cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17674513
title: Synthesis of Aspirin

description: This research paper investigates the effect of different catalysts on the reaction rate during the synthesis of Aspirin (acetylsalicylic acid) from salicylic acid and acetic anhydride.Catalysts are substances known to increase reaction speed by offering an alternative reaction pathway with a lower activation energy. This experiment compared the total synthesis time—measured as the sum of crystallization and recrystallization time—when using Sulfuric acid, Phosphoric acid, and a control group with No Catalyst.The findings indicated that the presence of a catalyst significantly increased the rate of aspirin formation, nearly doubling the speed compared to the uncatalyzed reaction. Contrary to the initial hypothesis, Phosphoric acid proved to be the most effective catalyst, resulting in the fastest overall synthesis time. This study provides valuable quantitative data on how specific catalysts impact the efficiency of this common and medically important esterification reaction.
DOI: 10.15468/dl.hz6yqx
title: Occurrence Download

description: A dataset containing 3370 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Psidium guajava"
 ]
}

 The dataset includes 3370 records from 115 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002543-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rgmrhy
title: Occurrence Download

description: A dataset containing 133 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "TaxonKey is Phylloscopus sarasinorum nesophilus",
 "Year 2024-2025"
 ]
}

 The dataset includes 133 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002544-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15139/s3/uenk3m
title: Data Management and Sharing Plan for: MIRACLE: Multimodal InteRActive Conceptual LEarning

description: The Data Management and Sharing Plan describes the scientific data to be generated and/or used in the research and outlines a strategy for managing and sharing project data.
description: Data Management and Sharing Plan
DOI: 10.13140/rg.2.2.32092.45443
title: interactive info board
DOI: 10.7910/dvn/ocznvy
title: Details of publications using software by the Public Knowledge Project

description: This dataset contains a summary of information about known public installations of Open Journal Systems, Open Monograph Press, and Open Preprint Systems.

Data are updated annually. See previous revisions for previous years' data.
DOI: 10.5281/zenodo.17477290
title: Fe-Co-Zr Magnetic Materials: A DFT and Machine Learning Dataset

description: This dataset contains the key computational data, structural information, and validation files supporting the findings presented in the manuscript: "Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing."

The data were generated using a high-throughput, machine learning-guided discovery framework (exa-AMD) coupled with first-principles calculations. This dataset is provided to facilitate open science, reproducible research, and further exploration of the Fe-Co-Zr ternary system for rare-earth-free permanent magnets.

This repository includes:

Crystallographic Information Files (CIFs):The 9 newly discovered thermodynamically stable Fe-Co-Zr compounds. The 2 engineered phases, Fe₅Co₁₈Zr₆ and Fe₅Co₁₆Zr₆Mn₄, derived from local atomic substitutions 3. The 81 unique, low-energy metastable Fe-Co-Zr compounds (with formation energies within 0.1 eV/atom above the convex hull).

Dynamic Stability Data:Raw data files for the phonon dispersion calculated for the 11 key stable and derived compounds.

Raw data files from the ab initio molecular dynamics (AIMD) simulation of FeCo₅Zr₁₂, including energy trajectory and radial distribution function (RDF) data.

Model Validation Data: Raw data used to generate the comparison plot of ML-predicted vs. DFT-calculated formation energies for the converged structures.
DOI: 10.5281/zenodo.17477289
title: Fe-Co-Zr Magnetic Materials: A DFT and Machine Learning Dataset

description: This dataset contains the key computational data, structural information, and validation files supporting the findings presented in the manuscript: "Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing."

The data were generated using a high-throughput, machine learning-guided discovery framework (exa-AMD) coupled with first-principles calculations. This dataset is provided to facilitate open science, reproducible research, and further exploration of the Fe-Co-Zr ternary system for rare-earth-free permanent magnets.

This repository includes:

Crystallographic Information Files (CIFs):The 9 newly discovered thermodynamically stable Fe-Co-Zr compounds. The 2 engineered phases, Fe₅Co₁₈Zr₆ and Fe₅Co₁₆Zr₆Mn₄, derived from local atomic substitutions 3. The 81 unique, low-energy metastable Fe-Co-Zr compounds (with formation energies within 0.1 eV/atom above the convex hull).

Dynamic Stability Data:Raw data files for the phonon dispersion calculated for the 11 key stable and derived compounds.

Raw data files from the ab initio molecular dynamics (AIMD) simulation of FeCo₅Zr₁₂, including energy trajectory and radial distribution function (RDF) data.

Model Validation Data: Raw data used to generate the comparison plot of ML-predicted vs. DFT-calculated formation energies for the converged structures.
DOI: 10.5281/zenodo.17674610
title: GHCP_adoption_survey

description: Data collected on the adoption and acceptance of GHCP in a financial organizaiton.
DOI: 10.25345/c56688z29
title: MassIVE MSV000099986 - Nrf2 Promotes Regulatory T Cell Differentiation by Reprogramming Glutamine Metabolism to Alleviate Colitis
title: Stable isotope tracing .RAW files for "Nrf2 Promotes Regulatory T Cell Differentiation by Reprogramming Glutamine Metabolism to Alleviate Colitis"
DOI: 10.15468/dl.5tkvnk
title: Occurrence Download

description: A dataset containing 26681 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Geometry POLYGON((-96.85273 -57.48774,-31.36937 -57.48774,-31.36937 12.08997,-96.85273 12.08997,-96.85273 -57.48774))",
 "HasGeospatialIssue is false",
 "TaxonKey is Bombus"
 ]
}

 The dataset includes 26681 records from 62 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002545-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17674645
title: IODP Expedition 321 Alkalinity and pH

description: Alkalinity was determined by Gran titration with an autotitrator (Metrohm 794 basic Titrino) using 0.1 M HCl at 20 degrees C. Report includes alkalinity, correction factor (if applicable), and pH.
DOI: 10.5281/zenodo.17674644
title: IODP Expedition 321 Alkalinity and pH

description: Alkalinity was determined by Gran titration with an autotitrator (Metrohm 794 basic Titrino) using 0.1 M HCl at 20 degrees C. Report includes alkalinity, correction factor (if applicable), and pH.
DOI: 10.15139/s3/mbetix
title: Data Management and Sharing Plan for: Pfizer Agreement

description: The Data Management and Sharing Plan describes the scientific data to be generated and/or used in the research and outlines a strategy for managing and sharing project data.
description: Data Management and Sharing Plan
DOI: 10.15468/dl.s922dd
title: Occurrence Download

description: A dataset containing 1291 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Machine Observation, Human Observation, Material citation, Specimen, Occurrence evidence)",
 "Issue is one of (Coordinate rounded, Geodetic datum assumed WGS84, Continent derived from coordinates, Continent derived from country)",
 "PublishingOrg is one of (1928bdf0-f5d2-11dc-8c12-b8a03c50a862, 743cc32d-d83d-4e3a-a574-77d1725b1e08, 7338b4d9-d75b-4edb-b238-b09f52397f49, bb922300-7ddb-11de-a300-90ac77aa923f, f43d0d02-84e6-468e-8832-a0906a10b4e9, ca2fd897-6108-4361-91f8-b39dc8d12d13, 39adeab9-6ec9-4c56-801e-7144d0eb630c, 9d8de7ef-a571-4bc3-985a-86a9b8dddd77, 2e04e68c-742f-4e15-931f-3cdeacd569ff)",
 "TaxonKey is Mustela lutreola",
 "Year 1920-2025"
 ]
}

 The dataset includes 1291 records from 59 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002546-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d5hwrx
title: Occurrence Download

description: A dataset containing 8226 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Guatemala",
 "DatasetKey is one of (Fortalecimiento de las colecciones de ECOSUR. Primera fase (Abejas), Potential host plant records recovered from ECOAB wild bee collection, Mexico, iNaturalist Research-grade Observations, Snow Entomological Museum Collection, Universidad del Valle de Guatemala - Colección de Artrópodos (UVGC), hymenoptera, American Museum of Natural History (AMNH) Hymenoptera Meliponini Collection, Museum of Comparative Zoology, Harvard University, Apoyo a las colecciones biológicas de la Facultad de Ciencias de la UNAM: Fase 1 (Abejas), NMNH Extant Specimen Records (USNM, US))",
 "PublishingOrg is one of (ff90b050-c256-11db-b71b-b8a03c50a862, 28eb1a3f-1c15-4a95-931a-4af90ecb574d, b554c320-0560-11d8-b851-b8a03c50a862, 5c1a4c27-795a-4294-aecc-46d7176706b7, ccd1ddc0-6c21-11de-8224-b8a03c50a862, b4640710-8e03-11d8-b956-b8a03c50a862, 5ffa575c-fcd4-4583-9611-545f67b04316, bc092ff0-02e4-11dc-991f-b8a03c50a862, 352bdfe0-c57b-11dd-a8eb-b8a03c50a862, 1e26a630-7203-11dc-a0d8-b8a03c50a862)",
 "TaxonKey is Apidae"
 ]
}

 The dataset includes 8226 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002547-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25345/c52f7k47g
title: MassIVE MSV000099987 - Modifications to the gut microbiome alter bone matrix proteomics and fracture toughness at the cellular scale
title: DIA-MS/MS Proteomics data for "Modifications to the gut microbiome alter bone matrix proteomics and fracture toughness at the cellular scale" by Hunt... Hernandez et al. The gut microbiome can regulate the strength of bone matrix but the specific changes in matrix function and composition are not yet understood. Here we introduce micropillar splitting to determine the fracture toughness of matrix at the cellular scale in concert with proteomic analysis of bone matrix when the gut microbiome was altered by oral antibiotics (ampicillin+neomycin). Male mice were divided into four groups (n = 3-4/group): (1) Unaltered (no alteration), (2) Continuous (alteration from 4-24 weeks), (3) Delayed (alteration from 16-24 weeks) and (4) Reconstituted (alteration from 1-16 weeks following by reconstitution). Micropillars (5 micron diameter) were fabricated using focused ion beam milling on femur cross-sections in regions of matrix formed either before or after changes in the microbiome (16 weeks) (n = 4/group). Proteomics was used to identify differences in matrix protein composition. Micropillar fracture toughness differed by group (p &lt; 0.001) and region (p &lt; 0.001). Fracture toughness in the Unaltered group (1.34 +/- 0.32 MPa*sqrt(m), mean +/- SD) was substantially greater than the Continuous group (0.95 +/- 0.20) and the Delayed group (0.90 +/- 0.21) but not different from the Reconstituted group (1.22 +/- 0.25). Bone matrix formed from 16-24 weeks of age had lower fracture toughness than matrix formed before 16 weeks of age in all groups. Notably, micropillar splitting was substantially more precise than whole bone testing; whole bone notched 3-point bending tests did not detect differences in fracture toughness. Proteomics identified 46 extracellular matrix proteins that were differentially abundant between groups, including decreased abundance of Periostin (q &lt; 0.001) and Emilin-1 (q &lt; 0.001) in groups with impaired bone matrix. These findings demonstrate that modifications to the gut microbiome lead to changes in bone matrix throughout cortical bone volume and establish micropillar splitting as a high-precision approach for characterizing matrix material properties.
DOI: 10.34740/kaggle/dsv/13820189
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.15139/s3/0vkipy
title: Data Management and Sharing Plan for: Novel, Cost-effective, Whole-Home Rapid Lead Screening and Interpretation for the 21st Century: A Community-Engaged Youth Citizen Science Approach

description: The Data Management and Sharing Plan describes the scientific data to be generated and/or used in the research and outlines a strategy for managing and sharing project data.
description: Data Management and Sharing Plan
DOI: 10.5517/cc6k9yz
title: CCDC 195391: Experimental Crystal Structure Determination

description: Related Article: I.Castro-Rodriguez, K.Olsen, P.Gantzel, K.Meyer|2002|Chem.Commun.||2764|doi:10.1039/b208473b
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/cc6k9z0
title: CCDC 195392: Experimental Crystal Structure Determination

description: Related Article: I.Castro-Rodriguez, K.Olsen, P.Gantzel, K.Meyer|2002|Chem.Commun.||2764|doi:10.1039/b208473b
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/cc6hqv7
title: CCDC 193869: Experimental Crystal Structure Determination

description: Related Article: M.-L.Lehaire, R.Scopelliti, K.Severin|2002|Chem.Commun.||2766|doi:10.1039/b208996c
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/cc6ffhj
title: CCDC 191657: Experimental Crystal Structure Determination

description: Related Article: V.V.Karambelkar, D.Krishnamurthy, C.L.Stern, L.N.Zakharov, A.L.Rheingold, D.P.Goldberg|2002|Chem.Commun.||2772|doi:10.1039/b207770a
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/cc6gjdk
title: CCDC 192708: Experimental Crystal Structure Determination

description: Related Article: M.H.Chisholm, E.R.Davidson, M.Pink, K.B.Quinlan|2002|Chem.Commun.||2770|doi:10.1039/b208819c
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/cc6hqw8
title: CCDC 193870: Experimental Crystal Structure Determination

description: Related Article: M.-L.Lehaire, R.Scopelliti, K.Severin|2002|Chem.Commun.||2766|doi:10.1039/b208996c
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/cc4krfv
title: CCDC 136227: Experimental Crystal Structure Determination

description: Related Article: C.Drouza, V.J.Tolis, V.Gramlich, C.Raptopoulou, A.Terzis, M.P.Sigalas, T.A.Kabanos, A.D.Keramidas|2002|Chem.Commun.||2786|doi:10.1039/b207330g
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/cc6d0sc
title: CCDC 190302: Experimental Crystal Structure Determination

description: Related Article: C.Drouza, V.J.Tolis, V.Gramlich, C.Raptopoulou, A.Terzis, M.P.Sigalas, T.A.Kabanos, A.D.Keramidas|2002|Chem.Commun.||2786|doi:10.1039/b207330g
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/cc6ffjk
title: CCDC 191658: Experimental Crystal Structure Determination

description: Related Article: V.V.Karambelkar, D.Krishnamurthy, C.L.Stern, L.N.Zakharov, A.L.Rheingold, D.P.Goldberg|2002|Chem.Commun.||2772|doi:10.1039/b207770a
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/cc67sy4
title: CCDC 186246: Experimental Crystal Structure Determination

description: Related Article: M.D.Hannant, M.Schormann, M.Bochmann|2002|J.Chem.Soc.,Dalton Trans.||4071|doi:10.1039/b208165m
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/cc67yr3
title: CCDC 186395: Experimental Crystal Structure Determination

description: Related Article: B.E.Bursten, M.H.Chisholm, M.L.Drummond, J.C.Gallucci, C.B.Hollandsworth|2002|J.Chem.Soc.,Dalton Trans.||4077|doi:10.1039/b205130n
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/cc5mlr3
title: CCDC 167795: Experimental Crystal Structure Determination

description: Related Article: S.A.Ivanov, M.A.Kozee, W.A.Merrill, S.Agarwal, L.F.Dahl|2002|J.Chem.Soc.,Dalton Trans.||4105|doi:10.1039/b204273h
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/cc67vgq
title: CCDC 186293: Experimental Crystal Structure Determination

description: Related Article: S.A.Ivanov, M.A.Kozee, W.A.Merrill, S.Agarwal, L.F.Dahl|2002|J.Chem.Soc.,Dalton Trans.||4105|doi:10.1039/b204273h
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/cc67vhr
title: CCDC 186294: Experimental Crystal Structure Determination

description: Related Article: S.A.Ivanov, M.A.Kozee, W.A.Merrill, S.Agarwal, L.F.Dahl|2002|J.Chem.Soc.,Dalton Trans.||4105|doi:10.1039/b204273h
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/cc6832m
title: CCDC 186529: Experimental Crystal Structure Determination

description: Related Article: O.Fuhr, A.Meredith, D.Fenske|2002|J.Chem.Soc.,Dalton Trans.||4091|doi:10.1039/b205057a
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/cc682zh
title: CCDC 186526: Experimental Crystal Structure Determination

description: Related Article: O.Fuhr, A.Meredith, D.Fenske|2002|J.Chem.Soc.,Dalton Trans.||4091|doi:10.1039/b205057a
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/cc6830k
title: CCDC 186527: Experimental Crystal Structure Determination

description: Related Article: O.Fuhr, A.Meredith, D.Fenske|2002|J.Chem.Soc.,Dalton Trans.||4091|doi:10.1039/b205057a
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/cc6831l
title: CCDC 186528: Experimental Crystal Structure Determination

description: Related Article: O.Fuhr, A.Meredith, D.Fenske|2002|J.Chem.Soc.,Dalton Trans.||4091|doi:10.1039/b205057a
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.