cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.24416/uu01-x4yyl1
title: The data package for: "Probing the Reactivity of Mg2Butyl2 Complexes Using a Rigid and Dinucleating Naphthyridine-Based Ligand "

description: The files contain the spectroscopical and computational data within this publication

##Methodological information:

NMR-Spectroscopical data was collected on an Agilent MRF 400 equipped with a OneNMR probe and Optima Tune system, 400 MHz Jeol EZCL G system with an HFX probe or a Varian VNMR-S-400 equipped with an AutoX probe.
IR-Spectroscopical data was collected on a PerkinElmer SpectrumTwo Infrared Spectrophotometer equipped with an ATR-probe. 
Computational data was collected using the Gaussian 16 rev. C.02 software. All files are unprocessed and can be read into notepad or specific computational software (e.g. ChemCraft)

## Data specific information:
NMR files are .mnova files that can be opened using the MestreNova software. Files relating to the computations are .inp/.log/.out that can be opened using Notepad or any other text editing software and the calculated structures can be visualised using computational software such as ChemCraft, Avogadro or Gaussview

## Licenses or restrictions placed on the data:
All data is provided under a CC-BY-NC license
DOI: 10.24416/uu01-hc7v0w
title: Data supplement to: Influence of Solution Stoichiometry on the Thermodynamic Stability of Prenucleation FeS Clusters

description: The dataset contains geometric data for the specific structures of various FeS clusters with explicit water molecules present as .xyz files for “Influence of Solution Stoichiometry on the Thermodynamic Stability of Prenucleation FeS Clusters” by V. F. D. Peters, J. A. Koskamp, D. Di Tommaso, and M. Wolthers in Physical Chemistry Chemical Physics, 2025. These were obtained from geometry optimization in Gaussian16. For more with details on the calculations we refer to the paper. The .xyz files contain columns providing the x, y, and z coordinates for each atom and can be read by a text editor or directly by common molecular visualisation software. The names refer to the specific complex and the amount of explicit water molecules.

Contact: Mariette Wolthers - M.Wolthers@uu.nl
DOI: 10.57745/o4wa1f
title: PO2_v2.2.2.ttl

description: version 2.2.2
DOI: 10.57745/uvpdzx
title: PO2_V2.3.ttl

description: Version 2.3
DOI: 10.57745/y1ryda
title: PO2_V2.4.ttl

description: Version 2.4
DOI: 10.57745/rj0utu
title: PO2_V2.5.1.ttl

description: PO2 core ontologie version 2.5.1
DOI: 10.57745/zrrter
title: PO2_2.5.1.png

description: schema PO² Core version 2.5.1
DOI: 10.57745/ym0qna
title: PO2_V2.5.3.png

description: schema PO² Core version 2.5.3
DOI: 10.57745/bwlagq
title: PO2_V2.5.3.ttl

description: PO2 core ontologie version 2.5.3
DOI: 10.15454/xsvvbw
title: PO² Process and Observation Ontology

description: A core ontology for modeling transformation processes and their observations
DOI: 10.24416/uu01-3ijewu
title: The data package for: "Divergent Organomagnesium Reactivity of Rigid and Dinucleating Naphthyridine Ligands: Subtle Changes with Big Impact"

description: The files contain the spectroscopical and computational data within this publication

##Methodological information: 
NMR-Spectroscopical data was collected on an Agilent MRF 400 equipped with a OneNMR probe and Optima Tune system, 400 MHz Jeol EZCL G system with an HFX probe or a Varian VNMR-S-400 equipped with an AutoX probe. IR-Spectroscopical data was collected on a PerkinElmer SpectrumTwo Infrared Spectrophotometer equipped with an ATR-probe. Computational data was collected using the Gaussian 16 rev. C.02 software. All files are unprocessed and can be read into notepad or specific computational software (e.g. ChemCraft) 

## Data specific information: 
NMR files are .mnova files that can be opened using the MestreNova software. Files relating to the computations are .inp/.log/.out that can be opened using Notepad or any other text editing software and the calculated structures can be visualised using computational software such as ChemCraft, Avogadro or Gaussview 

## Licenses or restrictions placed on the data:
 All data is provided under a CC-BY-NC license
DOI: 10.24416/uu01-d7mwap
title: Model output for the paper "On the cause of enhanced landward motion of the overriding plate after a major subduction earthquake"

description: This repository contains the relevant data (part of numerical model output) used to plot the figures in the main body of the manuscript entitled "On the cause of enhanced landward motion of the overriding plate after a major subduction earthquake", by Mario D'Acquisto, Matthew Herman, Riccardo Riva, and Rob Govers, submitted for publication in Journal of Geophysical Research: Solid Earth.

Paper abstract: "Greater landward velocities were recorded after 6 megathrust earthquakes in subduction zone regions adjacent to the ruptured portion. Previous explanations invoked either increased slip deficit accumulation or plate bending during postseismic relaxation, with different implications for seismic hazard. We investigate whether bending can be expected to reproduce this observed enhanced landward motion (ELM). We use 3D quasi-dynamic finite element models with periodic earthquakes. We find that afterslip downdip of the brittle megathrust exclusively produces enhanced trenchward surface motion in the overriding plate. Viscous relaxation produces ELM when a depth limit is imposed on afterslip. This landward motion results primarily from in-plane elastic bending of the overriding plate due to trenchward viscous flow in the mantle wedge near the rupture. Modeled ELM is, however, incompatible with the observations, which are an order of magnitude greater and last longer after the earthquake. Varying mantle viscosity, plate elasticity, maximum afterslip depth, earthquake size, and megathrust locking outside of the rupture does not significantly change this conclusion. The observed ELM consequently appears to reflect faster slip deficit accumulation, implying a greater seismic hazard in lateral segments of the subduction zone."

The model consists of a three-dimensional (3D) finite element method (FEM) simulation of the megathrust earthquake cycle with two fully elastic plates and Maxwell viscoelastic mantle.

The software used to perform the simulations and extract the model output in the files stored here was GTECTON (Govers & Wortel, 1993, 2005; Govers et al., 2018), version 2021.0. The software used to generate the relevant figures in the paper from the data was Generic Mapping Tools (GMT) (Wessel et al., 2019) version 6.3.0.

Each directory corresponds to a different model. The meaning of each model name, as well as the meaning of the file name and the internal data format of the files, are specified in the readme file (readme.txt). All files are plain text files.

For more information regarding the goals, model features, and output, please refer to the paper.

Contact person: Mario D'Acquisto - m.dacquisto@uu.nl
DOI: 10.24416/uu01-qug5c3
title: Model output for the paper "Reconciling the conflicting extent of overriding plate deformation before and during megathrust earthquakes in South America, Sunda, and northeast Japan"

description: This repository contains the relevant data (part of numerical model output) used to plot the figures in the main body of the manuscript mentioned in the title, authored by Mario D’Acquisto, Taco Broerse, Celine P. Marsman, and Rob Govers, submitted for publication in Geophysical Journal International.

Paper abstract: "We aim to better understand the overriding plate deformation during the megathrust earthquake cycle. We estimate the spatial patterns of interseismic GNSS velocities in South America, Southeast Asia, and northern Japan and the associated uncertainties due to data gaps and velocity uncertainties. The interseismic velocities with respect to the overriding plate generally decrease with distance from the trench with a steep gradient up to a “hurdle”, beyond which the gradient is distinctly lower and velocities are small. The hurdle is located 500–1000 km away from the trench, for the trench-perpendicular velocity component, and either at the same distance or closer for the trench-parallel component. Significant coseismic displacements were observed beyond these hurdles during the 2010 Maule, 2004 Sumatra-Andaman, and 2011 Tohoku earthquakes. We hypothesize that both the interseismic hurdle and the coseismic response result from a mechanical contrast in the overriding plate. We test our hypothesis using physically consistent, generic, three-dimensional finite element models of the earthquake cycle. Our models show a response similar to the interseismic and coseismic observations for a compliant near-trench overriding plate and an at least 5 times stiffer overriding plate beyond the contrast. The model results suggest that hurdles are more prominently expressed in observations near strongly locked megathrusts. Previous studies inferred major tectonic or geological boundaries and seismological contrasts located close to the observed hurdles in the studied overriding plates. The compliance contrast probably results from thermal, compositional and thickness contrasts and might cause the observed focusing of smaller-scale deformation like backthrusting."

The software used to perform the simulations, extract the model output in the files stored here, and perform additional processing for the plotting of figures was GTECTON (Govers & Wortel, 1993, 2005; Govers et al., 2018), version 2021.0. The software used to plot the relevant figures in the paper from the data was Generic Mapping Tools (GMT) (Wessel et al., 2019) version 6.3.0.

Please refer to readme.txt and the paper for more information about the content of the repsitory and the methods and results of the modeling, respectively.

Contact person: Mario D'Acquisto - m.dacquisto@uu.nl
DOI: 10.24416/uu01-6sc8xg
title: Model output for the paper "Reconciling the conflicting extent of overriding plate deformation before and during megathrust earthquakes in South America, Sunda, and northeast Japan"

description: This repository contains the relevant data (part of numerical model output) used to plot the figures in the main body of the manuscript mentioned in the title, authored by Mario D’Acquisto, Taco Broerse, Celine P. Marsman, and Rob Govers, submitted for publication in Geophysical Journal International.

Paper abstract: "We aim to better understand the overriding plate deformation during the megathrust earthquake cycle. We estimate the spatial patterns of interseismic GNSS velocities in South America, Southeast Asia, and northern Japan and the associated uncertainties due to data gaps and velocity uncertainties. The interseismic velocities with respect to the overriding plate generally decrease with distance from the trench with a steep gradient up to a “hurdle”, beyond which the gradient is distinctly lower and velocities are small. The hurdle is located 500–1000 km away from the trench, for the trench-perpendicular velocity component, and either at the same distance or closer for the trench-parallel component. Significant coseismic displacements were observed beyond these hurdles during the 2010 Maule, 2004 Sumatra-Andaman, and 2011 Tohoku earthquakes. We hypothesize that both the interseismic hurdle and the coseismic response result from a mechanical contrast in the overriding plate. We test our hypothesis using physically consistent, generic, three-dimensional finite element models of the earthquake cycle. Our models show a response similar to the interseismic and coseismic observations for a compliant near-trench overriding plate and an at least 5 times stiffer overriding plate beyond the contrast. The model results suggest that hurdles are more prominently expressed in observations near strongly locked megathrusts. Previous studies inferred major tectonic or geological boundaries and seismological contrasts located close to the observed hurdles in the studied overriding plates. The compliance contrast probably results from thermal, compositional and thickness contrasts and might cause the observed focusing of smaller-scale deformation like backthrusting."

The software used to perform the simulations, extract the model output in the files stored here, and perform additional processing for the plotting of figures was GTECTON (Govers & Wortel, 1993, 2005; Govers et al., 2018), version 2021.0. The software used to plot the relevant figures in the paper from the data was Generic Mapping Tools (GMT) (Wessel et al., 2019) version 6.3.0.

Please refer to readme.txt and the paper for more information about the content of the repsitory and the methods and results of the modeling, respectively.

Contact person: Mario D'Acquisto - m.dacquisto@uu.nl
DOI: 10.24416/uu01-te4cg5
title: Supporting Information for: Naphthyridines: An Odyssey Through the Periodic Table

description: The supporting information associated with the chapters within this thesis.
DOI: 10.24416/uu01-ss41uk
title: Model output for the paper "Offshore landward motion shortly after a subduction earthquake implies rapid relocking of the shallow megathrust"

description: This repository contains the relevant data (part of numerical model output) used to plot the figures in the main body of the manuscript entitled "Offshore landward motion shortly after a subduction earthquake implies rapid relocking of the shallow megathrust", by Mario D'Acquisto and Rob Govers.

Paper abstract: "Geodetic observations after large subduction earthquakes reflect multiple postseismic processes, including megathrust relocking. What the timing of relocking is, and how well observations constrain it, is unclear. It has been inferred to explain some observed landward motion that occurs within months. It has also been considered unable to explain other, greater landward motion, including off the coast of Japan beginning weeks after the 2011 Tohoku earthquake, which is attributed to postseismic relaxation. We use generic, 3D numerical models to show that relocking, particularly of the shallow interface, is needed for postseismic relaxation to produce landward motion on the tip of the overriding plate. We argue that this finding is consistent with previous simulations that implicitly relock the megathrust where afterslip is not included, that the Tohoku megathrust thus relocked within less than two months of the earthquake, and that the shallow megathrust probably behaves as a true, unstably sliding asperity."

The model consists of a three-dimensional (3D) finite element method (FEM) simulation of the megathrust earthquake cycle with two fully elastic plates and Maxwell viscoelastic mantle.

The software used to perform the simulations and extract the model output in the files stored here was GTECTON (Govers & Wortel, 1993, 2005; Govers et al., 2018), version 2021.0. The software used to generate the relevant figures in the paper from the data was Generic Mapping Tools (GMT) (Wessel et al., 2019) version 6.4.0.

Each directory corresponds to a different model. The meaning of each model name, as well as the meaning of the file name and the internal data format of the files, are specified in the readme file (readme.txt). All files are plain text files.

For more information regarding the goals, model features, and output, please refer to the paper.

Contact person: Mario D'Acquisto - m.dacquisto@uu.nl
DOI: 10.24416/uu01-yato7q
title: Data purchasing by governments in the context of societal challenges: A mapping study

description: To tackle complex societal challenges, governments need to make evidence-based decisions and need the best available data as input. Much of the relevant data (e.g. user location data) is now in the hands of the private sector, which means governments increasingly resort to purchasing data from the private sector. This poses several challenges, such as data quality and lack of control, especially for local authorities with limited IT and procurement capabilities. This project develops a unique dataset of data purchasing ‘cases’ that can be used to map the state of play as regards data purchasing.
DOI: 10.15468/dl.93uxjk
title: Occurrence Download

description: A dataset containing 22 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Bretziella fagacearum"
 ]
}

 The dataset includes 22 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005401-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.24416/uu01-4k2szl
title: The data package for: "Pendulum-like Hemilability in a Ti-based Doubly Frustrated Lewis Trio"

description: This data set contains the data package belonging to the abovementioned research article.
DOI: 10.24416/uu01-y0rh2e
title: Data supplement to: How bed composition affects erosion by debris flows - an experimental assessment

description: In this data package, data is stored from experiments in the debris flow flume in the Earth Simulation Lab (Utrecht University).  The experiments simulate the erosion of unconsolidated loosely packed beds of different compositions by debris flows. The data presented here are Digital Elevation Models (DEMs) of the experiments (raw point cloud data and processed DEMs), and timeseries of different sensors in the flume (laser distance sensors, pore pressure sensors, a geophone and a load cell). 

The data is provided in 2 subfolders for 89 experiments. Detailed information about the files in these subfolders as well as information on how the data is processed is given in the explanatory file ReadMe_Yoda_DEBRISFLOWBEDCOMPOSITION.txt. Contact person is Lonneke Roelofs - PhD Candidate - l.roelofs@uu.nl
DOI: 10.24416/uu01-q4au5q
title: The data package for: "Pendulum-like Hemilability in a Ti-based Doubly Frustrated Lewis Trio"

description: This data set contains the data package belonging to the abovementioned research article.
DOI: 10.24416/uu01-84qo0o
title: A computationally efficient method to model Stratospheric Aerosol Injection experiments

description: This dataset contains the necessary code and data for reproducing the results of the accompanying paper. In this work, we implement a method for prescribing stratospheric aerosol fields in geoengineering simulations with CESM2-CAM and CESM1-CAM based on pre-existing WACCM geoengineering simulations. Specifically, this dataset contains the CESM model code and settings (full case directories if available), feedback controller code, pre- and postprocessing scripts, restart files, generated stratospheric forcing files, the pre-existing WACCM data for CESM1 and relevant model output.
DOI: 10.24416/uu01-nyy5h3
title: Data Impacts of Plant Roots on Debris-Flow Bed Erosion in Laboratory Experiments

description: Experimental data, including pre- and post-flow DEMs, flow measurements, and the root trait measurements that were collected during laboratory experiments for the research on the impacts of plant roots on debris-flow bed erosion.
DOI: 10.24416/uu01-7wfe5c
title: Data supplement to "How debris-flow composition affects bed erosion quantity and mechanisms - an  experimental assessment"

description: Data was generated for 98 debris flow erosion experiments in a 5.4 m long flume with an erodible loosely packed sediment bed. In the 98 experiments the bed conditions were kept constant, but the composition of the debris flow changed. Volume, water content, gravel content and clay content were varied. The paper contains all information on procedures, settings, sensors and data analyses. The data in this supplement contains the DEMs of the erodible bed, the data of the sensors in the flume and an overview of all experiments.
DOI: 10.5285/8d60d83b-d880-4042-b344-42d0551e65be
title: Fledging weights of Gentoo penguin chicks from a colony at Johnson Cove, Bird Island, from 1989 to 2020 - VERSION 1.0

description: The weights of fledging Gentoo penguin chicks at Bird Island have been monitored since 1989. The colony at Johnson Cove can have over 1000 breeding pairs. Each year, just before their departure from the colony, a sample of 100 fledgling birds are weighed as part of the Bird Island long-term monitoring programme. This data is submitted to the Commission for the Conservation of Antarctic Marine Living Resources (CCAMLR) as part of their Ecosystem Monitoring Programme (CEMP).

**** PLEASE BE ADVISED TO USE VERSION 2.0 DATA *****

The VERSION 2.0 data set (see 'Related Data Set Metadata' link below) has been extended with five additional years of data. No changes have been made to the data included in VERSION 1.0.

This work was funded by Natural Environment Research Council (UK) core funding to the British Antarctic Survey.
description: One hundred days after peak laying (this is defined as the date when 75% of monitored nests have eggs laid), 100 gentoo penguin chicks are caught and weighed at the Johnson Cove colony. To ensure each chick is weighed only once, chicks are temporarily marked after weighing. To aid capture, chicks are rounded up into an area by the rocks at once side of the colony. Firkling hooks are also used which causes slightly less disturbance. The birds are weighed using a 10kg pesola and bag.

All data were collected under permit from the Government of South Georgia and the South Sandwich Islands.

All sampling procedures used were regulated by the British Antarctic Survey Ethical Review Committee in collaboration with Cambridge University and the UK Home Office.
DOI: 10.24416/uu01-5je2gc
title: Assessing future rainwater lens viability  in coastal agricultural regions under climate change

description: This datafolder contains the model-input and -output that is described in the Journal of Hydrology paper: Assessing future rainwater lens viability  in coastal agricultural regions under climate change. Authors: Ilja America-van den Heuvel,1, 2*, Joost R. Delsman,2, Perry G.B. de Louw,2,3, Niko Wanders,1,  Gualbert H.P. Oude Essink,1,2.
1.	Department of Physical Geography, Utrecht University, The Netherlands, PO Box 80125, 3508 TC Utrecht, The Netherlands 
2.	Unit Subsurface and Groundwater Systems, Deltares, Utrecht, The Netherlands, P.O. Box 85467, 3508 AL, Utrecht, The Netherlands. 
3.	Soil Physics and Land Management Group, Wageningen University, the Netherlands, P.O. Box 47, 6700 AA Wageningen, The Netherlands 
*Corresponding author: Department of Physical Geography, Utrecht University, The Netherlands, PO Box 80125, 3508 TC, Utrecht, The Netherlands. 
Email address: Ilja.America-vandenHeuvel@deltares.nl, Phone Number: +31 6 15320227

The data consist of 1 calibration run, and 45 sensitivity runs where future climate change scenarios have been generated for time horizon 2100. 

We refer to the README.txt for more information.
DOI: 10.5281/zenodo.18595301
title: Disaggregation of Land Surface Temperature from geostationary scale to Landsat scale through two distinct approaches -Dataset

description: This dataset was prepared in support of a manuscript currently under review at the Journal of Geophysical Research (JGR). The record may be updated upon publication.
DOI: 10.5281/zenodo.18595302
title: Disaggregation of Land Surface Temperature from geostationary scale to Landsat scale through two distinct approaches -Dataset

description: This dataset was prepared in support of a manuscript currently under review at the Journal of Geophysical Research (JGR). The record may be updated upon publication.
DOI: 10.24416/uu01-oyphdl
title: DemoTrans public procurement survey

description: The survey data in this set has been collected from December 2023 to April 2024 as part of the Horizon Europe DemoTrans project. The survey included questions on tender preparations (e.g., market engagement methods, national security assessments), design (e.g., specification types), and outcomes (e.g., innovation, sustainability). The data was supplemented with a dataset of Contract Award Notices from 2022 of Tender Electronics Daily. 
This dataset is available upon request as it allows the researchers to work on the objectives of the DemoTrans project while having extensive control of the use of the data, ensuring that its use is in line with the project's goals.