cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.27316621.v1
title: Effect of Sulfur Contents on Polycyclic Aromatic Compounds in Low-Rank Bituminous Coals

description: Different coal seams go through distinct biological, physical, and chemical processes. Polycyclic aromatic compounds (PACs) in coal may retain information about these processes, especially in low-rank bituminous coals. Three coal seams with different sulfur contents from the Ningwu Coalfield were studied to understand the relation of different sulfur contents with PAC formation in low-rank bituminous coals. Coal samples were extracted by solvent and separated using liquid chromatography. The collected aromatic hydrocarbon fractions were analyzed by gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). A total of 27 sulfur-containing PACs (SPACs) were identified in the high-sulfur samples, whereas only 8 SPACs were found in the low-sulfur coal and middle-sulfur coal. The total SPACs to total PACs ratios (T-SPACs/T-PACs) are 1.15%, 2.17%, and 10.65% in the low-sulfur, middle-sulfur, and high-sulfur coal, respectively. The variations of SPAC species and their content ratios indicate that SPAC formation is controlled by the sulfur contents in the low-rank bituminous coals. A total of 18 oxygen-containing PACs (OPACs) were identified in the low-sulfur coal and middle-sulfur coal, whereas only 11 OPACs were found in the high-sulfur samples. The average ratios of OPACs to the identified aromatic compounds (T-OPACs/T-PACs) are 9.81%, 9.62%, and 6.91% in the low-, middle-, and high-sulfur coals, exhibiting a negative correlation with sulfur contents and indicating that OPACs were also influenced by sulfur contents in low-rank bituminous coals. The ratios of total contents of polycyclic aromatic hydrocarbons (PAHs) to total PACs (T-PAHs/T-PACs) are 89.1%, 88.2%, and 82.0% in the low-, middle-, and high-sulfur coals, respectively, indicating a decreasing trend from low- and middle-sulfur coal to high-sulfur coal. This variation could be caused by the reaction of PAHs and sulfur to form SPACs.
DOI: 10.6084/m9.figshare.27196389
title: Multifunctional Pyrazolo[3,4-d]Pyrimidine Analogs (HCQ-PPs): Design, Synthesis and Anti-SARS-CoV-2 Evaluation

description: The novel, highly infectious SARS-CoV-2 virus caused millions of deaths and infections globally. At the same time, the emerged drug repurposing strategy may ultimately not yield a significant clinical benefit. Herein, we designed and synthesized a novel class of pyrazolo[3,4-d]pyrimidines (HCQ-PPs) whose structures were verified by spectral and analytical means as novel anti-SARS-CoV-2 agents. CPE-inhibition assay emerged the 6-((2-hydroxyethyl)aminomethyl) <b>HCQ-PP-1</b> as the most active analog, exposing about 50% and 29% inhibition compared to remdesivir (88.75% and 70.42% inhibition) at 100 and 10 µM, respectively, indicating the pivotal role of N1, C3 and C4 functionalization. The docking results displayed a unique binding mode of <b>HCQ-PP-1</b> in the SARS-CoV-2 M<sup>pro</sup> binding pocket that could underlie its potential activity with FRED energies of −7.71 comparable to that of remdesivir (-6.71). Its drug-likeness properties met the criteria of Pfizer with an excellent ADMET profile. Therefore, this study presents a novel anti-SARS-CoV-2 lead compound that is worthy of further investigation and activity improvement.
DOI: 10.6084/m9.figshare.27196389.v1
title: Multifunctional Pyrazolo[3,4-d]Pyrimidine Analogs (HCQ-PPs): Design, Synthesis and Anti-SARS-CoV-2 Evaluation

description: The novel, highly infectious SARS-CoV-2 virus caused millions of deaths and infections globally. At the same time, the emerged drug repurposing strategy may ultimately not yield a significant clinical benefit. Herein, we designed and synthesized a novel class of pyrazolo[3,4-d]pyrimidines (HCQ-PPs) whose structures were verified by spectral and analytical means as novel anti-SARS-CoV-2 agents. CPE-inhibition assay emerged the 6-((2-hydroxyethyl)aminomethyl) <b>HCQ-PP-1</b> as the most active analog, exposing about 50% and 29% inhibition compared to remdesivir (88.75% and 70.42% inhibition) at 100 and 10 µM, respectively, indicating the pivotal role of N1, C3 and C4 functionalization. The docking results displayed a unique binding mode of <b>HCQ-PP-1</b> in the SARS-CoV-2 M<sup>pro</sup> binding pocket that could underlie its potential activity with FRED energies of −7.71 comparable to that of remdesivir (-6.71). Its drug-likeness properties met the criteria of Pfizer with an excellent ADMET profile. Therefore, this study presents a novel anti-SARS-CoV-2 lead compound that is worthy of further investigation and activity improvement.
DOI: 10.6084/m9.figshare.27316621
title: Effect of Sulfur Contents on Polycyclic Aromatic Compounds in Low-Rank Bituminous Coals

description: Different coal seams go through distinct biological, physical, and chemical processes. Polycyclic aromatic compounds (PACs) in coal may retain information about these processes, especially in low-rank bituminous coals. Three coal seams with different sulfur contents from the Ningwu Coalfield were studied to understand the relation of different sulfur contents with PAC formation in low-rank bituminous coals. Coal samples were extracted by solvent and separated using liquid chromatography. The collected aromatic hydrocarbon fractions were analyzed by gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). A total of 27 sulfur-containing PACs (SPACs) were identified in the high-sulfur samples, whereas only 8 SPACs were found in the low-sulfur coal and middle-sulfur coal. The total SPACs to total PACs ratios (T-SPACs/T-PACs) are 1.15%, 2.17%, and 10.65% in the low-sulfur, middle-sulfur, and high-sulfur coal, respectively. The variations of SPAC species and their content ratios indicate that SPAC formation is controlled by the sulfur contents in the low-rank bituminous coals. A total of 18 oxygen-containing PACs (OPACs) were identified in the low-sulfur coal and middle-sulfur coal, whereas only 11 OPACs were found in the high-sulfur samples. The average ratios of OPACs to the identified aromatic compounds (T-OPACs/T-PACs) are 9.81%, 9.62%, and 6.91% in the low-, middle-, and high-sulfur coals, exhibiting a negative correlation with sulfur contents and indicating that OPACs were also influenced by sulfur contents in low-rank bituminous coals. The ratios of total contents of polycyclic aromatic hydrocarbons (PAHs) to total PACs (T-PAHs/T-PACs) are 89.1%, 88.2%, and 82.0% in the low-, middle-, and high-sulfur coals, respectively, indicating a decreasing trend from low- and middle-sulfur coal to high-sulfur coal. This variation could be caused by the reaction of PAHs and sulfur to form SPACs.
DOI: 10.6084/m9.figshare.27430270
title: Protective Effect of Resveratrol Against Non-Small Cell Lung Cancer: <i>In-Vitro</i> and <i>In-Silico</i> Studies

description: Resveratrol, a non-flavone polyphenol molecule, has been shown to be both chemotherapeutic and chemopreventive in the treatment of several forms of cancer, including lung cancer. 80% of cancers of the lungs are non-small cell lung cancers. The study was carried out to see the effects of Resveratrol in non-small cell lung cancer cells (A549) and to observe its binding as an inhibitor to Akt protein using <i>in-vitro</i> and <i>in-silico</i> studies, respectively. As per the results of Cell viability assay, which used Doxorubicin and Dexamethasone as standard drugs, Resveratrol (<i>p</i> = 0.01, <i>p</i> = 0.0051) could significantly stop lung cancer cells from growing, with IC50 values of 37.32 ± 0.8 μM. It was discovered that Resveratrol was about six times more effective than Dexamethasone, suggesting that it has a significantly higher anti-proliferative potential than this standard drug. During the Wound-closure assay, the rate of migration in the Resveratrol treatment group showed a lower migration rate at a higher concentration of 500 μM together with a change in the shape of the cell, demonstrating the concentration-dependent behavior of A549 cell growth. In the current study, it was demonstrated using Cell viability assay and Wound closure assay that Resveratrol exhibits anti-proliferative activity on A549 lung cancer cells and inhibits cancer cell proliferation in a concentration and time-dependent manner. It was also observed that Resveratrol binds to Akt protein and it inhibits the activity of Akt by interacting with the ATP-binding region of Akt protein. However, the molecular mechanism behind resveratrol’s anti-cancer benefits remains unknown. Finally, the current study may lay the groundwork for future research into the tumor suppressor resveratrol.
DOI: 10.6084/m9.figshare.27430270.v1
title: Protective Effect of Resveratrol Against Non-Small Cell Lung Cancer: <i>In-Vitro</i> and <i>In-Silico</i> Studies

description: Resveratrol, a non-flavone polyphenol molecule, has been shown to be both chemotherapeutic and chemopreventive in the treatment of several forms of cancer, including lung cancer. 80% of cancers of the lungs are non-small cell lung cancers. The study was carried out to see the effects of Resveratrol in non-small cell lung cancer cells (A549) and to observe its binding as an inhibitor to Akt protein using <i>in-vitro</i> and <i>in-silico</i> studies, respectively. As per the results of Cell viability assay, which used Doxorubicin and Dexamethasone as standard drugs, Resveratrol (<i>p</i> = 0.01, <i>p</i> = 0.0051) could significantly stop lung cancer cells from growing, with IC50 values of 37.32 ± 0.8 μM. It was discovered that Resveratrol was about six times more effective than Dexamethasone, suggesting that it has a significantly higher anti-proliferative potential than this standard drug. During the Wound-closure assay, the rate of migration in the Resveratrol treatment group showed a lower migration rate at a higher concentration of 500 μM together with a change in the shape of the cell, demonstrating the concentration-dependent behavior of A549 cell growth. In the current study, it was demonstrated using Cell viability assay and Wound closure assay that Resveratrol exhibits anti-proliferative activity on A549 lung cancer cells and inhibits cancer cell proliferation in a concentration and time-dependent manner. It was also observed that Resveratrol binds to Akt protein and it inhibits the activity of Akt by interacting with the ATP-binding region of Akt protein. However, the molecular mechanism behind resveratrol’s anti-cancer benefits remains unknown. Finally, the current study may lay the groundwork for future research into the tumor suppressor resveratrol.
DOI: 10.5281/zenodo.14904522
title: Supporting data for figures
DOI: 10.5281/zenodo.14922239
title: Supporting data for figures
DOI: 10.5281/zenodo.15576606
title: Supporting data for figures
DOI: 10.5281/zenodo.15577296
title: Supporting data for figures
DOI: 10.15468/dl.vn2ebx
title: Occurrence Download

description: A dataset containing 207 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crossota brunnea Vanhöffen, 1902"
 ]
}

 The dataset includes 207 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012862-250415084134356/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7vjtha
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Polygonum aviculare",
 "Country is Honduras",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024490-250811113504898/datasets/export for details.
DOI: 10.15468/dl.hdxugg
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Polygonum aviculare",
 "Country is Iran (Islamic Republic of)",
 "HasCoordinate is true"
 ]
}

 The dataset includes 10 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024491-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/13819840
title: Text Semantic Role Labeling Corpus
DOI: 10.15468/dl.bm5k49
title: Occurrence Download

description: A dataset containing 125 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Material sample)",
 "Continent is North America",
 "Country is Mexico",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Rhipicephalus sanguineus"
 ]
}

 The dataset includes 125 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002517-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17673842
title: First-Principles DFT Dataset for Structural, Electronic, Optical, Thermodynamical and Vibrational Properties of MgAgF3

description: This dataset contains all computational files generated during first-principles Density Functional Theory (DFT) calculations performed using the CASTEP module in BIOVIA Materials Studio. The data were produced as part of research on the structural, electronic, optical, thermodynamical and vibrational properties of MgAgF3, focusing on their stability, bonding characteristics, and potential functional applications.

The repository includes the input and output files needed to reproduce the calculations, enabling transparency, repeatability, and further analysis by other researchers. All calculations were performed under well-defined convergence criteria using standard DFT workflows.
DOI: 10.5281/zenodo.17673841
title: First-Principles DFT Dataset for Structural, Electronic, Optical, Thermodynamical and Vibrational Properties of MgAgF3

description: This dataset contains all computational files generated during first-principles Density Functional Theory (DFT) calculations performed using the CASTEP module in BIOVIA Materials Studio. The data were produced as part of research on the structural, electronic, optical, thermodynamical and vibrational properties of MgAgF3, focusing on their stability, bonding characteristics, and potential functional applications.

The repository includes the input and output files needed to reproduce the calculations, enabling transparency, repeatability, and further analysis by other researchers. All calculations were performed under well-defined convergence criteria using standard DFT workflows.
DOI: 10.15468/dl.uwtpew
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mammalia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-120.8056 36.69905, -120.8032 36.6969, -120.8004 36.69828, -120.8027 36.70136, -120.8056 36.69905))",
 "Year is greater than or equal to 2000",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002518-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/13819851
title: Text Semantic Role Labeling Corpus
DOI: 10.15468/dl.v3be9n
title: Occurrence Download

description: A dataset containing 154 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "Geometry POLYGON((-149.38243 -19.07716,-11.61757 -19.07716,-11.61757 36.07716,-149.38243 36.07716,-149.38243 -19.07716))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Pithecellobium mangense"
 ]
}

 The dataset includes 154 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002519-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tw48k4
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mammalia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-120.6825 36.58517, -120.6832 36.58587, -120.6833 36.58617, -120.6838 36.58741, -120.6839 36.58825, -120.6851 36.58984, -120.687 36.59012, -120.6879 36.58858, -120.687 36.58758, -120.6879 36.58667, -120.689 36.58526, -120.6862 36.58445, -120.6839 36.58405, -120.6839 36.58436, -120.6838 36.58455, -120.6836 36.5849, -120.6833 36.58507, -120.6825 36.58517))",
 "Year is greater than or equal to 2000",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002520-251120083545085/datasets/export for details.
DOI: 10.34740/kaggle/dsv/13819863
title: Predict Rice Crop Production
DOI: 10.4224/40003205
title: Supplementary data for "Evaluation of a virtual reality training tool for firefighters responding to transportation incidents with dangerous goods"
DOI: 10.5281/zenodo.17673177
title: Dataset for 'Interface-mediated softening and deformation mechanics in amorphous/ amorphous nanolaminates'

description: This repository contains three data files from a Scanning Precession Electron Diffraction (SPED) dataset used in the study of amorphous/amorphous nanolaminates. These files can be processed and analyzed using the Python code and Jupyter notebooks available in the associated GitHub repository: https://github.com/vivekdev-empa/nanolam_tantala_silica. The code includes tools for density map computation and line profile analysis from 4D-STEM diffraction patterns. For detailed usage instructions, refer to the README.md in the GitHub repository.
DOI: 10.5281/zenodo.17673178
title: Dataset for 'Interface-mediated softening and deformation mechanics in amorphous/ amorphous nanolaminates'

description: This repository contains three data files from a Scanning Precession Electron Diffraction (SPED) dataset used in the study of amorphous/amorphous nanolaminates. These files can be processed and analyzed using the Python code and Jupyter notebooks available in the associated GitHub repository: https://github.com/vivekdev-empa/nanolam_tantala_silica. The code includes tools for density map computation and line profile analysis from 4D-STEM diffraction patterns. For detailed usage instructions, refer to the README.md in the GitHub repository.
DOI: 10.15468/dl.pxnnue
title: Occurrence Download

description: A dataset containing 226220 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "TaxonKey is Pinus pinaster"
 ]
}

 The dataset includes 226220 records from 82 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002503-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/13819870
title: Text Semantic Role Labeling Corpus
DOI: 10.17909/zep8-1p53
title: Eps Ind Ab MIRI coro

description: F1065C and F1550C observations published in Matthews et al. 2024. F1140C observations published in Matthews et al. 2026, alongside updated photometry at F1065C and F1550C.
DOI: 10.15468/dl.3mkedc
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mammalia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-119.6104 35.65551, -119.6105 35.66026, -119.615 35.66034, -119.615 35.65579, -119.6104 35.65551))",
 "Year is greater than or equal to 2000",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002522-251120083545085/datasets/export for details.
DOI: 10.5281/zenodo.17674327
title: Dataset and High resolution images for the paper "Multilevel Operation in Scaled Back-End-of-Line Ferroelectric FETs With a Metal Interlayer"

description: This dataset contains:



high resolution images of the related publication

data in .csv format of the simulation results (results plotted in the images)


Data from Fig. 1, Fig. 2, Fig. 3 are explained and reported in more details in the dataset: 10.5281/zenodo.17048239, 10.5281/zenodo.17048138, 10.5281/zenodo.17048312

The quantities, and corresponding short names, shown in the images and reported in the dataset are explained in details in the related publication (10.1109/ACCESS.2025.3561255)
DOI: 10.15468/dl.avc6u9
title: Occurrence Download

description: A dataset containing 1306871 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Morus notabilis, Sesbania bispinosa, Aegilops umbellulata, Agropyron cristatum, Avena longiglumis, Beckmannia syzigachne, Cercis chuniana, Cucumis sativus, Hordeum brevisubulatum, Oxalis articulata, Oxalis debilis, Physaria fendleri, Physaria lindheimeri, Physaria pallida, Rosa laevigata, Rosa persica, Arabidopsis thaliana, Camelina neglecta, Fragaria nipponica, Fragaria orientalis, Antirrhinum majus, Carpinus viminea, Cenchrus americanus, Corydalis hemidicentra, Dasypyrum villosum, Epimedium pubescens, Medicago littoralis, Ormosia purpureiflora, Pontederia cordata, Prunus campanulata, Puccinellia tenuiflora, Punica granatum, Salvia officinalis, Secale cereale, Arabis alpina, Arabis planisiliqua, Corydalis saxicola, Artemisia tridentata, Centella asiatica, Coptis teeta, Eomecon chionantha, Lotus pedunculatus, Luzula pallescens, Platycodon grandiflorus, Rosa rugosa, Microcitrus australis)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Machine Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1306871 records from 3562 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002512-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/inscriptifact-ouc110811981
title: Attic Red-Figure Askos (Jug) with Creatures, BMC P.105

description: [Text Description:] Classical ❧ [Text or Publication Number Note:] BMC P.105 ❧ [Medium:] Clay ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Clay, Red-Figure Askos (Jug) ❧ [Physical Object Note:] 2 15/16 x 3 5/8 x 4 7/16 in. (7.5 x 9.2 x 11.3 cm) ❧ [Physical Object Note:] Askoi
DOI: 10.25549/inscriptifact-ouc110811698
title: Laconian Black-Figure Kylix (Drinking Cup) with Two Warriors, BMC P.81

description: [Text Description:] Hoplite Painter, Archaic ❧ [Text or Publication Number Note:] BMC P.81 ❧ [Medium:] Clay ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Clay, Black-Figure Kylix (Drinking Cup) ❧ [Physical Object Note:] 2 1/16 in. x 7 1/2 in. x 5 1/2 in. (5.3 cm x 19.05 cm x 13.97 cm) ❧ [Physical Object Note:] Kylikes
DOI: 10.25549/inscriptifact-ouc110811893
title: Attic Red-Figure Askos (Jug) with Creatures, BMC P.105

description: [Text Description:] Classical ❧ [Text or Publication Number Note:] BMC P.105 ❧ [Medium:] Clay ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Clay, Red-Figure Askos (Jug) ❧ [Physical Object Note:] 2 15/16 x 3 5/8 x 4 7/16 in. (7.5 x 9.2 x 11.3 cm) ❧ [Physical Object Note:] Askoi
DOI: 10.25549/inscriptifact-ouc110811863
title: Attic Red-Figure Hydria/Kalpis (Water Jar) with Nike, BMC P.103

description: [Text Description:] Attributed to the Shuvalov Painter, Classical ❧ [Text or Publication Number Note:] BMC P.103 ❧ [Medium:] Clay ❧ [Script Note:] Non-Text ❧ [Physical Object Description:] Clay, Red-Figure Hydria/Kalpis (Water Jar) ❧ [Physical Object Note:] 5 3/4 in. x 5 1/4 in. x 4 1/8 in. (14.61 cm x 13.34 cm x 10.48 cm) ❧ [Physical Object Note:] Hydriae