toolsRepository: https://github.com/computational-metabolomics/msPurity-galaxyTool: msPurity.combineAnnotation




LC Fractionation Galaxy toolRepository: https://github.com/computational-metabolomics/lcfrac-galaxyUsed for: combine-annotation functionality within the workflow



The database was applied in the DMA workflows available in the Galaxy instance:https://dma.galaxy.bham.ac.uk/

HMDB similarity comparisons

The database includes precomputed structural similarity between PubChem compounds and a curated subset of endogenous HMDB compounds (HMDB entries were filtered to remove clearly exogenous metabolites, such as drug metabolites). Molecular fingerprints were compared using Tanimoto similarity.

This provides a simple structural proxy for assessing whether a given PubChem compound can be considered biologically relevant.
DOI: 10.5281/zenodo.7756132
title: dma-pubchem-db: SQLite database of PubChem CID compounds merged by InChIKey for Deep Metabolome Annotation (DMA)

description: PubChem CID SQLite Database (Extracted 27 August 2019)

This SQLite database contains PubChem compound information (CID-based) extracted on 27 August 2019.

Compounds sharing the same InChIKey have been merged into single entries.

Use in Deep Metabolome Annotation (DMA) of Daphnia magna

This database was used for Deep Metabolome Annotation (DMA) of D. magna in the following tools and packages:





msPurity (R package)Repository: https://github.com/computational-metabolomics/msPurityFunction: combineAnnotation




msPurity Galaxy toolsRepository: https://github.com/computational-metabolomics/msPurity-galaxyTool: msPurity.combineAnnotation




LC Fractionation Galaxy toolRepository: https://github.com/computational-metabolomics/lcfrac-galaxyUsed for: combine-annotation functionality within the workflow



The database was applied in the DMA workflows available in the Galaxy instance:https://dma.galaxy.bham.ac.uk/

HMDB similarity comparisons

The database includes precomputed structural similarity between PubChem compounds and a curated subset of endogenous HMDB compounds (HMDB entries were filtered to remove clearly exogenous metabolites, such as drug metabolites). Molecular fingerprints were compared using Tanimoto similarity.

This provides a simple structural proxy for assessing whether a given PubChem compound can be considered biologically relevant.
DOI: 10.13018/bmr51566
title: Chemical Shift Assignment of Inhibitor-3
DOI: 10.13018/bmr51567
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3A
DOI: 10.13018/bmr51568
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3E
DOI: 10.17632/wnf6r7jjwk
title: Experimenting with a Prompt-Based AI Examiner for Inventive Step Determination

description: This data is research data referring to the results of observations, including useful materials related to the prompt-based AI examiner for inventive step determination.
DOI: 10.13018/bmr51569
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3F
DOI: 10.17632/wnf6r7jjwk.2
title: Experimenting with a Prompt-Based AI Examiner for Inventive Step Determination

description: This data is research data referring to the results of observations, including useful materials related to the prompt-based AI examiner for inventive step determination.
DOI: 10.13018/bmr51570
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3H
DOI: 10.13018/bmr51571
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3I
DOI: 10.15468/dl.gecghd
title: Occurrence Download

description: A dataset containing 531 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Solorina spongiosa",
 "Year 1994-2026"
 ]
}

 The dataset includes 531 records from 85 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003648-260225131425191/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/72cdnny7w5
title: Intrasporangiaceae mediate Cr(VI) reduction coupled with sulfur oxidation, a neglected autotrophic process in deep paddy soil

description: Raw data for all figures in the manuscript by Zhang to be published by Geochimica et Cosmochimica Acta as "Intrasporangiaceae mediate Cr(VI) reduction coupled with sulfur oxidation, a neglected autotrophic process in deep paddy soil ".
DOI: 10.15468/dl.n4bmcs
title: Occurrence Download

description: A dataset containing 451 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Chaenotheca cinerea",
 "Year 1994-2026"
 ]
}

 The dataset includes 451 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003646-260225131425191/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/72cdnny7w5.1
title: Intrasporangiaceae mediate Cr(VI) reduction coupled with sulfur oxidation, a neglected autotrophic process in deep paddy soil

description: Raw data for all figures in the manuscript by Zhang to be published by Geochimica et Cosmochimica Acta as "Intrasporangiaceae mediate Cr(VI) reduction coupled with sulfur oxidation, a neglected autotrophic process in deep paddy soil ".
DOI: 10.13018/bmr51572
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3K
DOI: 10.17632/s24zcrp248
title: Antibacterial activity of Pistacia chinensis extract against Methicillin-resistant Staphylococcus aureus (MRSA)

description: The antibacterial efficacy of Pistacia chinensis extract (PciE) was assessed using broth microdilution method against different strains of methicillin resistant Staphylococcus aureus (MRSA). PciE demonstrated a dose-dependent inhibitory effect on MRSA strains. PciE reduced ROS levels in MRSA, thereby, reducing oxidative stress and interfering with resistance mechanisms. The deposited datasets include the raw data from broth microdilution assays to detect antibacterial activity of PciE against different MRSA strains, and fluorescence signal measured after DCFDA (2′,7′-Dichlorodihydrofluorescein diacetate) staining of PciE-treated and untreated MRSA cells. DCFDA staining was done to detect the ROS levels in the bacterial cells.
DOI: 10.13018/bmr51573
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3M
DOI: 10.17632/s24zcrp248.1
title: Antibacterial activity of Pistacia chinensis extract against Methicillin-resistant Staphylococcus aureus (MRSA)

description: The antibacterial efficacy of Pistacia chinensis extract (PciE) was assessed using broth microdilution method against different strains of methicillin resistant Staphylococcus aureus (MRSA). PciE demonstrated a dose-dependent inhibitory effect on MRSA strains. PciE reduced ROS levels in MRSA, thereby, reducing oxidative stress and interfering with resistance mechanisms. The deposited datasets include the raw data from broth microdilution assays to detect antibacterial activity of PciE against different MRSA strains, and fluorescence signal measured after DCFDA (2′,7′-Dichlorodihydrofluorescein diacetate) staining of PciE-treated and untreated MRSA cells. DCFDA staining was done to detect the ROS levels in the bacterial cells.
DOI: 10.13018/bmr51574
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3R
DOI: 10.13018/bmr51575
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3S
DOI: 10.13018/bmr51576
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3T
DOI: 10.17632/63fp7hg4yb
title: County-Level Panel Data on Library Availability and Heat-Related Mortality

description: County-Level Panel Data on Library Availability and Heat-Related Mortality, United States, 2018–2023
DOI: 10.17632/63fp7hg4yb.1
title: County-Level Panel Data on Library Availability and Heat-Related Mortality

description: County-Level Panel Data on Library Availability and Heat-Related Mortality, United States, 2018–2023
DOI: 10.13018/bmr51577
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3V
DOI: 10.13018/bmr51578
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3W
DOI: 10.13018/bmr51579
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant L3Y
DOI: 10.15468/dl.9kde2t
title: Occurrence Download

description: A dataset containing 35421 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "TaxonKey is Tectona"
 ]
}

 The dataset includes 35421 records from 260 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003647-260225131425191/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13018/bmr51580
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant Q1E
DOI: 10.13018/bmr51581
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant Q4E
DOI: 10.13018/bmr51582
title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant Q5E
DOI: 10.17632/ydgbmvbypy
title: green innovation dataset

description: green innovation dataset
DOI: 10.13018/bmr51583
title: TATA-box binding protein (TBP) derived polyQ peptide (16-mer pQ)
DOI: 10.17632/ydgbmvbypy.1
title: green innovation dataset

description: green innovation dataset
DOI: 10.15468/dl.ys4njh
title: Occurrence Download

description: A dataset containing 159 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is Estonia",
 "Geometry POLYGON((-32.36936 30.16548,84.36936 30.16548,84.36936 76.83452,-32.36936 76.83452,-32.36936 30.16548))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Month is one of (June, July, August)",
 "OccurrenceStatus is Present",
 "TaxonKey is Callimorpha dominula"
 ]
}

 The dataset includes 159 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003650-260225131425191/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13018/bmr51584
title: Backbone 13C and 15N Chemical Shift Assignments for fibrillar Amyloid Beta (1-42) at pH 7.0
DOI: 10.17632/5rpmg2xm3t
title: Thermally Driven Cathode Delamination in Lithium-Ion Batteries: Experimental Data on LCO, LFP, and NCA Chemistries

description: This dataset supports a study investigating the thermally driven delamination behavior of three major lithium‑ion battery cathode chemistries—LiCoO₂ (LCO), LiFePO₄ (LFP), and LiNi₀.₈Co₀.₁₅Al₀.₀₅O₂ (NCA)—using a newly formulated chelator‑engineered deep eutectic solvent (ChelaDES). The research hypothesis is that hydroxamate‑based DES systems can selectively weaken PVDF–metal oxide interfaces through coordinated metal–ligand interactions, enabling low‑energy, chemistry‑specific delamination governed by transport‑limited kinetics. The dataset provides complete raw and processed measurements that quantify delamination efficiency, interfacial exposure, and kinetic behavior across temperature–time operating windows.

The data include triplicate measurements of mass removal, bare aluminum exposure (via ImageJ thresholding), delamination scoring, and residue morphology for each chemistry at temperatures from 40–90 °C and reaction times from 15–60 min. Heatmaps summarize average removal, bare‑Al exposure, delamination scores, and removed mass per area. Kinetic model inputs and outputs are provided for pseudo‑first‑order (PFO), pseudo‑second‑order (PSO), Avrami nucleation‑growth analysis, and Fickian diffusion modeling, including fitted rate constants, Avrami exponents, diffusivity parameters (α), and Arrhenius activation energies.

The dataset reveals three distinct delamination regimes: (i) LCO exhibits progressive, diffusion‑limited weakening with rapid early‑stage acceleration and near‑complete removal (&gt;93%) at moderate temperatures; (ii) LFP shows strong threshold behavior, with minimal removal below 60 °C and abrupt interface failure once a thermal barrier is crossed; (iii) NCA displays transitional kinetics, with delayed onset at low temperatures but rapid acceleration above 60 °C. Across all chemistries, bare‑Al exposure correlates strongly with mass removal (R² = 0.998–1.000), validating its use as a quantitative surrogate for delamination efficiency.

These data enable reproducible evaluation of ChelaDES performance, cross‑chemistry kinetic comparison, and mechanistic interpretation of transport‑controlled delamination. Researchers can use the dataset to benchmark DES‑based recycling systems, validate kinetic models, or develop predictive frameworks for direct cathode recycling
DOI: 10.13018/bmr51591
title: Single alpha helix peptide (P3-7)2
DOI: 10.5281/zenodo.18788075
title: Supplement to Kutzschbach et al. 2026 "Rb-Sr age resetting by diffusion and neo-/recrystallization in amphibolite-facies metamorphic white mica revealed by micrometer scale LA-ICP-MS/MS mapping"

description: The archive includes Tables S1–S13, Figures S1-S5 and a folder (“Map_raw_data”) containing the .csv files of the calibrated and normalized elemental and isotopic as well as Rb-Sr age maps (one with and one without calibration factor applied as well as calibrated maps with only mica assigned pixel displayed), mask files and Si-based normalization factors. The.csv files can be read with open source software such as XMapTools Table S1: Laser and ICP-MS/MS settings used for mapping Table S2: Elemental and isotopic composition of Reference Materials and the plagioclase and muscovite segments that were used to construct isochrons for the youngest and oldest muscovite fractions. The location of the segments as well as the isochrons are included. Table S3: Elemental and isotopic composition as well as Rb-Sr ages of all muscovite single-spot analyses, including reference materials. Table S4: Muscovite cation concentrations recalculated from oxide compositions. Table S5: Elemental and isotopic composition for primary and recrystallized feldspars obtained from single spot analyses .Table S6: Feldspar cation concentrations recalculated from oxide compositions. Table S7: ⁸⁷Sr and Rb concentrations along WIL1A profiles displayed in Figs. 8, 9 S5. Table S8: ⁸⁷Sr and Rb concentrations along WIL3 profiles displayed in Figs. 10, S5. Table S9: ⁸⁷Sr and Rb concentrations along PUL profiles displayed in Figs. 13, S5. Table S10: ⁸⁷Sr, Rb and Rb-Sr age profiles across a ms1/ms2 boundary in sample GER, which is displayed in Fig. 11 Table S11: Results of closure temperature calculations for various D values using the Dodson equation. Table S12: estimate of the Rb-Sr age precision of each individual map based on the age variance within a circular spot with 50 µm diameter. Table S13: elemental, isotopic and Rb-Sr age data for the transects displayed in Fig. S4. 

Figures S1: location of the single spot analyses within muscovite (the displayed spot numbers correspond to the numbering in Table S3). Figure S2 Downhole fractionation patterns as calculated in LADR Figure S3 Variation of major and trace element composition with Rb-Sr age obtained from single spot analyses. A linear fit through all data points for a specific sample is included. Figures S4: Complete calibrated and normalized elemental, isotopic and Rb-Sr age maps acquired by LA-ICP-MS/MS. The numerical representation of the displayed transects is provided in Table S13. Figures S5: Compositional profiles obtained from samples WIL1A, WIL3 and PUL and the corresponding fit of the diffusion coefficients. The fit parameters including the 95% confidence interval are displayed with each profile. Note that the D value here is expressed in µm2/s. Also included is a comparative 87Sr and Fe compositional profile along a transect within sample WIL1A illustrating the differing diffusion length of 87Sr vs. Fe
DOI: 10.13018/bmr51592
title: Synthetic peptide P1-5
DOI: 10.17632/5rpmg2xm3t.1
title: Thermally Driven Cathode Delamination in Lithium-Ion Batteries: Experimental Data on LCO, LFP, and NCA Chemistries

description: This dataset supports a study investigating the thermally driven delamination behavior of three major lithium‑ion battery cathode chemistries—LiCoO₂ (LCO), LiFePO₄ (LFP), and LiNi₀.₈Co₀.₁₅Al₀.₀₅O₂ (NCA)—using a newly formulated chelator‑engineered deep eutectic solvent (ChelaDES). The research hypothesis is that hydroxamate‑based DES systems can selectively weaken PVDF–metal oxide interfaces through coordinated metal–ligand interactions, enabling low‑energy, chemistry‑specific delamination governed by transport‑limited kinetics. The dataset provides complete raw and processed measurements that quantify delamination efficiency, interfacial exposure, and kinetic behavior across temperature–time operating windows.

The data include triplicate measurements of mass removal, bare aluminum exposure (via ImageJ thresholding), delamination scoring, and residue morphology for each chemistry at temperatures from 40–90 °C and reaction times from 15–60 min. Heatmaps summarize average removal, bare‑Al exposure, delamination scores, and removed mass per area. Kinetic model inputs and outputs are provided for pseudo‑first‑order (PFO), pseudo‑second‑order (PSO), Avrami nucleation‑growth analysis, and Fickian diffusion modeling, including fitted rate constants, Avrami exponents, diffusivity parameters (α), and Arrhenius activation energies.

The dataset reveals three distinct delamination regimes: (i) LCO exhibits progressive, diffusion‑limited weakening with rapid early‑stage acceleration and near‑complete removal (&gt;93%) at moderate temperatures; (ii) LFP shows strong threshold behavior, with minimal removal below 60 °C and abrupt interface failure once a thermal barrier is crossed; (iii) NCA displays transitional kinetics, with delayed onset at low temperatures but rapid acceleration above 60 °C. Across all chemistries, bare‑Al exposure correlates strongly with mass removal (R² = 0.998–1.000), validating its use as a quantitative surrogate for delamination efficiency.

These data enable reproducible evaluation of ChelaDES performance, cross‑chemistry kinetic comparison, and mechanistic interpretation of transport‑controlled delamination. Researchers can use the dataset to benchmark DES‑based recycling systems, validate kinetic models, or develop predictive frameworks for direct cathode recycling
DOI: 10.5281/zenodo.15228383
title: Supplement to Kutzschbach et al. 2026 "Rb-Sr age resetting by diffusion and neo-/recrystallization in amphibolite-facies metamorphic white mica revealed by micrometer scale LA-ICP-MS/MS mapping"

description: The archive includes Tables S1–S13, Figures S1-S5 and a folder (“Map_raw_data”) containing the .csv files of the calibrated and normalized elemental and isotopic as well as Rb-Sr age maps (one with and one without calibration factor applied as well as calibrated maps with only mica assigned pixel displayed), mask files and Si-based normalization factors. The.csv files can be read with open source software such as XMapTools Table S1: Laser and ICP-MS/MS settings used for mapping Table S2: Elemental and isotopic composition of Reference Materials and the plagioclase and muscovite segments that were used to construct isochrons for the youngest and oldest muscovite fractions. The location of the segments as well as the isochrons are included. Table S3: Elemental and isotopic composition as well as Rb-Sr ages of all muscovite single-spot analyses, including reference materials. Table S4: Muscovite cation concentrations recalculated from oxide compositions. Table S5: Elemental and isotopic composition for primary and recrystallized feldspars obtained from single spot analyses .Table S6: Feldspar cation concentrations recalculated from oxide compositions. Table S7: ⁸⁷Sr and Rb concentrations along WIL1A profiles displayed in Figs. 8, 9 S5. Table S8: ⁸⁷Sr and Rb concentrations along WIL3 profiles displayed in Figs. 10, S5. Table S9: ⁸⁷Sr and Rb concentrations along PUL profiles displayed in Figs. 13, S5. Table S10: ⁸⁷Sr, Rb and Rb-Sr age profiles across a ms1/ms2 boundary in sample GER, which is displayed in Fig. 11 Table S11: Results of closure temperature calculations for various D values using the Dodson equation. Table S12: estimate of the Rb-Sr age precision of each individual map based on the age variance within a circular spot with 50 µm diameter. Table S13: elemental, isotopic and Rb-Sr age data for the transects displayed in Fig. S4. 

Figures S1: location of the single spot analyses within muscovite (the displayed spot numbers correspond to the numbering in Table S3). Figure S2 Downhole fractionation patterns as calculated in LADR Figure S3 Variation of major and trace element composition with Rb-Sr age obtained from single spot analyses. A linear fit through all data points for a specific sample is included. Figures S4: Complete calibrated and normalized elemental, isotopic and Rb-Sr age maps acquired by LA-ICP-MS/MS. The numerical representation of the displayed transects is provided in Table S13. Figures S5: Compositional profiles obtained from samples WIL1A, WIL3 and PUL and the corresponding fit of the diffusion coefficients. The fit parameters including the 95% confidence interval are displayed with each profile. Note that the D value here is expressed in µm2/s. Also included is a comparative 87Sr and Fe compositional profile along a transect within sample WIL1A illustrating the differing diffusion length of 87Sr vs. Fe
DOI: 10.13018/bmr51593
title: Synthetic peptide P2-6
DOI: 10.13018/bmr51594
title: Synthetic peptide P3-7
DOI: 10.13018/bmr51595
title: Synthetic peptide P5-9
DOI: 10.13018/bmr51596
title: Switchable single alpha helix peptide E(P3-7)3
DOI: 10.17632/t8vjkpr8d6
title: Interactions between Dietary Protein and Vegetable Fiber via the Gut Microbiota Are Associated with Cecal Fermentation Profiles and IgA Responses in Rats
DOI: 10.13018/bmr51597
title: Single alpha helix peptide (P3-7)3
DOI: 10.15468/dl.yyxhyt
title: Occurrence Download

description: A dataset containing 3301242 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-20 -38,55 -38,55 38,-20 38,-20 -38))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Hirundinidae"
 ]
}

 The dataset includes 3301242 records from 240 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003603-260225131425191/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/t8vjkpr8d6.1
title: Interactions between Dietary Protein and Vegetable Fiber via the Gut Microbiota Are Associated with Cecal Fermentation Profiles and IgA Responses in Rats
DOI: 10.13018/bmr51598
title: SNAP25a (Rattus norvegicus)