cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/hy8frkv9df
title: Dataset from DFT Calculations and RDG Analysis for Interactions in a Chitosan/Cassava Starch/Anthocyanin Composite Film

description: 1 Research Hypothesis:
This research hypothesizes that at the pH condition (4.4) of the film-forming solution, chitosan (CH), cassava starch (CS), and purple sweet potato anthocyanin (PSPA) can form stable complexes through non-covalent interactions. These molecular-level interactions, primarily hydrogen bonds and van der Waals forces, are responsible for the enhanced mechanical properties and structural compactness observed in the composite film, and underpin its function as a pH-responsive indicator for pork freshness.
2 What the Data Shows:
Individual Component Calculations:
Chitosan.gjf, Chitosan.chk, Chitosan-ESP.txt: DFT input, output, and electrostatic potential data for chitosan tetramer
cassava_starch.gjf, cassava_starch.chk, cassava_starch-ESP.txt: DFT input, output, and ESP data for starch tetramer
carbinol_pseudobase.gjf, carbinol_pseudobase.chk, carbinol_pseudobase-ESP.txt: DFT input, output, and ESP data for anthocyanin derivative
Complex Calculations:
Chitosan-carbinol_pseudobase.gjf, Chitosan-carbinol_pseudobase.chk: DFT input and output for chitosan-anthocyanin complex
cassava_starch-carbinol_pseudobase.gjf, cassava_starch-carbinol_pseudobase.chk: DFT input and output for starch-anthocyanin complex
Chitosan-carbinol_pseudobase-RDG-output.txt, cassava_starch-carbinol_pseudobase-RDG-output.txt: Non-covalent interaction analysis results
3 Notable Findings and Interpretation:
The ESP analysis revealed that protonated chitosan has a strong positive potential around its -NH₃⁺ groups, making it an excellent hydrogen bond donor. PSPA and starch showed significant negative potential around their oxygen atoms, acting as hydrogen bond acceptors.
Molecular docking corroborated this, identifying five hydrogen bonds in the CH-PSPA complex and two in the CS-PSPA complex. The short bond distances (&lt; 2.9 Å) indicate stable and favorable interactions.
The NCI analysis provided direct evidence of these non-covalent interactions, with clear blue isosurfaces (signifying strong hydrogen bonds) and green regions (signifying van der Waals interactions) between the molecules. This computational evidence strongly supports the experimental FTIR and XRD findings that hydrogen bonding is a key mechanism within the film matrix.
DOI: 10.17632/hy8frkv9df.1
title: Dataset from DFT Calculations and RDG Analysis for Interactions in a Chitosan/Cassava Starch/Anthocyanin Composite Film

description: 1 Research Hypothesis:
This research hypothesizes that at the pH condition (4.4) of the film-forming solution, chitosan (CH), cassava starch (CS), and purple sweet potato anthocyanin (PSPA) can form stable complexes through non-covalent interactions. These molecular-level interactions, primarily hydrogen bonds and van der Waals forces, are responsible for the enhanced mechanical properties and structural compactness observed in the composite film, and underpin its function as a pH-responsive indicator for pork freshness.
2 What the Data Shows:
Individual Component Calculations:
Chitosan.gjf, Chitosan.chk, Chitosan-ESP.txt: DFT input, output, and electrostatic potential data for chitosan tetramer
cassava_starch.gjf, cassava_starch.chk, cassava_starch-ESP.txt: DFT input, output, and ESP data for starch tetramer
carbinol_pseudobase.gjf, carbinol_pseudobase.chk, carbinol_pseudobase-ESP.txt: DFT input, output, and ESP data for anthocyanin derivative
Complex Calculations:
Chitosan-carbinol_pseudobase.gjf, Chitosan-carbinol_pseudobase.chk: DFT input and output for chitosan-anthocyanin complex
cassava_starch-carbinol_pseudobase.gjf, cassava_starch-carbinol_pseudobase.chk: DFT input and output for starch-anthocyanin complex
Chitosan-carbinol_pseudobase-RDG-output.txt, cassava_starch-carbinol_pseudobase-RDG-output.txt: Non-covalent interaction analysis results
3 Notable Findings and Interpretation:
The ESP analysis revealed that protonated chitosan has a strong positive potential around its -NH₃⁺ groups, making it an excellent hydrogen bond donor. PSPA and starch showed significant negative potential around their oxygen atoms, acting as hydrogen bond acceptors.
Molecular docking corroborated this, identifying five hydrogen bonds in the CH-PSPA complex and two in the CS-PSPA complex. The short bond distances (&lt; 2.9 Å) indicate stable and favorable interactions.
The NCI analysis provided direct evidence of these non-covalent interactions, with clear blue isosurfaces (signifying strong hydrogen bonds) and green regions (signifying van der Waals interactions) between the molecules. This computational evidence strongly supports the experimental FTIR and XRD findings that hydrogen bonding is a key mechanism within the film matrix.
DOI: 10.17632/xw2d73z2w7.1
title: Sounding Space

description: How can we use interaction and experiential design to create immersive experiences that elucidate sound as a physical phenomenon in space? We encourage our students to create both material and conceptual interventions for sound artists, along with various analytical methods to examine and contemplate the urban environment, in order to assess which acts are preferable and most effective.
DOI: 10.17632/35hg99y7w7
title: Synergistic Cu-Mn Bimetallic Sites on MCM-41 for High-Efficiency H2S Capture from Blast Furnace Gas

description: All original data related to the figures in this article: Synergistic Cu-Mn Bimetallic Sites on MCM-41 for High-Efficiency H2S Capture from Blast Furnace Gas, including Characterization Analysis (FTIR, TG, XPS, XRD, in situ infrared, BET, TPD) and Performance Test Data.
DOI: 10.15468/dl.4t4qq2
title: Occurrence Download

description: A dataset containing 346 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is South Africa",
 "DatasetKey is FBIP:SAEON: Historical Research Survey Database (1897-1949)",
 "TaxonKey is Sardinops sagax"
 ]
}

 The dataset includes 346 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005744-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/35hg99y7w7.1
title: Synergistic Cu-Mn Bimetallic Sites on MCM-41 for High-Efficiency H2S Capture from Blast Furnace Gas

description: All original data related to the figures in this article: Synergistic Cu-Mn Bimetallic Sites on MCM-41 for High-Efficiency H2S Capture from Blast Furnace Gas, including Characterization Analysis (FTIR, TG, XPS, XRD, in situ infrared, BET, TPD) and Performance Test Data.
DOI: 10.17632/8zgj3yb9vp
title: Bedding-Dependent Anisotropic Tensile Failure of Continental Shale: Insights from Laboratory Experiments and Numerical Simulations

description: Data for Bedding-Dependent Anisotropic Tensile Failure of Continental Shale: Insights from Laboratory Experiments and Numerical Simulations
DOI: 10.17632/8zgj3yb9vp.1
title: Bedding-Dependent Anisotropic Tensile Failure of Continental Shale: Insights from Laboratory Experiments and Numerical Simulations

description: Data for Bedding-Dependent Anisotropic Tensile Failure of Continental Shale: Insights from Laboratory Experiments and Numerical Simulations
DOI: 10.15468/dl.k5aem6
title: Occurrence Download

description: A dataset containing 8867 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ulva prolifera"
 ]
}

 The dataset includes 8867 records from 235 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005743-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rhrzw8
title: Occurrence Download

description: A dataset containing 270 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((5.534870662290489 51.634854149074194, 5.534520867473381 51.63748771629005, 5.533352018915903 51.640028205098, 5.531408915710253 51.64237796338162, 5.528766148596374 51.644446656568, 5.52552524592804 51.646154744414176, 5.52181077683966 51.647436544017, 5.517765560623375 51.64824276037437, 5.5135451669469315 51.64854238627329, 5.509311919989168 51.648323897653555, 5.505228639565174 51.64759569793441, 5.501452362946314 51.64638579400562, 5.498128291861695 51.64474071649761, 5.495384200061146 51.642723726349416, 5.493325518245081 51.64041237739981, 5.4920312859720735 51.63789552963521, 5.491551125563762 51.63526992884792, 5.491903352563594 51.632636484984666, 5.493074292706544 51.6300963927786, 5.495018828475525 51.62774724396716, 5.497662151035788 51.6256792803366, 5.500902647471801 51.6239719310617, 5.504615810494252 51.622690766604755, 5.508659019647667 51.6218849852727, 5.512877010821453 51.62158552804984, 5.517107825596102 51.62180389331695, 5.52118901443444 51.622531696434145, 5.524963858490102 51.62374099089075, 5.528287374128706 51.62538533884286, 5.531031872161973 51.62740159041983, 5.533091860044145 51.62971230422358, 5.534388099379889 51.632228716962935, 5.534870662290489 51.634854149074194))",
 "Year is one of (2019, 2020, 2021, 2022, 2023, 2024, 2025)",
 "KingdomKey is one of (Animalia, Fungi, Plantae)"
 ]
}

 The dataset includes 270 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005746-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wetjwe
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mammalia",
 "HasCoordinate is true",
 "Geometry POLYGON ((-119.7119 35.19069, -119.7103 35.19196, -119.7128 35.19456, -119.7152 35.19318, -119.7119 35.19069))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005748-251120083545085/datasets/export for details.
DOI: 10.34740/kaggle/dsv/13851165
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.15468/dl.mj2xgm
title: Occurrence Download

description: A dataset containing 6957 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-6.036 43.404,-5.963 43.404,-5.963 43.495,-6.036 43.495,-6.036 43.404))",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 6957 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005749-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qh59ct
title: Occurrence Download

description: A dataset containing 5387 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Peru",
 "OccurrenceStatus is Present",
 "TaxonKey is Xenodacnis parina"
 ]
}

 The dataset includes 5387 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005752-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ja8xkw
title: Occurrence Download

description: A dataset containing 152 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Brachystachyum densiflorum"
 ]
}

 The dataset includes 152 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005753-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mmh2ww
title: Occurrence Download

description: A dataset containing 140 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Philippines",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Oreochromis niloticus, Oreochromis niloticus)",
 "Year 2000-2024"
 ]
}

 The dataset includes 140 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005751-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nstjb3
title: Occurrence Download

description: A dataset containing 10416 records in GBIF matching the query:
SELECT
 kingdom,
 scientificname,
 COUNT(*)
FROM
 occurrence
WHERE
 GBIF_GEODISTANCE(55.1, 10.4, '10km', occurrence.decimallatitude, occurrence.decimallongitude) = TRUE
GROUP BY
 occurrence.kingdom,
 occurrence.scientificname

 The dataset's 10416 records were derived from 109 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005732-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kadj59
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mammalia",
 "HasCoordinate is true",
 "Geometry POLYGON ((-119.6737 35.16108, -119.6712 35.1627, -119.6741 35.1649, -119.6768 35.16316, -119.6737 35.16108))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005754-251120083545085/datasets/export for details.
DOI: 10.15468/dl.4ae354
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Machine Observation, Human Observation, Living Specimen)",
 "TaxonKey is Astrochelys yniphora"
 ]
}

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005755-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/73abhb
title: Peracarida: Panama, Bocas del Toro 2024

description: From July 31, August 14, 2024 peracarid enthusiasts from 10 countries convened at the Smithsonian Tropical Research Institute in Bocas del Toro, Panama, for the “Confusing Crustaceans” workshop. This immersive course focused on peracarid systematics, collection, and preservation, featuring eight experts alongside 20 eager participants. The instructors brought a wide range of expertise in various groups within the Peracarida, as well as in science communication and biodiversity data management. 

Each morning, attendees collected peracarids from diverse habitats, including coral reefs, sea-grasses, mangroves, and leaf litter. In the afternoons, they sorted and identified their specimens, gaining hands-on training in peracarid morphology. Evenings were dedicated to engaging lectures and discussions, enriching participants’ understanding of peracarid systematics, specimen preservation techniques for morphology and biomolecules, and specimen photography, among other topics.

For more information about the Peracarida project, visit: https://www.peracarida.org
DOI: 10.15468/dl.eu8rkr
title: Occurrence Download

description: A dataset containing 726 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((5.2764401826325775 51.71680707183353, 5.276075011687918 51.71943975058675, 5.274889856360319 51.721977581533245, 5.272930142499886 51.72432301443231, 5.270271099694153 51.726385880741525, 5.267014882606181 51.728086864051676, 5.263286649944232 51.72936055450863, 5.259229751021988 51.73015796887755, 5.255000205441078 51.73044843842899, 5.2507606897873345 51.730220791260194, 5.2466742651057245 51.72948378304509, 5.242898089400168 51.728265759443296, 5.239577360010541 51.72661356331142, 5.236839721422347 51.72459072924271, 5.234790355293008 51.722275035628634, 5.233507942089979 51.71975550928102, 5.233041648962082 51.71712899870044, 5.233409257838293 51.71449644851243, 5.234596503010787 51.711959018810035, 5.236557640469549 51.7096141987482, 5.2392172238970804 51.70755206357038, 5.242473016325469 51.70585181837775, 5.246199923696939 51.704578760652694, 5.250254798461235 51.70378177730233, 5.25448192917645 51.703491471437445, 5.258719006898254 51.70371899004102, 5.262803341734795 51.70445559701197, 5.2665780938421625 51.7056730077765, 5.269898282610364 51.70732447277694, 5.27263634585853 51.70934656872815, 5.274687037278527 51.71166162961039, 5.275971474639364 51.714180724939496, 5.2764401826325775 51.71680707183353))",
 "Year is one of (2019, 2020, 2021, 2022, 2023, 2024, 2025)",
 "KingdomKey is one of (Animalia, Fungi, Plantae)"
 ]
}

 The dataset includes 726 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005757-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8sg5hn
title: Occurrence Download

description: A dataset containing 1413 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Acer pictum mono, Acer pictum connivens, Acer pictum marmoratum, Acer pictum glaucum, Acer mono incurvatum, Acer mono septemlobum, Acer mono incurvatum, Acer mono, Acer leptophyllum, Acer pictum mono)"
 ]
}

 The dataset includes 1413 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005756-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.57745/nmsbzj
title: Figure05_PredictionBearing03_Set01.gif

description: Source file for fig. 5 "Evolution of the instantaneous prediction for Bearing 03 at selected cycles", 675 being a healthy cycle, 1850 a suspicious cycle and 2150 a faulty cycle. In this inner race failure case, the results show that the predicted values from normal cycle to the suspected cycle (1775-1850) reflect not only the stability of detection but also the early aspect (ability to restore a clear trend).
DOI: 10.57745/jw6evc
title: Figure07_PredictionBearing01_Set02.gif

description: Source file for fig. 7 "Evolution of the instantaneous prediction for bearing 01 at selected cycles", 565 being a healthy cycle, 697 a suspicious cycle and 983 a faulty cycle. In this outer race failure case, the results show that a remarkable stability is observed with a dynamic validation mechanism: stable monitoring in normal cycle reflects excellent stability even under significant fluctuations.
DOI: 10.57745/bmf677
title: Figure08_PredictionBearing03_Set03.gif

description: Source file for fig. 8 "Evolution of the instantaneous prediction for bearing 03 at selected cycles", 4448 being a healthy cycle, 6093 a suspicious cycle and 6383 a faulty cycle. In this other outer race failure case, the results show that the proposed approach was not disturbed by the large amount of data, showing long-term stabilitywith a high tolerance to extreme values.
DOI: 10.57745/hhqyue
title: Figure06_PredictionBearing04_Set01.gif

description: Source file for fig. 6 "Evolution of the instantaneous prediction for bearing 04 at selected cycles", 1000 being a healthy cycle, 1450 a suspicious cycle and 1850 a faulty cycle. In this roller element failure case, the results show that the prediction of the suspect phase starts from cycle 1050. However, the validation of this state was not confirmed until cycle 1300: a prediction that should be highlighted because this “local evolution” was not considered as failure state and false alarm was avoided. At 1450 cycle, the established model crossed a critical phase where the failure state of the rolling element was confirmed at early stage (level 1 of defect). In addition, the generalized defect (defect level 2) was declared at cycle 1850 with a prediction of 1645.049.
DOI: 10.57745/oj1pgu
title: ReadMe.txt

description: ReadMe file
DOI: 10.57745/txrjjc
title: PredictionBearing03_Set03.csv

description: Values associated with the file Figure05_PredictionBearing03_Set03.gif
DOI: 10.5281/zenodo.17700175
title: Table 1 in Statistical distribution models for migratory fish in Jacuí basin, South Brazil

description: Table 1. Measured variables, measurement scale and data source for probability distribution models adjustment for migratory fishes at Jacuí basin (Brazil).
VariableMeasurement ScaleData OriginPresence (per specie of migratory fish)Binary: present (1); absent (0)Presence in catalogues Records in literature InterviewsAltitudeMetric (natural logarithm of the altitude in meters)Digital Elevation ModelCatchment areaMetric (natural logarithm of the basin area in km2)Digital Elevation Model
description: Published as part of Alves, Thaís P. & Fontoura, Nelson F., 2009, Statistical distribution models for migratory fish in Jacuí basin, South Brazil, pp. 650 in Neotropical Ichthyology 7 (4) on page 650, DOI: 10.1590/s1679-62252009000400014, http://zenodo.org/record/17700071
DOI: 10.5281/zenodo.17700176
title: Table 1 in Statistical distribution models for migratory fish in Jacuí basin, South Brazil

description: Table 1. Measured variables, measurement scale and data source for probability distribution models adjustment for migratory fishes at Jacuí basin (Brazil).
VariableMeasurement ScaleData OriginPresence (per specie of migratory fish)Binary: present (1); absent (0)Presence in catalogues Records in literature InterviewsAltitudeMetric (natural logarithm of the altitude in meters)Digital Elevation ModelCatchment areaMetric (natural logarithm of the basin area in km2)Digital Elevation Model
description: Published as part of Alves, Thaís P. & Fontoura, Nelson F., 2009, Statistical distribution models for migratory fish in Jacuí basin, South Brazil, pp. 650 in Neotropical Ichthyology 7 (4) on page 650, DOI: 10.1590/s1679-62252009000400014, http://zenodo.org/record/17700071
DOI: 10.57745/s88wrr
title: PredictionBearing01_Set02.csv

description: Values associated with the file Figure05_PredictionBearing01_Set02.gif
DOI: 10.57745/nfmapb
title: PredictionBearing04_Set01.csv

description: Values associated with the file Figure05_PredictionBearing04_Set01.gif
DOI: 10.5281/zenodo.17697956
title: Supplementary data for Shear-enhanced dynamic permeability development of magma vesiculating in cylindrical conduits

description: Supplementary data sets from thermal inrared imaging and pre-and post-experimental characterization of natural obsidian samples sheared in cylindrical tubes. A preprint of this manuscript this data ccompanies is available at https://doi.org/10.48550/arXiv.2505.10103.
DOI: 10.5281/zenodo.17697957
title: Supplementary data for Shear-enhanced dynamic permeability development of magma vesiculating in cylindrical conduits

description: Supplementary data sets from thermal inrared imaging and pre-and post-experimental characterization of natural obsidian samples sheared in cylindrical tubes. A preprint of this manuscript this data ccompanies is available at https://doi.org/10.48550/arXiv.2505.10103.
DOI: 10.57745/rkwtey
title: PredictionBearing03_Set01.csv

description: Values associated with the file Figure05_PredictionBearing03_Set01.gif
DOI: 10.57745/0dk1ke
title: Supplementary information to "Bearing fault prognosis based on Cyclical Remaining Useful Life (CRUL)", 2025

description: The dataset used in this study consists of vibration signals acquired from a bearing endurance test rig. These data describe the progressive degradation of bearings from their healthy state until failure. The supplementary GIF files illustrate representative samples of the vibration signal evolution and the corresponding degradation trend over time. They were added to visualize how the vibration patterns and extracted health indicators change across different stages of bearing life, which supports the understanding of the proposed cyclical prognosis approach.