cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.24416/uu01-8gb6yl
title: Catalytic Pyrolysis of Polyethylene with Microporous and Mesoporous Materials: Assessing Performance and Mechanistic Study

description: This data package underlies the results published in 'Catalytic Pyrolysis of Polyethylene with Microporous and Mesoporous Materials: Assessing Performance and Mechanistic Study' by Johan H. van de Minkelis. The experimental section in the supporting information gives an detailed explanation how all data is generated. The data is sorted by analysis method and in each subfolder a python script is placed that can be used to plot the data. In each method folder an excel file is included with related information on the datafiles and to which figure the data is connected to.
DOI: 10.24416/uu01-wsymaf
title: Soil, vegetation and soil biota data of a fen peat mesocosm experiment

description: This folder contains data files on soil biota data and soil and vegetation data of a mesocosm experiment in which 40 peat cores were exposed to various groundwater and nutrient application levels. This data was used for the publication "Soil biota response to raised water levels and reduced nutrient inputs in agricultural peat meadows" and the authors therefore refer to the publication for more detailed information
DOI: 10.24416/uu01-3xbmmo
title: Catalytic Pyrolysis of Polyethylene with Microporous and Mesoporous Materials: Assessing Performance and Mechanistic Study

description: This data package underlies the results published in 'Catalytic Pyrolysis of Polyethylene with Microporous and Mesoporous Materials: Assessing Performance and Mechanistic Study' by Johan H. van de Minkelis. The experimental section in the supporting information gives an detailed explanation how all data is generated. The data is sorted by analysis method and in each subfolder a python script is placed that can be used to plot the data. In each method folder an excel file is included with related information on the datafiles and to which figure the data is connected to.
DOI: 10.24416/uu01-41qfc6
title: Data from: Restoring organic matter, carbon and nutrient accumulation in degraded peatlands: 10 years Sphagnum paludiculture

description: This datafile is part of a study that shows how the implementation of a new and sustainable land use on rewetted peatlands with production of biomass (Sphagnum paludiculture) aids organic matter, carbon and nutrient accumulation. The measurements were conducted on a Sphagnum paludiculture site in Germany from March 2014 until June 2021. The site was installed in 2011 and expanded in 2016 (see methods below for more details). 

This file includes (see codebook below for details) data obtained with a field measurements on a Sphagnum paludiculture (Germany, datafile ‘Temmink et al. time series’ and ‘Temmink et al. biomass’). The datafiles contain data related to pore and surface water nutrient concentrations over time, organic matter accumulation and nutrient content of the organic matter after 5 or 10 years. Not all data presented in the data files were used in the manuscript, but are provided as additional information to interested researchers. Contact person: Ralph Temmink - r.j.m.temmink@uu.nl
DOI: 10.24416/uu01-d8gce4
title: Critical Parameters and Mechanism for Hydrothermal Polyethylene Conversion

description: This data package underlies the results published in 'Critical Parameters and Mechanism for Hydrothermal Polyethylene Conversion' by Johan H. van de Minkelis. The experimental section in the supporting information gives an detailed explanation how all data is generated. The data is sorted by analysis method and in each subfolder a python script is placed that can be used to analyse the data.
DOI: 10.24416/uu01-ull0to
title: Compilation of boreal charcoal records

description: This data package contains charcoal influx data compiled from 229 Holocene charcoal time series from across the boreal biome. It represents an intermitted result from the Horizon Europe project "Past to Future: Towards fully paleo-informed future climate predictions" (P2F). Charcoal data included in this data package were derived from data in the Global Paleofire Database (https://www.paleofire.org/home), the Reading Paleofire Database (https://doi.org/10.17864/1947.000345), and private collections. Access is restricted to consortium members and contributors of the P2F project until publication of the related research. Of the 229 datasets used to derive charcoal influx 179 are publicly available from the above databases. The remaining 50 datasets derived from private data collections will be made publicly available according to FAIR principles via the Neotoma Paleoecology Database (https://www.neotomadb.org/). For more information or to request access, please contact data package creator Ramesh Glückler (r.m.s.gluckler@uu.nl) or work package lead Thomas Giesecke (t.giesecke@uu.nl).
DOI: 10.5281/zenodo.18429620
title: A novel approach for discriminating bisphosphonate-based pharmaceuticals using a potentiometric array

description: Dataset:
DOI: 10.24416/uu01-xjobc1
title: Data supplement to "The photochemical evolution of meteoritic polycyclic aromatic hydrocarbons and nontronite clay on early Earth and Mars"

description: The photochemical evolution of PAHs delivered to a planetary surface environment by meteoritic sources is of great interest to early Earth origin-of-life studies, Mars origin-of-life speculations, as well as current organic molecule detection efforts on Mars. Of prebiotic interest to both Earth and Mars are clay-rich environments, and the evolution of organic carbon molecules within them. In this work we experimentally tested the effect of UV irradiation on different PAHs adsorbed to nontronite clay using the spike technique.  Experiments were performed at the INAF Observatory of Arcetri and in the PALLAS chamber at Utrecht University and were monitored with in-situ diffuse reflectance infrared spectrometry (DRIFTS) measurements. PAHs and any degradation products were extracted post-irradiation. Analyses were performed with in situ Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy and Nuclear Magnetic Resonance (NMR). 

The data is provided in 6 subfolders. Detailed information about the files in these subfolders as well as information on how the data is processed is given in the explanatory file PAHs_Data_description.pdf. Contact person is Nina Kopacz - researcher - k.a.kopacz@uu.nl or Inge Loes ten Kate - Project Leader - i.l.tenkate@uu.nl
DOI: 10.5281/zenodo.18429619
title: A novel approach for discriminating bisphosphonate-based pharmaceuticals using a potentiometric array

description: Dataset:
DOI: 10.24416/uu01-90syai
title: Unravelling Potential Reaction Intermediates during Catalytic Pyrolysis of Polypropylene with Microscopy and Spectroscopy

description: While plastics-to-plastics recycling via melting and re-extrusion is often the preferred option due to a relatively low CO2 footprint, this technique requires a highly sorted waste stream and plastic properties can often not be maintained. Obtaining aromatics, such as benzene, toluene, and xylene (BTX), via catalytic pyrolysis of polyolefins, such as polypropylene and polyethylene, offers another attractive recycling technology. In this process, a discarded crude oil refinery catalyst (ECAT) was previously shown to lower the unwanted formation of deactivating coke species compared to a fresh crude oil refinery catalyst (FCC-cat), while yielding 20 wt.% aromatics from polypropylene. In this work, we study the underlying reaction mechanism for this chemical recycling process over the fresh and used refinery catalyst as well as a model system, not containing any zeolite material, using a combination of microscopy and spectroscopy. More specifically, by using in-situ fluorescence microscopy, in-situ infrared spectroscopy, in-situ ultraviolet-visible spectroscopy as well as ex-situ solid-state nuclear magnetic resonance, we observe highly fluorescent methylated aromatic intermediates that differ for the three catalyst materials under study both in their fluorescence, IR, UV-Vis, and NMR features. This detailed micro-spectroscopic comparison informs which potential reaction intermediates lead to increased coke formation. Our results suggests that a next generation of catalyst materials for this process would profit from a higher accessibility and a milder acidity compared to an FCC-cat and shows the great potential of using ECAT to reduce coking and obtain a BTX stream, which could be become the chemical building blocks for the manufacturing of e.g., plastics and coatings.
DOI: 10.24416/uu01-4j959u
title: Modelling and mechanistic study of polyethylene chain cleavage during ball milling

description: This is the data package of the manuscript "Modelling and mechanistic study of polyethylene chain cleavage during ball milling". Additional information about the dataset can be found in the README.md file in the main folder.
DOI: 10.24416/uu01-ym7a5h
title: HYPFLOWSCI6: HYdrological Projection of Future gLObal Water States with CMIP6

description: The datapackage HYPFLOWSCI6 (HYdrological Projection of Future gLObal Water States with CMIP6) contains a simulation dataset of global hydrology and water resource conditions covering the historical/past years from 1960 to the future projected period until 2100. The dataset has 5 arc-minute spatial resolution (about 10 km at the equator) and monthly temporal resolution. This comprehensive dataset was generated by running the hydrological model of PCR-GLOBWB (https://github.com/UU-Hydro/PCR-GLOBWB_model) at daily resolution. The climate forcing data used were taken from the ISIMIP3 protocol (https://protocol.isimip.org/) that consists of five bias-corrected GCMs of CMIP6 (1960-2100) and the reference forcing data of GSWP3-W5E5 (1960-2019). The GCM runs encompass the historical simulation (1960-2014) and three SSP-RCP combinations (2015-2100), i.e. SSP1-RCP2.6, SSP3-RCP7.0 and SSP5-RCP8.5, representing diverse future socio-economic scenarios and associated greenhouse gas emission trajectories.
For more details, see:
Edwin H. Sutanudjaja, Rens van Beek, Samantha Kuzma, Tianyi Luo, Elizabeth Saccoccia, Marc F. P. Bierkens, Hydrological projection of future global water states with CMIP6,\nin preparation, to be submitted to Nature Scientific Data.
DOI: 10.24416/uu01-qj9iis
title: Data package from [Highly Dispersed ZnO Sites in a ZnO/ZrO2 Catalyst Promote the CO2-to-Methanol Reaction]

description: We have synthesized ZnO/ZrO2 catalyst materials supported on tetragonal ZrO2 (ZnO/ZrO2-t) and monoclinic ZrO2 (ZnO/ZrO2-m), which resulted in the formation of different ZnOx species, consisting of sub-nanometer ZnO moieties and large-sized ZnO particles, respectively. ZnO/ZrO2-t exhibited higher methanol selectivity (81 %) and methanol yield (1.25 mmol/g/h) compared with ZnO/ZrO2-m (39 % and 0.67 mmol/g/h). The difference in performance was attributed to the redox state and degree of dispersion of Zn, based on spectroscopy and microscopy results. Operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and in situ near ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) showed that ZnO/ZrO2-t had a high density of ZnO-ZrO sites, which favored the formation of active HCOO* species and enhanced the yield and selectivity of methanol along the formate pathway. Operando UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS) together and high-angle angular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with energy dispersive X-ray (EDX) analysis revealed that on ZnO/ZrO2-t, ZnO clusters were further dispersed during catalysis at 320 °C, while larger ZnO particles on ZnO/ZrO2-m remained stable throughout the reaction.
The folders are based on the characterization methods and catalytic performance in the text, and subfolders contain corresponding data for different samples. Characterization methods include XRD，TEM，Raman，UV-vis，DRIFTS，NAP-XPS and operando UV-vis .
DOI: 10.24416/uu01-wcfvpa
title: Protonation-Induced Electron Density Redistribution Facilitates Aggregation in PNNP Dicopper Hydride Complexes

description: This data package belongs to the research article mentioned above. A pre-print of this manuscript has been published on ChemRxiv (10.26434/chemrxiv-2025-zsnkg). The ReadMe.txt file contains the relevant methodological information for the data within this datapackage.
DOI: 10.24416/uu01-9wek9n
title: Harnessing Generative AI and 4D X-Ray Imaging to Quantify Transient Porosity in Mineral Replacement Reactions

description: We use time-resolved microtomography images from KBr-KCl experiments to train a generative model that captures the evolution of reaction-induced porosity during the replacement process. Our primary goal is to develop semantic image editing techniques that enable realistic modifications to the connectivity of pore spaces. We trained the advanced generative model, StyleGAN2-ADA, on a dataset of experimental images showing both connected and disconnected pore networks, as well as transitional phases. By comparing the structural and morphological evolution of pore spaces, characterised by statistical microstructure descriptors (SMDs), we demonstrated that our model can connect isolated pores in a manner consistent with experimental observations. Additionally, we explored transferring the knowledge learned by our generative model, particularly its latent space, to images of a natural sample undergoing feldspar replacement—a process currently infeasible to replicate experimentally due to technical limitations. Our findings indicate that our editing model, Pore-edit GAN, can realistically reconnect isolated pores in the natural sample, yielding permeability estimates aligned with values reported by independent methods. The data supporting this research are organised into 11 folders, each containing analytical data and figures featured in this manuscript, which is yet to be submitted.
DOI: 10.24416/uu01-7pl9km
title: Chloride, Alkoxide or Silicon: The Bridging Ligand Dictates the Spin-state in Dicobalt Expanded Pincer Complexes

description: The datapackage with the NMR, IR and DFT data for the manuscript: "Chloride, Alkoxide or Silicon: The Bridging Ligand Dictates the Spin-state in Dicobalt Expanded Pincer Complexes". An explanation of the content, file types, and software required to view the files can be found in the ReadMe.txt file.
DOI: 10.24416/uu01-e4prqx
title: Model output for the paper "Unravelling Processes and Rheology of the Tohoku Earthquake Cycle Using Bayesian Inference"

description: This dataset contains the input and output files of the 2D model data assimilation experiments for interseismic and postseismic deformation associated with the 2011 Tohoku-Oki earthquake. All methods, results, bibliography/citations, and figures are described in detail in the publication: Marsman et al., (2024): Unravelling Processes and Rheology of the Tohoku Earthquake Cycle Using Bayesian Inference, Journal of Geophysical Research: Solid Earth (DOI: TBD).
DOI: 10.24416/uu01-4jicgz
title: Understanding the Remarkable Stability of Well-defined Dinuclear Copper(I) Carbene Complexes

description: This data set contains the data package belonging to the research article mentioned above. A pre-print of this manuscript has been published on ChemRxiv (https://doi.org/10.26434/chemrxiv-2024-gz9hl). The ReadMe.txt file contains the relevant methodological information for the data within this datapackage.
DOI: 10.24416/uu01-gp8pm9
title: Mechanistic Investigation Into Copper(I) Hydride Catalyzed Formic Acid Dehydrogenation

description: This datapackage contains the data supporting the work in: "Mechanistic Investigation Into Copper(I) Hydride Catalyzed Formic Acid Dehydrogenation". A pre-print of this manuscript has been published on ChemRxiv (https://doi.org/10.26434/chemrxiv-2024-cg4fk).

- The NMR data of complexes 2 and 2-Ac
- The GC hydrogen evolution data for FA dehydrogenation (Rate law determination experiments and KIE experiments)
DOI: 10.24416/uu01-k3b1ib
title: Supporting data set for manuscript "Remediation of annular gas migration along cemented wellbores using reactive mineral fluids: experimental assessment of sodium bicarbonate and sodium silicate-based solutions"

description: Brief description of the Data: This folder contains data for a study on reactive sealing of microannuli along wellbore casing-cement interfaces. The data set consists of four Microsoft Excel Worksheets, containing volume, flow rate, and pressure data with time for reference and reactive flow measurements on two samples, denoted BC-1 and SIL-1 in the aforementioned study. This document provides basic descriptions of the samples, experimental procedures and data processing. For more detailed information, the reader is referred to the methods section of the main manuscript.

Summary of the Study: Achieving zonal isolation along wellbores is essential for upholding the containment integrity of subsurface reservoirs and preventing fluid seepage to the environment. The sealing integrity of the Portland cements conventionally used to create hydraulic barriers can be severely compromised by the presence of defects, such as fractures or micro-annuli along casing-cement and cement-rock interfaces. A possible remediation method would be to circulate reactive fluids through the compromised cement sections and induce defect clogging via mineral precipitation. Here, we assess the sealing potential of two prospective fluids, namely sodium bicarbonate and sodium silicate-based solutions. Reactive flow-through permeametry experiments were performed on 6 m-long cemented steel tubes, bearing debonding micro-annuli of ~20 μm wide. The experiments were conducted at 50 °C and fluid pressures of up to 6 MPa. For sodium bicarbonate solution (90 g/kg-H2O concentration), reactive flow yielded only a minor reduction in the equivalent permeability of the wellbore sample, with values remaining within one order. Injection of sodium silicate solution (37.1 wt.% concentration, SiO2:Na2O molar ratio M= 2.57) resulted in a large decrease in flow rate, effectively reaching the lower measurement limit of the experimental setup within hours. However, this strong sealing effect can almost certainly be attributed to gelation of the fluid through polymerisation, rather than defect clogging via mineral precipitation. For both fluids investigated, the extent of solids precipitation resulting from single-phase injection was less than anticipated. This shortfall is attributed to ineffective/insufficient liberation of Ca-ions from the alkaline phases in the cement.
DOI: 10.15468/dl.p79vq9
title: Occurrence Download

description: A dataset containing 5 records in GBIF matching the query:
SELECT
 gbifid
FROM
 occurrence
WHERE
 occurrence.programmeacronym = 'BIFA'
LIMIT 5

 The dataset's 5 records were derived from 144 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005428-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.24416/uu01-18v6a3
title: Global yearly sectoral water withdrawal and allocation under climate and socio-economic change datasets (QUAlloc, water use and allocation model) at 10 km spatial resolution

description: Simulated data of water withdrawals and water allocation per water source for the main water use sectors (i.e., domestic, irrigation, livestock, manufacturing and thermoelectric), modelled using the sectoral water use and allocation model, QUAlloc v1.1, using the five biased-corrected General Circulation Model (gfdl-esm4, ipsl-cm6a-lr, mpi-esm1-2-hr, mri-esm2-0 and ukesm1-0-ll) outputs under the Global Change Scenario SSP3-RCP7.0, and their ensemble mean.
DOI: 10.24416/uu01-80rew7
title: Mechanistic Investigation Into Copper(I) Hydride Catalyzed Formic Acid Dehydrogenation

description: This datapackage contains the data supporting the work in: "Mechanistic Investigation Into Copper(I) Hydride Catalyzed Formic Acid Dehydrogenation"

- The NMR data of complexes 2 and 2-Ac
- The GC hydrogen evolution data for FA dehydrogenation (Rate law determination experiments and KIE experiments)
- Output files from the DFT calculations in the manuscript
DOI: 10.24416/uu01-rzgotq
title: Mechanistic Investigation Into Copper(I) Hydride Catalyzed Formic Acid Dehydrogenation

description: This datapackage contains the data supporting the work in: "Mechanistic Investigation Into Copper(I) Hydride Catalyzed Formic Acid Dehydrogenation"

- The NMR data of complexes 2 and 2-Ac
- The GC hydrogen evolution data for FA dehydrogenation (Rate law determination experiments and KIE experiments)
- Output files from the DFT calculations in the manuscript
DOI: 10.15468/dl.be75h4
title: Occurrence Download

description: A dataset containing 26774 records in GBIF matching the query:

 SELECT gbifid, datasetkey, specieskey, kingdom, phylum, class, "order", family, genus, species, scientificname, decimallatitude, decimallongitude, eventdate, institutioncode, "year" AS obs_year, basisofrecord, coordinateuncertaintyinmeters, issue
 FROM occurrence
 WHERE
 decimallatitude IS NOT NULL
 AND decimallongitude IS NOT NULL
 AND NOT ARRAY_CONTAINS(issue, 'ZERO_COORDINATE')
 AND NOT ARRAY_CONTAINS(issue, 'COORDINATE_OUT_OF_RANGE')
 AND NOT ARRAY_CONTAINS(issue, 'COORDINATE_INVALID')
 AND NOT ARRAY_CONTAINS(issue, 'COUNTRY_COORDINATE_MISMATCH')
 AND "year" &gt;= 2015
 AND "year" &lt;= 2026
 AND coordinateuncertaintyinmeters IS NOT NULL
 AND coordinateuncertaintyinmeters &gt; 0
 AND coordinateuncertaintyinmeters &lt;= 200.0
 AND decimallatitude &gt;= 61.2993700571118
 AND decimallatitude &lt;= 66.79314043790278
 AND decimallongitude &gt;= -143.68062767411325
 AND decimallongitude &lt;= -118.65636510707594
 AND GBIF_Within('POLYGON ((-118.656365 61.299370, -118.656365 66.793140, -143.680628 66.793140, -143.680628 61.299370, -118.656365 61.299370))', decimallatitude, decimallongitude) = TRUE
 

 The dataset's 26774 records were derived from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005405-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.82209/ct3k-8771
title: The legacy effect of Cover Crops on soil structure amelioration: Mean weight diameter (MWD) of soil aggregates increases with soil depth and is significantly higher in the cover crop (CC) treatments than in the fallow treatment.
DOI: 10.24416/uu01-dd1bpl
title: Metal-Metal Cooperativity in Well-defined Dinuclear Complexes; Understanding the Reactivity of Dicopper and Dicobalt Complexes Using the PNNP Expanded Pincer Ligand

description: This datapackage contains one PDF file containing the supporting information for the experimental chapters of the PhD thesis: "Metal-Metal Cooperativity in Well-defined Dinuclear Complexes; Understanding the Reactivity of Dicopper and Dicobalt Complexes Using the PNNP Expanded Pincer Ligand"

Author: Roel L. M. Bienenmann
Co-promotor: Daniël L. J. Broere
Promotor: Robertus J. M. Klein Gebbink

For each experimental chapter there is a seperate folder containing the files which contain the spectroscopic and computational data corresponding to these chapters. Some of these overlap with the datapackages from the papers on which the chapters are based. These datapackages of publications are mentioned below in the meta-data.