cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2bzxkt
title: CCDC 2174667: Experimental Crystal Structure Determination

description: Related Article: Carlos Cruz, Jorge Galdames, Liz Camayo-Gutierrez, Mathieu Rouzières, Corine Mathonière, Nieves Menéndez, Nathalie Audebrand, Sebastian E. Reyes-Lillo, Rodolphe Clérac, Diego Venegas-Yazigi, Verónica Paredes-García|2024|Inorg.Chem.|63|17561|doi:10.1021/acs.inorgchem.4c02170
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.cc2bzxmw
title: CCDC 2174669: Experimental Crystal Structure Determination

description: Related Article: Carlos Cruz, Jorge Galdames, Liz Camayo-Gutierrez, Mathieu Rouzières, Corine Mathonière, Nieves Menéndez, Nathalie Audebrand, Sebastian E. Reyes-Lillo, Rodolphe Clérac, Diego Venegas-Yazigi, Verónica Paredes-García|2024|Inorg.Chem.|63|17561|doi:10.1021/acs.inorgchem.4c02170
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.cc2d7tl2
title: CCDC 2212054: Experimental Crystal Structure Determination

description: Related Article: Vishal Budhija, Phebe H. van Langevelde, Konstantin B. Krause, Beatrice Cula, D. G. H. Hetterscheid, Matthias Schwalbe|2023|Eur.J.Inorg.Chem.|26|e202200743|doi:10.1002/ejic.202200743
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.cc2fcgt3
title: CCDC 2245355: Experimental Crystal Structure Determination

description: Related Article: Biprajit Sarkar, Richard Rudolf|2024|ChemistryEurope|2|e202400066|doi:10.1002/ceur.202400066
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.cc2d7tk1
title: CCDC 2212053: Experimental Crystal Structure Determination

description: Related Article: Vishal Budhija, Phebe H. van Langevelde, Konstantin B. Krause, Beatrice Cula, D. G. H. Hetterscheid, Matthias Schwalbe|2023|Eur.J.Inorg.Chem.|26|e202200743|doi:10.1002/ejic.202200743
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.cc2fch9m
title: CCDC 2245370: Experimental Crystal Structure Determination

description: Related Article: N. V. Gorodnicheva,  O. S. Vasil’eva,  E. S. Ostroglyadov,  R. I. Baichurin,  I. A. Litvinov,  S. V. Makarenko|2024|Izv.Akad.Nauk SSSR,Ser.Khim.|73|624|doi:10.1007/s11172-024-4172-3
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.cc2fchbn
title: CCDC 2245371: Experimental Crystal Structure Determination

description: Related Article: N. V. Gorodnicheva,  O. S. Vasil’eva,  E. S. Ostroglyadov,  R. I. Baichurin,  I. A. Litvinov,  S. V. Makarenko|2024|Izv.Akad.Nauk SSSR,Ser.Khim.|73|624|doi:10.1007/s11172-024-4172-3
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.cc2fchcp
title: CCDC 2245372: Experimental Crystal Structure Determination

description: Related Article: Sarah Hill, Nathan Dao, Vuong Q. Dang, Edward L. Stahl, Laura M. Bohn, Ryan A. Shenvi|2023|ACS Cent.Sci.|9|1567|doi:10.1021/acscentsci.3c00616
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.cc2fchjv
title: CCDC 2245377: Experimental Crystal Structure Determination

description: Related Article: Mitu Sharma, Amanda M. Perkins, Alison K. Duckworth, Emily J. Rouse, Bruno Donnadieu, Bhupendra Adhikari, Sean L. Stokes, Joseph P. Emerson|2023|Inorganics|11|120|doi:10.3390/inorganics11030120
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.cc2fchq1
title: CCDC 2245383: Experimental Crystal Structure Determination

description: Related Article: Jiahui Wu, Linan Miao, Mingming Yang, Ang Li, Yan Cao, Qiyu Wang, Jiahui Zhang, Zhonglu You|2023|Inorg.Chim.Acta|555|121573|doi:10.1016/j.ica.2023.121573
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.cc2fchr2
title: CCDC 2245384: Experimental Crystal Structure Determination

description: Related Article: Jiahui Wu, Linan Miao, Mingming Yang, Ang Li, Yan Cao, Qiyu Wang, Jiahui Zhang, Zhonglu You|2023|Inorg.Chim.Acta|555|121573|doi:10.1016/j.ica.2023.121573
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: 10.7266/ngdmt2nk
title: Temperature, salinity, and current velocity profiles from EM-APEX Float 10273 in the Gulf of Mexico from 2025-06-06 to 2025-06-13
DOI: 10.15468/dl.2k43z3
title: Occurrence Download

description: A dataset containing 61711 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Paeonia"
 ]
}

 The dataset includes 61711 records from 790 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0059214-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60656/1af866e124624f51
title: Custom collection of microwave radiometer data from Bucharest, Cabauw, Chilbolton, Cluj-Napoca, Galați, and 15 other sites between 1 and 28 Feb 2025
DOI: 10.17632/5xpxd5j2y8
title: Codigo Modelo Inversiones

description: Codigo en Pyhon para modelo de evaluacion de riesgos fiscales en inversiones sostenibles en españa
DOI: 10.17632/5xpxd5j2y8.1
title: Codigo Modelo Inversiones

description: Codigo en Pyhon para modelo de evaluacion de riesgos fiscales en inversiones sostenibles en españa
DOI: 10.15468/dl.jqch8e
title: Occurrence Download

description: A dataset containing 809 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Deinandra increscens (H.M.Hall ex D.D.Keck) B.G.Baldwin, Eriodictyon capitatum Eastw.)",
 "OccurrenceStatus is Present",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
}

 The dataset includes 809 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012362-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28758878
title: SleepHygiene.xlsx

description: In this project we aim to investigate how adult attachment might be associated with sleep hygiene and if sleep hygiene might mediate the relationship between adult attachment and sleep quality. Daytime fatigue and an anxious and depressed mood will be entered as covariates.
DOI: 10.17632/jpwgkzc7sj.1
title: Interlayer Adhesion Enhancement of Material Extrusion Additive Manufacturing: A Rheological Approach: Dataset

description: Enclosed are supporting materials for the paper titled " Interlayer Adhesion Enhancement of Material Extrusion Additive Manufacturing: A Rheological Approach". The files supported include the experimental data for the flatwise mechanical testing and the Rheological characterization of the material used for testing.
DOI: 10.15468/8ym28a
title: Simultaneous surveys of littoral organisms in Osaka Bay in 2024

description: The “Simultaneous surveys of littoral organisms in Osaka Bay” is a project to survey all living creatures in Osaka Bay simultaneously, conducted by the “Osaka Bay Environmental Restoration Liaison Committee” consisting of universities, civic groups, national and local governments and others, with the cooperation of groups working along the coast of Osaka Bay. The results of this survey will be the basis for understanding the water environment in various areas of Osaka Bay. This dataset is from the survey results conducted in 2024.
DOI: 10.17632/wzv3xg4k4d.1
title: Mitophagy Biomarkers in Ischemic Stroke: Diagnostic Models and Therapeutic Clindamycin

description: Ischemic stroke and control group data, including two datasets GSE16561 and GSE22255.
DOI: 10.15468/dl.56tyyg
title: Occurrence Download

description: A dataset containing 59 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((106.92256 2.021,109.3711 -3.36343,116.12907 -5.51156,122.88704 3.39062,116.52083 8.74524,106.92256 2.021))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Gonystylus bancanus (Miq.) Kurz"
 ]
}

 The dataset includes 59 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012365-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/wdx755zvrk
title: Raw Data for Assessment of the Light-trapping Potential of Nanowrinkle Textures for Enhanced Photovoltaic Performance

description: The raw data used in the work "Assessment of the Light-trapping Potential of Nanowrinkle Textures for Enhanced Photovoltaic Performance" (https://doi.org/10.1016/j.optmat.2025.117026) is provided in this dataset. Single junction amorphous silicon solar cells with absorber thickness 300 nm were fabricated on four quasiperiodic nanowrinkles. Specifically, the raw data of the experimentally measured J-V curves of the flat and nanowrinkle solar cells (T1-SC, T2-SC, T3-SC, and T4-SC) in Fig. 2 (a), and the optical absorption (experimentally measured from R&T measurements and numerically simulated using FEM) spectral data is provided, used in Fig. 3 (a) and (b), respectively, are given.
DOI: 10.17632/wdx755zvrk.1
title: Raw Data for Assessment of the Light-trapping Potential of Nanowrinkle Textures for Enhanced Photovoltaic Performance

description: The raw data used in the work "Assessment of the Light-trapping Potential of Nanowrinkle Textures for Enhanced Photovoltaic Performance" (https://doi.org/10.1016/j.optmat.2025.117026) is provided in this dataset. Single junction amorphous silicon solar cells with absorber thickness 300 nm were fabricated on four quasiperiodic nanowrinkles. Specifically, the raw data of the experimentally measured J-V curves of the flat and nanowrinkle solar cells (T1-SC, T2-SC, T3-SC, and T4-SC) in Fig. 2 (a), and the optical absorption (experimentally measured from R&T measurements and numerically simulated using FEM) spectral data is provided, used in Fig. 3 (a) and (b), respectively, are given.
DOI: 10.17632/36cs48xbzr
title: Questionnaire data

description: This is my questionnaire data, which is used to be imported into SPSS for analysis and into AMOS for structural equation model testing. 
My hypotheses:H1: Functional preference influences perceived attitude.
H2: Functional preference influences acceptance intention.
H3: Perceived attitude significantly affects willingness to accept.
H4: Personality traits significantly affect perceived attitude.
H5: Personality traits significantly affect acceptance willingness.
H6: Social attributes significantly influence willingness to accept.
H7: Personality traits significantly influence functional preference.
DOI: 10.17632/36cs48xbzr.1
title: Questionnaire data

description: This is my questionnaire data, which is used to be imported into SPSS for analysis and into AMOS for structural equation model testing. 
My hypotheses:H1: Functional preference influences perceived attitude.
H2: Functional preference influences acceptance intention.
H3: Perceived attitude significantly affects willingness to accept.
H4: Personality traits significantly affect perceived attitude.
H5: Personality traits significantly affect acceptance willingness.
H6: Social attributes significantly influence willingness to accept.
H7: Personality traits significantly influence functional preference.
DOI: 10.13127/messina/meteo
title: Meteorological dataset from INGV station at Messina headquarter
title: METEO-ME

description: Half hourly data of atmospheric pressure, air temperature  and relative humidity, rainfall amount
description: Dati ogni 30 minuti di pressione atmosferica, temperatura ed umidità relativa dell'aria, quantità di pioggia
description: Meteorological station composed of: 
1. Onset Hobo RX 2100 station - cell -4G.
2. Onset Hobo Temperature/RH 16 bit Smart Sensor, -40 °C to 75 °C (T), 0 to 100% (RH),  0.02 °C / 0.01% RH resolutions
3. Davis 0.2 mm raingauge 12 bit Smart Sensor, 0.2 mm resolution
4. Onset Hobo 12 bit Smart Barometric Pressure Sensor, 660 to 1070 mbar range, 0.1 mbar resolution
description: Structure of the Excel file:
Column A. Date Time (GMT+1) expresses as DD/MM/YY hh:mm
Column B. Atmospheric Pressure (hPa)
Column C. Air Temperature (°C)
Column D. Air Relative Humidity (%)
Column E. Rainfall amount (mm)
DOI: 10.15468/dl.f272tq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Rhizophora mangle L., Avicennia germinans (L.) L., Avicennia schaueriana Stapf & Leechm. ex Moldenke, Sonneratia apetala Buch.-Ham., Laguncularia racemosa (L.) C.F.Gaertn.)",
 "Country is one of (Spain, Portugal)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012364-250402121839773/datasets/export for details.
DOI: 10.5281/zenodo.15137142
title: MDDTA: A drug target binding affinity prediction method based on molecular dynamics simulation data enhancement.

description: MD-PDBbind.zip:Dynamic database for training, containing the natural conformation of each complex and the corresponding 10-frame dynamic conformation.



PDBbind_2020_md.csv: Enhanced MD-PDBbind sample set used for training.




CASF2016.csv: CASF-2016 test set.




protein_emb_data.h5: ESM2 pre-training characterization file containing proteins from both the training and test sets.




protein_coords_data.h5: File containing protein pocket coordinates for both the training and test sets.




ligand_data.h5: File containing the coordinates of ligand small molecules and GraphMVP pre-training characterization for both the training and test sets.




drugbank_compound.zip: Compound PDBQT structure files required for Qvina-W docking in drugbank drug screening.




Drugbank_dataset.zip: The dataset required for MDDTA prediction in drugbank drug screening and the h5 file with embedded characterisation and coordinates.
DOI: 10.5281/zenodo.15137143
title: MDDTA: A drug target binding affinity prediction method based on molecular dynamics simulation data enhancement.

description: MD-PDBbind.zip:Dynamic database for training, containing the natural conformation of each complex and the corresponding 10-frame dynamic conformation.



PDBbind_2020_md.csv: Enhanced MD-PDBbind sample set used for training.




CASF2016.csv: CASF-2016 test set.




protein_emb_data.h5: ESM2 pre-training characterization file containing proteins from both the training and test sets.




protein_coords_data.h5: File containing protein pocket coordinates for both the training and test sets.




ligand_data.h5: File containing the coordinates of ligand small molecules and GraphMVP pre-training characterization for both the training and test sets.




drugbank_compound.zip: Compound PDBQT structure files required for Qvina-W docking in drugbank drug screening.




Drugbank_dataset.zip: The dataset required for MDDTA prediction in drugbank drug screening and the h5 file with embedded characterisation and coordinates.
DOI: 10.17632/3dws2t893s
title: Data_switch

description: Dataset for the article How do novice and expert drivers prepare to takeover? Investigation of their visual and task switching behaviour.
DOI: 10.17632/3dws2t893s.1
title: Data_switch

description: Dataset for the article How do novice and expert drivers prepare to takeover? Investigation of their visual and task switching behaviour.
DOI: 10.17632/4729ywrzn7
title: AI in HE

description: A Comparative Study of Higher Education Teachers’ Views Across Different Countries (Slovenia, Balkans and Other countries)
DOI: 10.17632/4729ywrzn7.1
title: AI in HE

description: A Comparative Study of Higher Education Teachers’ Views Across Different Countries (Slovenia, Balkans and Other countries)
DOI: 10.17632/j9f93ffsxj.1
title: Identificación microbiológica de patógenos en aguas de centros educativos de Norte de Santander

description: Se plantea que la calidad microbiológica del agua de consumo en los centros educativos de Norte de Santander no cumple con los estándares establecidos en la normatividad vigente, presentando niveles elevados de contaminación por microorganismos patógenos e indicadores de contaminación fecal, lo que sugiere fallas en los procesos de almacenamiento y tratamiento del agua potable.
Descripción de los Datos y Metodología:Para evaluar la calidad microbiológica del agua de consumo, se recolectaron un total de 80 muestras en 20 centros educativos ubicados en tres municipios de Norte de Santander: Cúcuta, Pamplona y Los Patios. La recolección se realizó durante cuatro muestreos a lo largo de seis meses, aplicando el método de filtración por membrana para la identificación de bacterias aerobias mesófilas, Escherichia coli, coliformes totales y fecales, Pseudomonas spp. y Salmonella spp. según normas técnicas establecidas.
Adicionalmente, se realizaron mediciones in situ de parámetros fisicoquímicos del agua, incluyendo temperatura, pH y cloro residual, así como encuestas al personal de mantenimiento para evaluar las condiciones de almacenamiento del agua.

Hallazgos

Se identificó crecimiento de bacterias aerobias mesófilas en el 77,5% de las muestras.
La presencia de coliformes totales se registró en el 84% de las muestras y coliformes fecales en el 72%.
Escherichia coli estuvo presente en el 21% de las muestras analizadas.
Pseudomonas spp. se detectó en el 73% de las muestras, mientras que Salmonella spp. se halló en el 10,5%.

En el 70% de los centros educativos no se encontró cloro residual, lo que indica un deficiente proceso de desinfección del agua.

Solo un 22,5% de las muestras analizadas cumplió con el límite permisible de microorganismos según la normatividad colombiana.

En la mayoría de las instituciones evaluadas, el mantenimiento de los tanques de almacenamiento se realiza solo una vez al año, lo que contribuye al riesgo de contaminación microbiana.

. La presencia de coliformes y E. coli indica contaminación fecal reciente, lo que representa un riesgo significativo para la salud de los estudiantes y el personal educativo. Adicionalmente, la detección de Pseudomonas spp. y Salmonella spp. sugiere condiciones de almacenamiento deficientes y posible formación de biopelículas en las redes de distribución de agua.

La ausencia de cloro residual en la mayoría de las muestras confirma fallas en el proceso de potabilización, lo que permite la proliferación de microorganismos patógenos. Estos hallazgos resaltan la necesidad de implementar estrategias correctivas, tales como el mantenimiento regular de los sistemas de almacenamiento, la verificación constante de los niveles de desinfección y la educación sanitaria 
Este estudio enfatiza la importancia de la vigilancia microbiológica continua del agua de consumo en entornos escolares y la necesidad de medidas inmediatas para mitigar los riesgos asociados a la contaminación del recurso hídrico