cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2m4j6j
title: CCDC 2417417: Experimental Crystal Structure Determination

description: Related Article: Benedito Donizeti Botan-Neto, David Santamaria-Perez, Lena Wedek, Lkhamsuren Bayarjargal, Ganesh Bera, Pablo Botella, Julio Pellicer-Porres, Alberto Otero-de-la-Roza, Catalin Popescu, Frederico G. Alabarse|2025|Inorg.Chem.|64|10067|doi:10.1021/acs.inorgchem.5c00642
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: 10.6084/m9.figshare.12097659.v2
title: In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)

description: The N terminal domain (NTD) of Nucleocapsid protein (N protein) of coronavirus (CoV) binds to the viral (+) sense RNA and results in CoV ribonucleoprotien (CoV RNP) complex, essential for the virus replication. In this study, the RNA-binding N terminal domain (NTD) of the N protein was targeted for the identification of possible inhibitors of RNA binding. Two NTD structures of N proteins were selected (2OFZ and 1SSK, 92% homology) for virtual screening of 56,079 compounds from Asinex and Maybridge library to identify top 15 hits for each of the targets based on ‘docking score’. These top-hits were further screened for MM-GBSA binding free energy, pharmacokinetic properties (QikProp) and drug-likeness (SwissADME) and subjected to molecular dynamics (MD) studies. Two suitable binders (ZINC00003118440 and ZINC0000146942) against the target 2OFZ were identified. ZINC00003118440 is a theophylline derivative under the drug class ‘bronchodilators’ and further screening with approved bronchodilators was also studied to identify their ability to bind to the RNA binding region on the N protein. The other identified top hit is ZINC0000146942, which is a 3,4dihydropyrimidone class molecule. Hence this study suggests two important class of compounds, theophylline and pyrimidone derivaties as possible inhibitors of RNA binding to the N terminal domain of N protein of coronavirus, thus opening new avenues for in vitro validations. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.24633669.v1
title: Efficacy sample data (CSV)

description: Efficacy sample data (CSV)
DOI: 10.6084/m9.figshare.6066578.v1
title: Node information of Chilean power grid without tap

description: Node data of Chilean power grid 'without tap' version. Node list include the ID of nodes, label, ownership, geo-coordinates, and role of the nodes. Please, see the corresponding edge file to construct a network with the nodes.
DOI: 10.6084/m9.figshare.9037388.v1
title: TCD Clustering Data

description: The dataset includes numerous TCD metrics and labels extracted from recorded TCD waveforms across three subject groups: one group of acute LVO subjects, a second group of in-hospital control subjects (IHC), and a third group of out-of-hospital control subjects (OHC); see Thorpe, Samuel G., et al. "Velocity curvature index: a novel diagnostic biomarker for large vessel occlusion." Translational stroke research (2018): 1-10. for details concerning the clinical populations. The columns in this data set labeled onset_score, peaks_score, and canopy_score, determine the 3-dimensional cluster space described in https://www.medrxiv.org/content/10.1101/19003236v1. Additional metrics and labels are also included.
DOI: 10.17632/5m42936yt9
title: THE SURVEY DATA SET for GREEN MARKETING PRACTICE AS A TOOL OF ENVIRONMENTAL PROTECTION: THE CASE OF SELECTED WATER BOTTLING COMPANIES AND OFFICES IN ROBE AND SHASHEMENE TOWNS, ETHIOPIA

description: The data set is about green marketing and the environmental protection of selected water bottling companies and offices in Robe and Shashemene towns, Ethiopia. Two hundred thirty-eight respondents were surveyed with five-point Likert scale questionnaires and observed to acquire primary data. The structural equation model (SEM) was analyzed with SmartPLS version 4. The study indicated that green prices had moderately significant correlations with the environmental protection of the study area, while place, product, and promotion had a modest impact on environmental protection. Furthermore, the coefficient path findings indicated that green price was the most influential variable of green marketing on environmental protection, followed by green products, green promotion, and green place, respectively. Generally, the research's findings indicate that the independent variables (green marketing) could explain 37.9% of the dependent variables (environmental protection), which confirmed that green marketing has significantly influenced environmental protection.
DOI: 10.17632/dyz85wzhcn
title: Detailed experimental data of long-term effect of photovoltaics self-heating (PVSH) on PV modules

description: Detailed data of the various stages of the long-term PVSH experiments, including electrical performance tests, wet leakage current tests, insulation tests, and electroluminescence tests on the PV module samples at various stages of the reverse energization. The damp heat tests and hot-spot endurance tests were conducted after 1000-hour reverse energization and their data are listed here. All the tests were carried out in strict accordance with IEC 61215-2 2016 standards in the process laboratory of Hefei JA Solar Technology Co., Std.
DOI: 10.17632/r5hp4spdjx
title: Structural basis for the evolution of a domesticated group II intron-like reverse transcriptase to function in host cell DNA repair

description: This is a raw data set for manuscript "Structural basis for the evolution of a domesticated group II intron-like reverse transcriptase to function in host cell DNA repair".
DOI: 10.17632/zt6hff53f4
title: Data tables of mineral and bulk-rock chemistry for rocks from Aitutaki and Rarotonga Islands, Cook Islands

description: Presented data include mineral compositions of a lherzolite xenolith (named AI70) with bulk major-element compositions and Sr-Nd-Pb isotope compositions of alkali basalts from Aitutaki and Rarotonga Islands, Cook Islands. The data provide an outlook for mantle heterogeneity in terms of mineral chemistry and Sr-Nd-Pb isotope geochemistry. Analytical methods are provided herein.
DOI: 10.5517/ccdc.csd.cc2m4n7p
title: CCDC 2417542: Experimental Crystal Structure Determination

description: Related Article: Benedito Donizeti Botan-Neto, David Santamaria-Perez, Lena Wedek, Lkhamsuren Bayarjargal, Ganesh Bera, Pablo Botella, Julio Pellicer-Porres, Alberto Otero-de-la-Roza, Catalin Popescu, Frederico G. Alabarse|2025|Inorg.Chem.|64|10067|doi:10.1021/acs.inorgchem.5c00642
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: 10.6084/m9.figshare.12382496.v1
title: Acute environmental temperature variation affects brain protein expression, anxiety and explorative behavior in adult zebrafish.

description: This work investigates the effect of a 4-day acute thermal treatment at 18 °C, 26 °C (control) and 34 °C on the nervous system of adult zebrafish (<i>Danio rerio</i>) by a multidisciplinary approach based on behavioural test and brain proteomic analysis. The behavioural variations induced by the thermal treatment were investigated by means of five different tests (novel tank diving, light and dark preference, social preference, mirror biting, Y-Maze) which are paradigms used on zebrafish for assessing anxiety, boldness, social preference, aggressiveness, and explorative behaviour, respectively. Proteomic data revealed that several proteins involved in energy metabolism, translation, protein synthesis, folding and degradation, cytoskeleton organization and synaptic vesiculation are differently regulated at the extreme temperatures. The results showed increased anxiety-like behaviour and the down regulation of the expression of proteins belonging to anxiety-related signalling pathways in zebrafish at 18 °C compared to those at 26 °C and 34 °C. Moreover, the treatment both at 18 °C and 34 °C alters the exploratory behaviour that appears not to be modulated by past experiences suggesting an impairment of cognitive abilities. The present study follows our previous works in which the effect of a 21-day chronic treatment at the same temperatures was investigated using the same experimental design, allowing to compare the effect of acute and chronic treatment on the nervous system of adult zebrafish.
DOI: 10.6084/m9.figshare.12543350.v1
title: JVASP-29114 tp JVASP-29982

description: JARVIS-DFT input/output files
DOI: 10.6084/m9.figshare.19188950.v1
title: iso- and ani-NEWTON21 tomographic models

description: Isotropic and anisotropic tomographic models from Rappisi et al., 2022
DOI: 10.6084/m9.figshare.24183489.v1
title: Follow list for Weibo users

description: Follow list for Weibo users
DOI: 10.11583/dtu.7599629.v2
title: Hourly timeseries data of wind and solar power production as well as electricity consumption for all of Denmark from the Danish TSO Energinet

description: This dataset contains measured timeseries of renewable energy production and electricity consumption as well as exchange with neighboring countries/continents on hourly time resolution. The timeseries data has been divided into two xml files, one for each of the Danish price regions; DK1 (Western Denmark) and DK2 (Eastern Denmark). The data comes from the Danish TSO Energinet and was used in a flexibility study by Karen Olsen in 2018-19 leading to a paper that is to appear in the proceedings of the ICAE19 conference and is entitled: "Data-driven flexibility requirements for current and future scenarios with high penetration of renewables". A journal paper has also been submitted using the same data.<br>The data has been extracted from a website run by Energinet at the following link where time series data is publicly available:https://www.energidataservice.dk/dataset/electricitybalance<br>The present version was extracted in September 2019 and contains installation and production data from 2011 until and including the beginning of September 2019.<br>The data is in the originally downloaded xml files, ready to be parsed by the python code written by Karen Olsen (see reference for Fanfare code).<br>Data used for analysis:- offshore wind power generated (column: "Offshore Wind Power" in the xml file)- onshore wind power generated (column: "Onshore Wind Power" in the xml file)<br>- solar power generated (column: "Solar Power Prod" in the xml file)<br>- gross consumption (column: "Gross Con" in the xml file)<br>Further information and code for analysis can be found under:https://kpolsen.github.io/FANFARE/<br><br>Contains data used pursuant to 'Conditions for use of Danish public-sector data' from the Energi Data Service portal (www.energidataservice.dk).<br>
DOI: 10.17632/fm7v4dzpfs
title: Data for: Data-driven hybrid multiple attribute decision-making model for green supplier evaluation and performance improvement
DOI: 10.5517/ccdc.csd.cc2ml15g
title: CCDC 2430405: Experimental Crystal Structure Determination

description: Related Article: Miaoyue Tian, Lei Ye, Mingzhe Wang, Xiaoqi Tian, Zhe Sun|2025|J.Am.Chem.Soc.|147|18122|doi:10.1021/jacs.5c04413
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.cc2ml17j
title: CCDC 2430407: Experimental Crystal Structure Determination

description: Related Article: Miaoyue Tian, Lei Ye, Mingzhe Wang, Xiaoqi Tian, Zhe Sun|2025|J.Am.Chem.Soc.|147|18122|doi:10.1021/jacs.5c04413
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: 10.6084/m9.figshare.2066037.v16
title: MNI space average T1-weighted MRI of the brain with anatomical labels.

description: MNI space average brain with associated labels. Many of these labels are lifted from Chris Rorden's micron.<br>parc268 is derived from: http://www.nature.com/neuro/journal/v18/n11/abs/nn.4135.html<br>yeo is from: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3174820/
DOI: 10.6084/m9.figshare.23931474.v1
title: Data.xlsx

description: Forty-eight teams, 20 athletes per team and a total of 960 athletes that participated in the soccer program of the most recent National Student Games of China were selected to participate in this data. Injuries and illnesses of the high school men’s group (HMG), the high school women’s group (HWG), the college men’s group (CMG) and the college women’s group (CWG).
DOI: 10.6084/m9.figshare.24548398.v1
title: 婴儿相关刺激眼球运动数据.xlsx

description: 产前抑郁症注意偏向模式：一项眼动追踪研究
DOI: 10.6084/m9.figshare.28189154.v1
title: Data set: Weighting uncertainty analysis method for sustainable supplier selection

description: This data set was used to validate the applicability of the weighting uncertainty analysis method for sustainable supplier selection in the manufacturing industry. Four corporate experts evaluated 19 criteria among 19 uncertainties. They first assessed the effect of the 19 uncertainties among the 19 criteria using Walker’s framework. Then, they elicited their significance preferences of the 19 criteria by utilising a fuzzy trapezoidal five-point linguistic scale.
DOI: 10.6084/m9.figshare.28428983.v1
title: Supplementary Material for: Stage I Non-Seminomatous Testicular Cancer. Long-term follow-up with surveillance approach post-orchiectomy.

description: Introduction: Adjuvant treatment for patients with stage I non-seminomatous germ cell tumors (NSGCT) could be active surveillance (AS), chemotherapy, or retro-peritoneal lymph node dissection (RLND). AS is the preferred option in most cas-es. The aim of this study was to evaluate long-term survival and prognostic factors in our population with AS approach.
Methods: We collected information from patients with stage I NSGCT of the testis in medical records from 1995 to 2016. Patients had negative serum tumor mark-ers and imaging of chest, abdomen, and pelvis with no evidence of metastasis. At relapse, if occurs, patients were treated with chemotherapy, surgery, or both. Kaplan-Meier method was used to estimate survival. Relationships with outcomes were analyzed using multivariable Cox regression and log-rank analysis.
Results: 457 patients were included. The median age at diagnosis was 25 years. The median follow-up was 65.3 meses (range 12 to 270 months). Relapses were detected in 92 (20%) patients with a median time to recurrence of 7.1 months (range 1.1 to 123 months). Retroperitoneal lymph nodes were the most common site of relapsed (41.3%), and most patients presented biochemical and imaging recurrence (67.4%). Vascular invasion (VI) was significantly associated with re-currence [HR 2.38 (CI 95%, 1.24-4.56), p=0.008] in the multivariate analysis, and rete testis invasion in the univariate analysis (p=0.027). After salvage treatment, 83 patients (91.1%) were disease-free. The overall survival was 98.25% at 20 years. 
Conclusions: AS is an effective non-adapted risk-based approach in patients with stage I NSGCT. Almost 100% are alive at 20 years. Nearly all relapses were cured with salvage therapy. Toxicity related to adjuvant treatments, as well as overtreatment, could be avoided.
DOI: 10.6084/m9.figshare.29117558.v2
title: Corpus of MOFs-LLM

description: A domain-specific large language model, MOFs-LLM, is developed to accelerate the inverse design and synthesis of metal–organic frameworks (MOFs) for hydrogen storage. Trained on 210 million tokens derived from over 6,000 MOF-related publications and 15,000 crystal structures, the model integrates chemical knowledge with structural features to improve structure–property reasoning. Compared to baseline methods, MOFs-LLM achieves a 46.7% enhancement in capturing structure–property relationships. It enables the inverse design of 60 candidate frameworks optimized for both hydrogen storage performance and synthetic accessibility. Guided by the model, a novel MOF (Cu-LLMs-1) was synthesized in three experimental iterations, exhibiting a hydrogen uptake of 1.33 wt% at room temperature, ranking among the top five pure MOFs under comparable conditions. These findings highlight the potential of domain-trained language models to bridge virtual screening and experimental realization in materials discovery.
DOI: 10.6084/m9.figshare.3561291.v1
title: Appendix B. Calculation of niche overlap.

description: Calculation of niche overlap.
DOI: 10.6084/m9.figshare.4780321.v1
title: Trial averaged LFP/CSD for Figure 2

description: Computing psd from the csd for figure 2<br>
DOI: 10.6084/m9.figshare.5607049.v1
title: MH9 - Mean maximum monthly flows

description: IHA metric describing mean maximum monthly flow in m3 s-1. Covering 64 years (1950-2013) for German stream network (1km grid cells)
DOI: 10.17632/br99dx3yp5
title: Real-world experience of bimekizumab for plaque psoriasis in adult patients with prior exposure to interleukin-17 inhibitors: A 52-week multicenter retrospective review

description: Bimekizumab is the most recent interleukin (IL)-17 inhibitors (IL-17i) approved for plaque psoriasis in adult patients. Despite biologic switching being common in routine clinical practice, evidence remains sparse regarding switching within class from another IL-17i to bimekizumab. We conducted a real-world study of bimekizumab use in patients with prior IL-17i exposure.
DOI: 10.17632/bwb9wgkwf7
title: Sustainable management

description: this is the raw data obtained from the respondents during the data collection. It is saved in the sav format to allow for processing using software like the IBM SPSS and the SmartPLS. Our research outcomes are, therefore, based on this data which can be used by other scholars in their related studies
DOI: 10.5517/ccdc.csd.cc2ml18k
title: CCDC 2430408: Experimental Crystal Structure Determination

description: Related Article: Miaoyue Tian, Lei Ye, Mingzhe Wang, Xiaoqi Tian, Zhe Sun|2025|J.Am.Chem.Soc.|147|18122|doi:10.1021/jacs.5c04413
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: 10.6084/m9.figshare.12745394.v1
title: Bacterial +ssRNA virus Hidden Markov Models

description: Profile Hidden Markov Models for the detection and taxonomic characterisation of bacterial +ssRNA viruses. ICTV proposed taxonomy: Leviviricetes. Last updated: 31/07/2021.
DOI: 10.6084/m9.figshare.23171276.v1
title: cell type reference data (from single cell sequencing)

description: This is the cell type reference from a single-cell dataset.
DOI: 10.6084/m9.figshare.23941890.v1
title: Taihu Resort Geotechnical Report

description: Field geotechnical survey of Taihu Resort Cut Slope Failure in Suzhou, China
DOI: 10.6084/m9.figshare.6866747.v2
title: Data S1.csv

description: <b>Description:</b> <b>data_S1.csv - </b>It is a comma-delimited file that contains data on landscape structure, vegetation complexity, fruit biomass and diversity of forest frugivorous and non-forest frugivorous birds obtained for 20 forest sites within Brazilian Atlantic forest.This dataset was used to the accepted manuscript for publication in Ecological Applications<br>Morante-Filho, JC, Arroyo-Rodriguez, V, Pessoa, M, Cazetta, E, Faria, D. Direct and cascading effects of landscape structure on tropical forest and non-forest frugivorous birds. Ecological Applications.
DOI: 10.17632/6w3vy3ybhg
title: Data-set for Independent Gas turbine for Electricity Generation.

description: This dataset contains the raw, filtered and related parameters for the real-power measurements in an Independent 5.68 MW Gas turbine used for Electrical power generation. It also contains the correlation matrices of all 50 features of the complete dataset and that of the real power measurement related parameters.
DOI: 10.17632/jcdxrw3z92
title: Data from 'Wetland plant hydrological zonation predicted from observed water depth'

description: This repo included four files: two datasets (one used to build, the other to validate, a model of wetland plant zonation), the fitted model object ('topmod') of class(brmsfit), and, an R script to reproduce the analysis. 

Each dataset consists of presence-absence of plants within quadrats, within wetlands, where plant species identity has been used to assign one of three hydrological response groups: T = terrestrial, A = amphibious, S = submerged. These are based on the water plant functional group classification of Casanova & Brock (2000, Plant Ecology V 147, pp 237-250). Accompanying the species / hydrological group composition for each quadrat is an observed depth measurement. All quadrats were observed in the local (Austral) Spring. The build data (n = 813 observations of 1 x 1 m quadrats across 12 wetland complexes in temperate Southeast Australia) were collected in October 2013; the validation data (n = 198, 23 wetland complexes) are completely independent of the model build data and were compiled from multiple monitoring programs over the period 2008-2012. Wetlands were from the same region, but were largely not sampled in the surveys used in the model build dataset.

The central premise of the study is that wetland hydrological niche space can be conceptualized as comprising three distinct zones, respectively dominated by fringing terrestrial, amphibious, and submerged species. This offers a framework to predict high-level impacts on wetland vegetation, characterizing the hydrological niche using the observed water depth in the Spring growing season and defining vegetation zones as the relative number of species adapted to terrestrial, amphibious, and submerged conditions (hydrological group richness, HGR). 

A regression model was first developed using the build data to predict the hydrological conditions (ie depth) marking transition points between these zones. The model explained 0.72 of variation in HGR, predicting submerged-terrestrial (median ± [95% credible intervals] = 13 [7, 22] cm) and submerged-amphibious transitions (62 [50, 72] cm) directly and estimating amphibious-terrestrial transitions (predicted to occur below ground; -8 [-18, -2] cm) from extrapolation. 

These thresholds were tested using the validation data and predictive performance decreased in the order submerged-terrestrial &gt; amphibious-terrestrial &gt; submerged-amphibious transitions. Only the latter proved unreliable (Cohen’s kappa = 0.73, 0.59 and 0.10 respectively). Results suggest it could be possible to identify critical wetland tipping points at the dry end of the hydrological niche using only simple summary statistics and show improved precision in predicting terrestrial-amphibious transitions (a critical tipping point in climatic drying risk) will require a focus shallow sub-surface (e.g., 0 to -20 cm) saturation dynamics.
DOI: 10.6084/m9.figshare.14054873.v1
title: RotorMount_CAD

description: CAD files for the 3D printable motorized rotation mount for optical applications.<br>