cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/26ck9stzh9.1
title: Polar Shift: Charge carrier polarization energies in organic electronic materials

description: Electronic polarization of charge carriers in the solid state plays an important role in organic electronics, as it alters the gas phase energy levels associated with phenomena such as charge transport, molecular doping, charge injection and charge separation at interfaces. In this article we present Polar Shift, a software package for calculating the polarization energy of an electron or hole charge carrier in organic electronic materials. The software uses an atomistic approach employing the microelectrostatics model. Molecular charge distributions are represented by atomic point charges, while the molecular polarizability is divided into distributed atomic contributions. The electrostatic and inductive components of the polarization energy are calculated separately. For the electrostatic interactions we propose an efficient cutoff–based scheme that allows fast yet accurate evaluation of the relevant energy. For the induction part we use a self–consistent iterative method based on modified field interaction tensors in the framework of the Thole model. Polar Shift can be applied to ideal molecular crystals, thermally disordered crystalline packings or completely amorphous materials. Many additional features are implemented such as calculation of the molecular polarizability tensor, fitting of molecular polarizabilities to reference values, different schemes for computing induction energies, and extrapolation of induction energies to the bulk limit. Special attention has been paid to the interoperability with other software packages, so Polar Shift can obtain the required input from various widely used file types such as pdb, mol2 or even binary dcd files. The software is parallelized using the MPI standard thus exploiting a wide range of shared and distributed memory computer architectures. Polar Shift is applied to eight different test cases of prototype organic electronics materials demonstrating its capabilities, and the results are compared with existing literature.
DOI: 10.17632/28hkvsg7p2
title: QLBM – A quantum lattice Boltzmann software framework

description: We present QLBM, a Python software package designed to facilitate the development, simulation, and analysis of Quantum Lattice Boltzmann Methods (QBMs). QLBM is a modular framework that introduces a quantum component abstraction hierarchy tailored to the implementation of novel QBMs. The framework interfaces with state-of-the-art quantum software infrastructure to enable efficient simulation and validation pipelines, and leverages novel execution and pre-processing techniques that significantly reduce the computational resources required to develop quantum circuits. We demonstrate the versatility of the software by showcasing multiple QBMs in 2D and 3D with complex boundary conditions, integrated within automated benchmarking utilities. Accompanying the source code are extensive test suites, thorough online documentation resources, analysis tools, visualization methods, and demos that aim to increase the accessibility of QBMs while encouraging reproducibility and collaboration.
DOI: 10.17632/28hkvsg7p2.1
title: QLBM – A quantum lattice Boltzmann software framework

description: We present QLBM, a Python software package designed to facilitate the development, simulation, and analysis of Quantum Lattice Boltzmann Methods (QBMs). QLBM is a modular framework that introduces a quantum component abstraction hierarchy tailored to the implementation of novel QBMs. The framework interfaces with state-of-the-art quantum software infrastructure to enable efficient simulation and validation pipelines, and leverages novel execution and pre-processing techniques that significantly reduce the computational resources required to develop quantum circuits. We demonstrate the versatility of the software by showcasing multiple QBMs in 2D and 3D with complex boundary conditions, integrated within automated benchmarking utilities. Accompanying the source code are extensive test suites, thorough online documentation resources, analysis tools, visualization methods, and demos that aim to increase the accessibility of QBMs while encouraging reproducibility and collaboration.
DOI: 10.15468/dl.nkzn26
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Achnanthes oblongella Ostrup, 1902",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((27.1586 -33.5889,28.2048 -32.9007,25.5395 -32.9007,25.5395 -34.1098,25.6468 -34.1222,25.7787 -34.0734,25.7098 -33.9109,25.8639 -33.797,26.4806 -33.8473,27.1586 -33.5889))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054424-250525065834625/datasets/export for details.
DOI: 10.17632/zbjsp846kv
title: Test1

description: Fig.S10
DOI: 10.17632/zbjsp846kv.1
title: Test1

description: Fig.S10
DOI: 10.17632/k7rsk7vcf2
title: Ecological Processes and Environmental Gradients Drive Soil Eukaryotic Beta Diversity Across a Wetland Restoration Gradient

description: NCBI eukaryotic sequence data
Soil physical and chemical properties data during wetland restoration
DOI: 10.17632/k7rsk7vcf2.1
title: Ecological Processes and Environmental Gradients Drive Soil Eukaryotic Beta Diversity Across a Wetland Restoration Gradient

description: NCBI eukaryotic sequence data
Soil physical and chemical properties data during wetland restoration
DOI: 10.15468/dl.sg2wfu
title: Occurrence Download

description: A dataset containing 52 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Actaea spicata L., Bidens cernua L., Buxbaumia viridis (Moug. ex DC.) Brid. ex Moug. & Nestl., Cardamine pentaphyllos (L.) Crantz, Carex caudata (Kük.) Pereda & Laínz, Carex paniculata subsp. lusitanica (Willd.) Maire, Carex paniculata subsp. paniculata, Carex strigosa Huds., Carpinus betulus L., Dicranum viride (Sull. & Lesq.) Lindb., Dryopteris carthusiana (Vill.) H.P.Fuchs, Empetrum nigrum subsp. hermaphroditum (Hagerup) Böcher, Epipactis fageticola (C.E.Hermos.) Devillers-Tersch. & Devillers, Epipogium aphyllum Sw., Erica lusitanica Rudolphi, Galanthus nivalis L., Genista elias-sennenii Uribe-Ech. & Urrutia, Genista florida L., Hieracium umbrosum Jord., Hymenophyllum tunbrigense (L.) Sm., Hypericum linariifolium Vahl, Juniperus thurifera L., Lathraea squamaria L., Lathyrus vivantii P.Monts., Leucanthemum maximum (Ramond) DC., Leuzea DC., Narcissus pallidiflorus Pugsley, Narcissus L., Narcissus triandrus subsp. triandrus, Paeonia officinalis subsp. microcarpa (Boiss. & Reut.) Nyman, Prunus lusitanica subsp. lusitanica, Prunus padus L., Pulsatilla alpina subsp. font-queri M.Laínz & P.Monts., Saxifraga clusii Gouan, Soldanella villosa Darracq ex Labarrère, 1850, Sorbus hybrida (L.) L., Spergularia capillacea (Kindb. & Lange) Willk., Stegnogramma pozoi (Lag.) K.Iwats., Vandenboschia speciosa (Willd.) G.Kunkel, Woodwardia radicans (L.) Sm., Maianthemum bifolium (L.) F.W.Schmidt, Ranunculus auricomus L., Orthotrichum rogeri Brid.)",
 "Geometry POLYGON ((-1.240881 42.97261, -1.13563 42.97094, -1.133517 43.04075, -1.238887 43.04242, -1.240881 42.97261))",
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 }
 ]
}

 The dataset includes 52 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054425-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/8pqe96
title: Sponges of the Israeli Mediterranean waters

description: This dataset contains observations extracted from a variety of scientific articles and reports regarding the faunistics of sponges inhabiting rocky substrates along the shelf of Israeli waters between 1962-to date.
DOI: 10.17632/nch8ntprcr
title: Daily Snow Depth Fusion Dataset for Central Asia

description: This dataset employs the XGBoost (XGB) machine learning model, adopting a seasonal modeling strategy (winter, spring, and autumn) to integrate the advantages of multiple daily snow depth (SD) products, including ERA5-Land, ERA5, JRA-55, MERRA-2, and GLDAS, based on in-situ SD observations. By coupling multi-dimensional covariates such as topography, meteorological factors, temporal variables, land use, and snow-related parameters, a high-precision daily SD fusion model was developed for Central Asia (CA). The model was then applied to generate a 0.1° daily SD fusion product for CA spanning 1990–2023 (covering winter, spring, and autumn). Evaluation results demonstrate that the dataset achieves an RMSE of 4.1 cm, MAE of 2.3 cm, and R of 0.96 across the CA region, significantly improving accuracy compared to other existing SD products. This dataset provides reliable data support for climate change studies, water resource management, and disaster early warning systems in Central Asia.
DOI: 10.18112/openneuro.ds006367.v1.0.0
title: Memory Reactivation Levels Remain Unaffected by Anticipated Interference, Experiment 1 Dataset
DOI: 10.17632/nch8ntprcr.1
title: Daily Snow Depth Fusion Dataset for Central Asia

description: This dataset employs the XGBoost (XGB) machine learning model, adopting a seasonal modeling strategy (winter, spring, and autumn) to integrate the advantages of multiple daily snow depth (SD) products, including ERA5-Land, ERA5, JRA-55, MERRA-2, and GLDAS, based on in-situ SD observations. By coupling multi-dimensional covariates such as topography, meteorological factors, temporal variables, land use, and snow-related parameters, a high-precision daily SD fusion model was developed for Central Asia (CA). The model was then applied to generate a 0.1° daily SD fusion product for CA spanning 1990–2023 (covering winter, spring, and autumn). Evaluation results demonstrate that the dataset achieves an RMSE of 4.1 cm, MAE of 2.3 cm, and R of 0.96 across the CA region, significantly improving accuracy compared to other existing SD products. This dataset provides reliable data support for climate change studies, water resource management, and disaster early warning systems in Central Asia.
DOI: 10.15468/dl.p2uej2
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is iNaturalist Research-grade Observations",
 "OccurrenceStatus is Present",
 "TaxonKey is Phymaturus extrilidus Lobo, Espinoza, Sanabria & Quiroga, 2012"
 ]
}

 The dataset includes 6 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054426-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/zpxkk3m398
title: Cardiorespiratory Capacity and Antropometry in Disability

description: Anthropometric variables and 6-minute walk test results for adults with disabilities.
DOI: 10.17632/zpxkk3m398.1
title: Cardiorespiratory Capacity and Antropometry in Disability

description: Anthropometric variables and 6-minute walk test results for adults with disabilities.
DOI: 10.5281/zenodo.13341596
title: Mountain gorilla gesture action example videos

description: These are example videos of mountain gorilla (Gorilla beringei beringei) gesture actions. Gesture actions observed on at least 3 occasions are considered as part of the mountain gorilla repertoire (n = 63 gesture actions). An additional n = 12 actions (examples with (?) after the name) are included for reference - these were observed on fewer than three occasions and are currently not incorporated into the mountain gorilla gesture action repertoire.
DOI: 10.5281/zenodo.13341597
title: Mountain gorilla gesture action example videos

description: These are example videos of mountain gorilla (Gorilla beringei beringei) gesture actions. Gesture actions observed on at least 3 occasions are considered as part of the mountain gorilla repertoire (n = 63 gesture actions). An additional n = 12 actions (examples with (?) after the name) are included for reference - these were observed on fewer than three occasions and are currently not incorporated into the mountain gorilla gesture action repertoire.
DOI: 10.17632/76zz3d74r6
title: Sleep-PFI CHARLS

description: This repository contains the raw analytical dataset and R code used for the study titled: "The relationship between sleep duration and psychological frailty in Chinese older adults: evidence from the China Health and Retirement Longitudinal Study (CHARLS)".
Data Description:
The raw analytical dataset is derived from the China Health and Retirement Longitudinal Study (CHARLS) 2011 baseline and 2018 fourth wave. This dataset includes key variables on sleep duration (nighttime sleep, nap duration, total sleep), the calculated Psychological Frailty Index (PFI), and essential sociodemographic, lifestyle, and chronic disease covariates for 9,476 participants aged 45 years and older. Please note that direct access to the full CHARLS raw data may require application through the CHARLS official website, as per their data usage policy. This uploaded dataset represents the processed analytical file used in our specific analyses.

Code Description:
The accompanying R code files provide the complete workflow for data processing, statistical analysis, and figure generation as presented in our manuscript. The scripts include:

Data cleaning and variable creation (e.g., PFI calculation, sleep duration categorization).
Multivariable logistic regression models for assessing associations.
Restricted cubic spline regression for exploring nonlinear dose-response relationships.
Code for stratified analyses and forest plot generation.
Scripts for generating all figures and tables presented in the publication.
Purpose of Sharing:
We share these resources to enhance the transparency, reproducibility, and verifiability of our research findings. Researchers are welcome to use these files to replicate our analyses or to conduct further investigations.
DOI: 10.17632/76zz3d74r6.1
title: Sleep-PFI CHARLS

description: This repository contains the raw analytical dataset and R code used for the study titled: "The relationship between sleep duration and psychological frailty in Chinese older adults: evidence from the China Health and Retirement Longitudinal Study (CHARLS)".
Data Description:
The raw analytical dataset is derived from the China Health and Retirement Longitudinal Study (CHARLS) 2011 baseline and 2018 fourth wave. This dataset includes key variables on sleep duration (nighttime sleep, nap duration, total sleep), the calculated Psychological Frailty Index (PFI), and essential sociodemographic, lifestyle, and chronic disease covariates for 9,476 participants aged 45 years and older. Please note that direct access to the full CHARLS raw data may require application through the CHARLS official website, as per their data usage policy. This uploaded dataset represents the processed analytical file used in our specific analyses.

Code Description:
The accompanying R code files provide the complete workflow for data processing, statistical analysis, and figure generation as presented in our manuscript. The scripts include:

Data cleaning and variable creation (e.g., PFI calculation, sleep duration categorization).
Multivariable logistic regression models for assessing associations.
Restricted cubic spline regression for exploring nonlinear dose-response relationships.
Code for stratified analyses and forest plot generation.
Scripts for generating all figures and tables presented in the publication.
Purpose of Sharing:
We share these resources to enhance the transparency, reproducibility, and verifiability of our research findings. Researchers are welcome to use these files to replicate our analyses or to conduct further investigations.
DOI: 10.34740/kaggle/dsv/12208096
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.17632/yrcp4jk9z7
title: Computational data for the article »The importance of chemical transformations of adsorbed molecules for corrosion inhibition: mercaptobenzimidazoles on copper«

description: This dataset contains Quantum ESPRESSO (QE) input/output (I/O) files for results presented in the manuscript entitled "The importance of chemical transformations of adsorbed molecules for corrosion inhibition: mercaptobenzimidazoles on copper" by A. Kokalj, E. Gregori, B. Kapun, and I. Milošev, submitted to Applied Surface Science.

The zip file unzips into the folder: MendeleyData. Please read the README.txt file therein for further descriptions of the files.
DOI: 10.15468/dl.rn4wpv
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (China, India, Myanmar, Nepal, Bhutan, Bangladesh, Pakistan, Afghanistan)",
 "TaxonKey is Alpherakya sarta"
 ]
}

 The dataset includes 9 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054427-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/yrcp4jk9z7.1
title: Computational data for the article »The importance of chemical transformations of adsorbed molecules for corrosion inhibition: mercaptobenzimidazoles on copper«

description: This dataset contains Quantum ESPRESSO (QE) input/output (I/O) files for results presented in the manuscript entitled "The importance of chemical transformations of adsorbed molecules for corrosion inhibition: mercaptobenzimidazoles on copper" by A. Kokalj, E. Gregori, B. Kapun, and I. Milošev, submitted to Applied Surface Science.

The zip file unzips into the folder: MendeleyData. Please read the README.txt file therein for further descriptions of the files.
DOI: 10.15468/dl.bhddbv
title: Occurrence Download

description: A dataset containing 33 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "Country is Argentina",
 "TaxonKey is Kinosternon scorpioides (Linnaeus, 1766)"
 ]
}

 The dataset includes 33 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054429-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.td93gm
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Achnanthes oblongella Ostrup, 1902",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((18.2339 -32.5266,18.1411 -32.657,18.1007 -32.7021,18.0224 -32.6366,17.8923 -32.6419,17.754 -32.8255,17.7723 -32.9007,20.509 -32.9007,20.509 -28.5786,16.2782 -28.5786,16.4358 -28.7202,16.726 -29.1235,17.1957 -30.3752,17.6655 -31.1743,18.1322 -31.7679,18.2495 -32.2638,18.2339 -32.5266))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054428-250525065834625/datasets/export for details.
DOI: 10.17632/8vnsjrhs4j
title: EXIT to CDH

description: Congenital diaphragmatic hernia (CDH) necessitates prompt intervention to mitigate life-threatening pulmonary complications.The thoracoscopic repair under ex utero intrapartum treatment (EXIT) is a novel strategy combining fetal surgery principles with neonatal resuscitation.
DOI: 10.17632/8vnsjrhs4j.1
title: EXIT to CDH

description: Congenital diaphragmatic hernia (CDH) necessitates prompt intervention to mitigate life-threatening pulmonary complications.The thoracoscopic repair under ex utero intrapartum treatment (EXIT) is a novel strategy combining fetal surgery principles with neonatal resuscitation.
DOI: 10.15468/dl.u9rzdc
title: Occurrence Download

description: A dataset listing the 545 species recorded in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Geometry POLYGON((28.29611 -27.2874,28.30812 -27.27379,28.34669 -27.29607,28.35159 -27.28355,28.33412 -27.27865,28.31298 -27.26639,28.31121 -27.26528,28.30769 -27.27165,28.30234 -27.26744,28.29042 -27.26355,28.29611 -27.2874))",
 "Geometry POLYGON((28.11197 -27.46575,28.56217 -27.46575,28.55549 -27.14447,28.10863 -27.14647,28.11197 -27.46575))"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset's 545 records were derived from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054399-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/hrp3mwjmh8
title: Characteristics and outcomes of expansion cohorts in phase 1 oncology trials: a systematic review

description: Phase 1 clinical trials have evolved markedly over the last decade. The urgent need for drug development for cancer patients, together with the greater complexity of novel therapies, have led to the increasing importance of expansion cohorts (ECs) within phase 1 trial design. 
We conducted a systematic review of MEDLINE and EMBASE, focusing on oncology phase 1 trials with ECs involving adult participants published from 2019 to 2023. The objective was to assess the characteristics, purpose and outcomes of ECs. Descriptive analysis was performed, and a mixed-effects meta-regression model was conducted to analyse the response rates.
479 published phase 1 trials with ECs were analysed. The objective of the ECs was clearly stated in 55.7% of studies (76.8% safety, 16.5% dose refinement, 25.8% pharmacokinetics, 22.1% pharmacodynamics, 77.5% efficacy). 117 trials (24.4%) included a statistical justification plan. The mean Overall Response Rate (ORR) for studies recruiting solid tumour patients was 20.2% versus 46.8% for haematological trials. Antibody-drug conjugate trials showed the highest mean ORR (32.1%) and DCR (70.6%) among the classes of drugs. Combination trials, Trials which included a statistical justification for the expansion cohort, Haematology trials and Trials not containing Immunotherapy were significantly related with higher ORR. 59.1% of the reviewed studies progressed to later-stage trials registered in clinicaltrials.gov. 
ECs have evolved to become large dynamic studies which enrol more patients, focus on efficacy as well as safety, and involve novel therapies. This study highlights the importance of statistical justification and clear statement of ECs objectives to ensure meaningful early-phase trial outcomes.