cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15156/bio/sh1091476.10fu
title: SH1091476.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1091477.10fu
title: SH1091477.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.5281/zenodo.17448559
title: Supplementary tables for " Serum vitamin D levels over time and the incidence of atrial fibrillation in The HUNT Study"

description: This dataset contains supplementary tables referenced in the manuscript published in Journal of the Endocrine Society.
DOI: 10.5281/zenodo.17448560
title: Supplementary tables for " Serum vitamin D levels over time and the incidence of atrial fibrillation in The HUNT Study"

description: This dataset contains supplementary tables referenced in the manuscript published in Journal of the Endocrine Society.
DOI: 10.15468/dl.73dyvg
title: Occurrence Download

description: A dataset containing 646 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Italy",
 "Geometry POLYGON((-28.58604 30.78680,77.58604 30.78680,77.58604 73.21320,-28.58604 73.21320,-28.58604 30.78680))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Rosalia alpina"
 ]
}

 The dataset includes 646 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000955-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jqzpbz
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Madagascar",
 "TaxonKey is Gromphadorhina oblongonota"
 ]
}

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000956-251025141854904/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.30085429
title: Pauletti et al._bioresponsive hydrogel_data tables

description: The overall objective of this project is to develop bioresponsive multifunctional hydrogel formulations suitable for establishing a highly viscous physical barrier at the cervicovaginal junction and, simultaneously, maintaining an acidic vaginal environment in the presence of alkaline semen to fortify the natural contraceptive barriers without the need for inclusion of a pharmacologically active drug molecule. To accomplish the desired contraceptive endpoint, this study describes selection of pharmaceutically acceptable formulation excipients, assessment of bioresponsive viscoelastic properties, and gel phase pH values under simulated physiological conditions in vitro, estimation of cervicovaginal safety and contraceptive efficacy in vitro, as well as safety and contraceptive efficacy in vivo using the rabbit model.
DOI: 10.6084/m9.figshare.30085429.v1
title: Pauletti et al._bioresponsive hydrogel_data tables

description: The overall objective of this project is to develop bioresponsive multifunctional hydrogel formulations suitable for establishing a highly viscous physical barrier at the cervicovaginal junction and, simultaneously, maintaining an acidic vaginal environment in the presence of alkaline semen to fortify the natural contraceptive barriers without the need for inclusion of a pharmacologically active drug molecule. To accomplish the desired contraceptive endpoint, this study describes selection of pharmaceutically acceptable formulation excipients, assessment of bioresponsive viscoelastic properties, and gel phase pH values under simulated physiological conditions in vitro, estimation of cervicovaginal safety and contraceptive efficacy in vitro, as well as safety and contraceptive efficacy in vivo using the rabbit model.
DOI: 10.5281/zenodo.17448558
title: Jovian Zonal Winds Data from Cassini/VIMS Observations

description: The calibrated I/F data as well as the velocity calibration curve.
DOI: 10.5281/zenodo.17236978
title: Microplastics characteristics and environmental correlates of their presence in the nests of white stork: An evidence for biotransfer and biocirculation in the ecosystem
DOI: 10.5281/zenodo.17236979
title: Microplastics characteristics and environmental correlates of their presence in the nests of white stork: An evidence for biotransfer and biocirculation in the ecosystem
DOI: 10.15468/dl.vvrc94
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Xenesthis monstrosa"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000957-251025141854904/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/13508848
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.5281/zenodo.17448631
title: Microkinetics of CO2 hydrogenation to methanol on In2O3-supported Ni-In clusters Dataset

description: Dataset: 

Structures for the mechanism of CO2 conversion to methanol and CO on Ni2In6 and Ni6In2-In2O3.

Repository layout:

./

├── Ni2In6/ # Mechanism on Ni₂In₆

│ ├── 1_h2_to_2h/

│ │ ├── is/ # Initial state

│ │ ├── ts/ # Transition state 

│ │ └── fs/ # Final state

│ ├── 2_2h_o_to_oh_h/

│ └── ...

└── Ni6In2/ # Mechanism on Ni₆In₂ (same structure)

└── ...

Scope:

Each subfolder encodes one elementary step in the reaction network and corresponds to the numbering in Figure 2 of the manuscript.

The folder name also gives a mnemonic reaction label (e.g., 1_h2_to_2h). Common tokens: g = gas‑phase species (e.g., h2g, cog).

For surface elementary reaction steps initial, transition and final states are given. 

For adsorption/desorption, the structure of the adsorbate is given under./adsorbate_state. 

Each subfolder contains the structure in .xyz format.
DOI: 10.6084/m9.figshare.30449018
title: vegetation characteristics and soil respiration components

description: This study systematically evaluates how elevational gradients modulate the effects of (1) vegetation functional traits and (2) soil physicochemical properties on soil respiration components dynamics.<b> </b>Five <i>Pinus taiwanensis</i> forests along different elevations in the Wuyi Mountain were used to explore how the annual fluxes of total soil respiration (<i>R</i><sub>S</sub>), autotrophic respiration (<i>R</i><sub>A</sub>), and heterotrophic respiration (<i>R</i><sub>H</sub>) were regulated by vegetation characteristics, including vegetation C assimilation capacity (<i>V</i><sub>C</sub>), 0-20 cm root biomass (<i>W</i><sub>R</sub>), litter production (<i>P</i><sub>L</sub>), leaf area index (LAI), and also soil properties, including soil temperature (ST), soil moisture (SM), fungal PLFAs (phospholipid fatty acid content) and bacterial PLFAs.
DOI: 10.6084/m9.figshare.30449018.v1
title: vegetation characteristics and soil respiration components

description: This study systematically evaluates how elevational gradients modulate the effects of (1) vegetation functional traits and (2) soil physicochemical properties on soil respiration components dynamics.<b> </b>Five <i>Pinus taiwanensis</i> forests along different elevations in the Wuyi Mountain were used to explore how the annual fluxes of total soil respiration (<i>R</i><sub>S</sub>), autotrophic respiration (<i>R</i><sub>A</sub>), and heterotrophic respiration (<i>R</i><sub>H</sub>) were regulated by vegetation characteristics, including vegetation C assimilation capacity (<i>V</i><sub>C</sub>), 0-20 cm root biomass (<i>W</i><sub>R</sub>), litter production (<i>P</i><sub>L</sub>), leaf area index (LAI), and also soil properties, including soil temperature (ST), soil moisture (SM), fungal PLFAs (phospholipid fatty acid content) and bacterial PLFAs.
DOI: 10.15468/dl.d8rgu9
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Xenesthis intermedia"
 ]
}

 The dataset includes 10 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000958-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17448699
title: Phase velocity model for NEC
DOI: 10.15468/dl.k4ebnd
title: Occurrence Download

description: A dataset containing 3698 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "Geometry POLYGON((-74.17245 4.71068,-74.17048 4.70404,-74.16455 4.70457,-74.13638 4.68281,-74.13025 4.69048,-74.12567 4.68635,-74.12084 4.69199,-74.15446 4.7179,-74.15706 4.7179,-74.15999 4.72082,-74.17018 4.71529,-74.17245 4.71068))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Aves",
 "Year 2010-2025"
 ]
}

 The dataset includes 3698 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000959-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17448743
title: THE DEVELOPMENT AND FORMATION OF COGNITIVE COMPETENCES

description: This article analyzes cognitive competence skills based on the acmeological approach. It is known that with the help of this approach, every pedagogue gets excellent results while developing his professional skills. At the same time, if the aspects of adaptation of pedagogues to their profession are studied, pedagogical conditions are identified and problems are eliminated, if such a systematic approach strategy is put into practice, the desired goal will be achieved.
DOI: 10.5281/zenodo.17448744
title: THE DEVELOPMENT AND FORMATION OF COGNITIVE COMPETENCES

description: This article analyzes cognitive competence skills based on the acmeological approach. It is known that with the help of this approach, every pedagogue gets excellent results while developing his professional skills. At the same time, if the aspects of adaptation of pedagogues to their profession are studied, pedagogical conditions are identified and problems are eliminated, if such a systematic approach strategy is put into practice, the desired goal will be achieved.
DOI: 10.15468/dl.sv6gem
title: Occurrence Download

description: A dataset containing 36 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Xenesthis immanis"
 ]
}

 The dataset includes 36 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000960-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.26165/juelich-data/971jcz
title: Annual groundwater recharge (1971-2099) in Germany (200 m grid) with the identifier R85-HG2-RCA_mGROWA20210515

description: Annual groundwater recharge (1971-2099) in Germany (200 m grid) with the identifier R85-HG2-RCA_mGROWA20210515
DOI: 10.15468/dl.qywx8h
title: Occurrence Download

description: A dataset containing 81 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Vitalius wacketi"
 ]
}

 The dataset includes 81 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000962-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.svvgrb
title: Occurrence Download

description: A dataset containing 1263 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Cuphea thymoides"
 ]
}

 The dataset includes 1263 records from 86 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000963-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17448828
title: Employee Performance at an Engineering Consulting Firm
DOI: 10.5281/zenodo.17448829
title: Employee Performance at an Engineering Consulting Firm
DOI: 10.15468/dl.vaj3gj
title: Occurrence Download

description: A dataset containing 269 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Asia",
 "Country is China",
 "TaxonKey is Dysphania ambrosioides"
 ]
}

 The dataset includes 269 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000964-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.j587kk
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Thrixopelma pruriens"
 ]
}

 The dataset includes 8 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000965-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yj9xxu
title: Occurrence Download

description: A dataset containing 604 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Asia",
 "Country is one of (China, Chinese Taipei)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Dysphania ambrosioides"
 ]
}

 The dataset includes 604 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000966-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17448844
title: Q-Phone 2027: A Theoretically Rigorous Conceptual Design for a Mobile 7-Qubit Transmon Quantum Processor with In-Situ $T_1$ Coherence Metrology under 6-DOF Motion

description: This work presents a conceptual, theoretically rigorous, and experimentally actionable design for the Q-Phone 2027—a proposed mobile quantum processor with 7 transmon qubits operating at 15 ± 3 mK under real-world motion (a ≤ 10 m/s²). The design achieves:Coherence: T₁ = 205 ± 12 μs (static), T₁ > 150 μs at aᵣₘₛ = 8 m/s² [Chen2024].Cooling: 5.8 ± 0.4 nW at 15 mK via sorption-pumped micro-dilution refrigerator [Uhlig2023].Isolation: Active MEMS 6-DOF platform with Q̇ᵥᵢᵦ < 0.7 nW [Chen2024].Control: Cryo-CMOS AWG (0.38 ± 0.05 μW) with 8:127 microwave multiplexing [Bardin2023].Metrology: Motion-gated Ramsey interferometry with streaming MLE T₁ extraction (σ_{T₁} = 1.2 μs).All models are derived from first principles, validated via FEM/RTL simulations, and supported by 43 peer-reviewed references. The design suite includes Verilog firmware, Python dashboard, STEP CAD, and a KACST SBIR proposal (SAR 2.8M).
DOI: 10.5281/zenodo.17448845
title: Q-Phone 2027: A Theoretically Rigorous Conceptual Design for a Mobile 7-Qubit Transmon Quantum Processor with In-Situ $T_1$ Coherence Metrology under 6-DOF Motion

description: This work presents a conceptual, theoretically rigorous, and experimentally actionable design for the Q-Phone 2027—a proposed mobile quantum processor with 7 transmon qubits operating at 15 ± 3 mK under real-world motion (a ≤ 10 m/s²). The design achieves:Coherence: T₁ = 205 ± 12 μs (static), T₁ > 150 μs at aᵣₘₛ = 8 m/s² [Chen2024].Cooling: 5.8 ± 0.4 nW at 15 mK via sorption-pumped micro-dilution refrigerator [Uhlig2023].Isolation: Active MEMS 6-DOF platform with Q̇ᵥᵢᵦ < 0.7 nW [Chen2024].Control: Cryo-CMOS AWG (0.38 ± 0.05 μW) with 8:127 microwave multiplexing [Bardin2023].Metrology: Motion-gated Ramsey interferometry with streaming MLE T₁ extraction (σ_{T₁} = 1.2 μs).All models are derived from first principles, validated via FEM/RTL simulations, and supported by 43 peer-reviewed references. The design suite includes Verilog firmware, Python dashboard, STEP CAD, and a KACST SBIR proposal (SAR 2.8M).
DOI: 10.15468/dl.52vaty
title: Occurrence Download

description: A dataset containing 18 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Thrixopelma ockerti"
 ]
}

 The dataset includes 18 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000967-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17106018
title: Quantum-mechanical datasets for "Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction"

description: Here, you can access the quantum-mechanical datasets from TDCommons-LD50 and the MoleculeNet benchmarks that we used to validate the “QUantum Electronic Descriptor” (QUED) framework.

ABSTRACT

Machine learning (ML) approaches have drastically advanced the exploration of structure-property and property-property relationships in computer-aided drug discovery. A central challenge in this field is the identification of molecular descriptors that can effectively capture both geometric- and electronic structure-derived features, enabling the development of reliable and interpretable predictive models. While numerous descriptors focusing solely on structural characteristics have been recently proposed, improvements in model accuracy often come at the cost of increased computational demands, thereby restricting their practical applicability. To address this challenge, we introduce the “QUantum Electronic Descriptor” (QUED) framework, which integrates both structural and electronic data of molecules to develop ML regression models for property prediction. In doing so, a quantum-mechanical (QM) descriptor is derived from molecular and atomic properties computed using the semi-empirical density functional tight-binding (DFTB) method, which allows for efficient modelling of both small and large drug-like molecules. This descriptor is combined with inexpensive geometric descriptors--capturing two-body and three-body interatomic interactions--to form comprehensive molecular representations used to train Kernel Ridge Regression and XGBoost models. As a proof of concept, we validate QUED using the QM7-X dataset, which comprises equilibrium and non-equilibrium conformations of small drug-like molecules, demonstrating that incorporating electronic structure data notably enhances the accuracy of ML models for predicting physicochemical properties. For biological endpoints, we find that QM properties provide some predictive value for toxicity and lipophilicity prediction, as assessed using the TDCommons-LD50 and the MoleculeNet benchmark datasets. Moreover, a SHapley Additive exPlanations (SHAP) analysis of the toxicity and lipophilicity predictive models reveals that molecular orbital energies and DFTB energy components are among the most influential electronic features. Hence, our work underscores the importance of incorporating QM descriptors to enhance both the accuracy and interpretability of ML models for predicting multiple properties relevant to pharmaceutical and biological applications.

PREPRINT

https://chemrxiv.org/engage/chemrxiv/article-details/68c61dd73e708a7649eb1250

CODE and MODELS:

The main code, the trained regression models, and additional scripts used in this work are available at https://github.com/lmedranos/QUED.