cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.28246789.v1
title: Acquiring and transferring comprehensive catalyst knowledge through integrated high-throughput experimentation and automatic feature engineering

description: Solid catalyst development has traditionally relied on trial-and-error approaches, limiting the broader application of valuable insights across different catalyst families. To overcome this fragmentation, we introduce a framework that integrates high-throughput experimentation (HTE) and automatic feature engineering (AFE) with active learning to acquire comprehensive catalyst knowledge. The framework is demonstrated for oxidative coupling of methane (OCM), where active learning is continued until the machine learning model achieves robustness for each of the BaO-, CaO-, La<sub>2</sub>O<sub>3</sub>-, TiO<sub>2</sub>-, and ZrO<sub>2</sub>-supported catalysts, with 333 catalysts newly tested. The resulting models are utilized to extract catalyst design rules, revealing key synergistic combinations in high-performing catalysts. Moreover, we propose a method for transferring knowledge between supports, showing that features refined on one support can improve predictions on others. This framework advances the understanding of catalyst design and promotes reliable machine learning. Integrating high-throughput experimentation and automatic feature engineering in a loop enables the development of robust machine learning models, leading to comprehensive and transferable catalyst knowledge.
DOI: 10.6084/m9.figshare.29168112
title: Design of open systems for meniscus splitting demonstrated using an aqueous polymer solution

description: Open systems on the surfaces of soft materials induce dissipative structures such as evaporative self-organization. Based on the viscous fingering phenomena, we demonstrate a meniscus splitting phenomena by evaporating an aqueous solution of versatile polyvinyl alcohol (PVA) solution from a Hele–Shaw cell. To understand it as a universal phenomenon independent of the polymer species, the distinct evolutionary pathways to pattern formation were evaluated, focusing on the interface deformation and directional deposition of the polymer. The PVA solution, which showed a steep concentration-dependent viscosity gradient under a local moderate humidity gradient, was capable of bridging the cell gap for vertical membrane formation. The interfacial shape transformation from one downward concave to multiple upward convex shapes is controllable not only by tuning the physical properties of the polymer but also by conditioning the water evaporating atmosphere. We envision that demonstrations with different cell aperture designs will expand the realization of this phenomenon using other synthetic polymers or chemical species. Such an open system design with humidity tuning is a strategy for exposure to non-equilibrium phenomena using various soft materials, particles, fibers, and networks. ‘Meniscus splitting’ is demonstrated by using polyvinyl alcohol solutions for highlighting universality in open systems. The interfacial convexity can be critically deformed upward or downward under control of humidity gradient.
DOI: 10.6084/m9.figshare.29168112.v2
title: Design of open systems for meniscus splitting demonstrated using an aqueous polymer solution

description: Open systems on the surfaces of soft materials induce dissipative structures such as evaporative self-organization. Based on the viscous fingering phenomena, we demonstrate a meniscus splitting phenomena by evaporating an aqueous solution of versatile polyvinyl alcohol (PVA) solution from a Hele–Shaw cell. To understand it as a universal phenomenon independent of the polymer species, the distinct evolutionary pathways to pattern formation were evaluated, focusing on the interface deformation and directional deposition of the polymer. The PVA solution, which showed a steep concentration-dependent viscosity gradient under a local moderate humidity gradient, was capable of bridging the cell gap for vertical membrane formation. The interfacial shape transformation from one downward concave to multiple upward convex shapes is controllable not only by tuning the physical properties of the polymer but also by conditioning the water evaporating atmosphere. We envision that demonstrations with different cell aperture designs will expand the realization of this phenomenon using other synthetic polymers or chemical species. Such an open system design with humidity tuning is a strategy for exposure to non-equilibrium phenomena using various soft materials, particles, fibers, and networks. ‘Meniscus splitting’ is demonstrated by using polyvinyl alcohol solutions for highlighting universality in open systems. The interfacial convexity can be critically deformed upward or downward under control of humidity gradient.
DOI: 10.5281/zenodo.18470515
title: Plasma membrane all-atom simulations: D-erythro sphingoid motif variant [part 2/2]
DOI: 10.5281/zenodo.18470516
title: Plasma membrane all-atom simulations: D-erythro sphingoid motif variant [part 2/2]
DOI: 10.6084/m9.figshare.29168112.v1
title: Design of open systems for meniscus splitting demonstrated using an aqueous polymer solution

description: Open systems on the surfaces of soft materials induce dissipative structures such as evaporative self-organization. Based on the viscous fingering phenomena, we demonstrate a meniscus splitting phenomena by evaporating an aqueous solution of versatile polyvinyl alcohol (PVA) solution from a Hele – Shaw cell. To understand it as a universal phenomenon independent of the polymer species, the distinct evolutionary pathways to pattern formation were evaluated, focusing on the interface deformation and directional deposition of the polymer. The PVA solution, which showed a steep concentration-dependent viscosity gradient under a local moderate humidity gradient, was capable of bridging the cell gap for vertical membrane formation. The interfacial shape transformation from one downward concave to multiple upward convex shapes is controllable not only by tuning the physical properties of the polymer but also by conditioning the water evaporating atmosphere. We envision that demonstrations with different cell aperture designs will expand the realization of this phenomenon using other synthetic polymers or chemical species. Such an open system design with humidity tuning is a strategy for exposure to non-equilibrium phenomena using various soft materials, particles, fibers, and networks.
DOI: 10.6084/m9.figshare.28548009
title: Formulation of catechol-containing adhesives for enhanced underwater bonding and workability

description: Catechol-containing polymers inspired by marine mussels have gained significant interest in recent years, leading to applications in several fields. Among these polymer systems, poly(vinylcatechol-styrene) (PVCS) has become a popular option due to its exceptional underwater adhesion strength, with readily available monomers and diverse synthetic routes being available. However, the translation of any novel adhesive chemistry from academic research to real-world applications can be challenging. Acrylates, epoxies, and urethanes were introduced to markets over half a century ago and remain dominant. However, bonding in wet environments remains lacking. The work presented here addresses this gap by focusing on the formulation of PVCS-based adhesives for conditions outside of the research lab. An emphasis was placed on handling properties when working underwater. A collection of different substrates were bonded together and several commercial glues provided benchmarks. Environmental conditions were studied to broaden the potential applications of PVCS adhesives in underwater settings. By optimizing formulations, we present an adhesive system that retains the superior underwater bonding of PVCS while also offering enhanced workability. This approach may help open the door to utilization of a new adhesive chemistry for underwater applications. This work advances biomimetic polymer formulations inspired by marine mussels, addressing current limitations in underwater adhesion and paving the way for practical, widely available underwater adhesives in various applications.
DOI: 10.6084/m9.figshare.28548009.v2
title: Formulation of catechol-containing adhesives for enhanced underwater bonding and workability

description: Catechol-containing polymers inspired by marine mussels have gained significant interest in recent years, leading to applications in several fields. Among these polymer systems, poly(vinylcatechol-styrene) (PVCS) has become a popular option due to its exceptional underwater adhesion strength, with readily available monomers and diverse synthetic routes being available. However, the translation of any novel adhesive chemistry from academic research to real-world applications can be challenging. Acrylates, epoxies, and urethanes were introduced to markets over half a century ago and remain dominant. However, bonding in wet environments remains lacking. The work presented here addresses this gap by focusing on the formulation of PVCS-based adhesives for conditions outside of the research lab. An emphasis was placed on handling properties when working underwater. A collection of different substrates were bonded together and several commercial glues provided benchmarks. Environmental conditions were studied to broaden the potential applications of PVCS adhesives in underwater settings. By optimizing formulations, we present an adhesive system that retains the superior underwater bonding of PVCS while also offering enhanced workability. This approach may help open the door to utilization of a new adhesive chemistry for underwater applications. This work advances biomimetic polymer formulations inspired by marine mussels, addressing current limitations in underwater adhesion and paving the way for practical, widely available underwater adhesives in various applications.
DOI: 10.6084/m9.figshare.28548009.v1
title: Formulation of Catechol-Containing Adhesives for Enhanced Underwater Bonding and Workability

description: Catechol-containing polymers inspired by marine mussels have gained significant interest in recent years, leading to applications in several fields. Among these polymer systems, poly(vinylcatechol-styrene) (PVCS) has become a popular option due to exceptional underwater adhesion strength, with readily available monomers and diverse synthetic routes being available. However, the translation of any novel adhesive chemistry from academic research to real-world applications can be challenging. Acrylates, epoxies, and urethanes were introduced to markets over half a century ago and remain dominant. However, bonding in wet environments remains lacking. The work presented here addresses this gap by focusing on the formulation of PVCS-based adhesives for conditions outside of the research lab. An emphasis was placed on handling properties when working underwater. A collection of different substrates were bonded together and several commercial glues provided benchmarks. Environmental conditions were studied to broaden the potential applications of PVCS adhesives in underwater settings. By optimizing formulations, we present an adhesive system that retains the superior underwater bonding of PVCS while also offering enhanced workability. This approach may help open the door to utilization of a new adhesive chemistry for underwater applications. This work advances biomimetic polymer formulations inspired by marine mussels, addressing current limitations in underwater adhesion and paving the way for practical, widely available underwater adhesives in various applications.
DOI: 10.5281/zenodo.17122215
title: Instrumented robotic clothes hanger insertion

description: Camera, robot pose, and sensor data for the ICRA2026 paper "Instrumentation for Imitation Learning: Enhancing Training Datasets for Clothes Hanger Insertion", by Remko Proesmans, Thomas Lips & Francis wyffels.
DOI: 10.5281/zenodo.17122216
title: Instrumented robotic clothes hanger insertion

description: Camera, robot pose, and sensor data for the ICRA2026 paper "Instrumentation for Imitation Learning: Enhancing Training Datasets for Clothes Hanger Insertion", by Remko Proesmans, Thomas Lips & Francis wyffels.
DOI: 10.5281/zenodo.18479187
title: Plasma membrane all-atom simulations: 3-keto sphingoid motif variant [part 1/2]
DOI: 10.5281/zenodo.18479188
title: Plasma membrane all-atom simulations: 3-keto sphingoid motif variant [part 1/2]
DOI: 10.15468/dl.3x4wpq
title: Occurrence Download

description: A dataset containing 647 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rumex induratus",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Specimen)"
 ]
}

 The dataset includes 647 records from 40 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011603-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18482403
title: LINF_320029500

description: Protein of unknown function - conserved; Leishmania infantum (strain JPCM5)
DOI: 10.5281/zenodo.18482402
title: LINF_320029500

description: Protein of unknown function - conserved; Leishmania infantum (strain JPCM5)
DOI: 10.5281/zenodo.18481487
title: SuperDARN data in netCDF format (2012-Jun)

description: 2012-Jun SuperDARN radar data in netCDF format. These files were produced using version 3.0 of the public FitACF algorithm, using the AACGM v2 coordinate system. Cite this dataset if using our data in a publication.


The RST is available here: https://github.com/SuperDARN/rst



The research enabled by SuperDARN is due to the efforts of teams of scientists and engineers working in many countries to build and operate radars, process data and provide access, develop and improve data products, and assist users in interpretation.
Users of SuperDARN data and data products are asked to acknowledge this support in presentations and publications.
A brief statement on how to acknowledge use of SuperDARN data is provided below.




Users are also asked to consult with a SuperDARN PI prior to submission of work intended for publication.
A listing of radars and PIs with contact information can be found here:
(SuperDARN Radar Overview)



Recommended form of acknowledgement for the use of SuperDARN data:



'The authors acknowledge the use of SuperDARN data. SuperDARN is a collection of radars funded by national scientific funding agencies of Australia, Canada, China, France, Italy, Japan, Norway, South Africa, United Kingdom and the United States of America.'
DOI: 10.5281/zenodo.6520204
title: SuperDARN data in netCDF format (2012-Jun)

description: 2012-Jun SuperDARN radar data in netCDF format. These files were produced using version 3.0 of the public FitACF algorithm, using the AACGM v2 coordinate system. Cite this dataset if using our data in a publication.


The RST is available here: https://github.com/SuperDARN/rst



The research enabled by SuperDARN is due to the efforts of teams of scientists and engineers working in many countries to build and operate radars, process data and provide access, develop and improve data products, and assist users in interpretation.
Users of SuperDARN data and data products are asked to acknowledge this support in presentations and publications.
A brief statement on how to acknowledge use of SuperDARN data is provided below.




Users are also asked to consult with a SuperDARN PI prior to submission of work intended for publication.
A listing of radars and PIs with contact information can be found here:
(SuperDARN Radar Overview)



Recommended form of acknowledgement for the use of SuperDARN data:



'The authors acknowledge the use of SuperDARN data. SuperDARN is a collection of radars funded by national scientific funding agencies of Australia, Canada, China, France, Italy, Japan, Norway, South Africa, United Kingdom and the United States of America.'
DOI: 10.5281/zenodo.18479447
title: Plasma membrane all-atom simulations: 3-keto sphingoid motif variant [part 2/2]
DOI: 10.5281/zenodo.18479446
title: Plasma membrane all-atom simulations: 3-keto sphingoid motif variant [part 2/2]
DOI: 10.5281/zenodo.18480356
title: Plasma membrane all-atom simulations: Dihydro sphingoid motif variant [part 1/2]
DOI: 10.5281/zenodo.18480357
title: Plasma membrane all-atom simulations: Dihydro sphingoid motif variant [part 1/2]
DOI: 10.15468/dl.zre786
title: Occurrence Download

description: A dataset containing 1359 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Charybdis hellerii"
 ]
}

 The dataset includes 1359 records from 55 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011605-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8jjrmu
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rumex spinosus",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Specimen)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011606-260129131611470/datasets/export for details.
DOI: 10.5281/zenodo.18481479
title: Plasma membrane all-atom simulations: Dihydro sphingoid motif variant [part 2/2]
DOI: 10.5281/zenodo.18481480
title: Plasma membrane all-atom simulations: Dihydro sphingoid motif variant [part 2/2]
DOI: 10.17909/jqj3-ws37
title: Data used in Roberts-Borsani et al., "JWST Spectroscopic Insights Into the Diversity of Galaxies in the First 500 Myr: Short-Lived Snapshots Along a Common Evolutionary Pathway"
DOI: 10.5281/zenodo.15423467
title: Simulated pp collisions at 13 TeV for Standard Model background and beyond Standard Model signals with 2 leptons, 1-bjet and high HT

description: The dataset comprises simulated events from pp collisions at 13 TeV. Standard Model (SM) background events and a diverse set of beyond Standard Model (BSM) signals with 2 leptons, 1 b-jet and  H_T > 500 GeV in the final state were simulated.

The SM background was generated at leading order, and it includes Z+jets, ttbar, WW, WZ and ZZ subsamples. The processes were generated in kinematic regions to ensure good statistics across the whole phase space. The sampling was carried out using event generation filters at parton level as follows:



ttbar: pT <100 GeV; pT in [100, 250] GeV; pT > 250 GeV

The scalar sum of the pT of outgoing particles (ST) for Z+Jet: ST < 250 Gev; ST in [250, 500] GeV; ST > 500 GeV

W/Z pT for dibosons: pT < 250 GeV; pT in [250, 500] GeV; pT > 500 GeV


The BSM signals include:



Pair production of heavy vector-like T quarks, with T masses mT = {1.0, 1.4} TeV;

tZ production through a flavour-changing neutral current vertex;

Production of a Randall-Sundrum  radion R  with mR = 4 TeV;

Top quark pair production in association with a heavy Higgs boson H' (2HDM), with mH' = 400 GeV;

Production of  W_R, decaying N_R, and a charged lepton, with masses mW_R = 6.5 TeV and mN_R = 1.5 TeV (Left-Right Symmetric Model).


All samples were generated using MadGraph5 2.6.5, and the detector was simulated using Delphes 3 with the default CMS card. Pythia 8.2 was used for the hadronisation of the events. The features are in Cartesian coordinates, and the accumulation at zeros from non-reconstructed objects (i.e. missing values) is removed. Each file provides a train:validation:test split with the ratio 1:1:1 to ensure equal statistical description of the events. 

The events were generated with the support of the Nacional de Computação Avançada (CNCA) under the 2023.10635.CPCA.A1 project. For the details of the generation, please refer to Sensitivity to new physics phenomena in anomaly detection: A study of untunable hyperparameters.
DOI: 10.5281/zenodo.15423466
title: Simulated pp collisions at 13 TeV for Standard Model background and beyond Standard Model signals with 2 leptons, 1-bjet and high HT

description: The dataset comprises simulated events from pp collisions at 13 TeV. Standard Model (SM) background events and a diverse set of beyond Standard Model (BSM) signals with 2 leptons, 1 b-jet and  H_T > 500 GeV in the final state were simulated.

The SM background was generated at leading order, and it includes Z+jets, ttbar, WW, WZ and ZZ subsamples. The processes were generated in kinematic regions to ensure good statistics across the whole phase space. The sampling was carried out using event generation filters at parton level as follows:



ttbar: pT <100 GeV; pT in [100, 250] GeV; pT > 250 GeV

The scalar sum of the pT of outgoing particles (ST) for Z+Jet: ST < 250 Gev; ST in [250, 500] GeV; ST > 500 GeV

W/Z pT for dibosons: pT < 250 GeV; pT in [250, 500] GeV; pT > 500 GeV


The BSM signals include:



Pair production of heavy vector-like T quarks, with T masses mT = {1.0, 1.4} TeV;

tZ production through a flavour-changing neutral current vertex;

Production of a Randall-Sundrum  radion R  with mR = 4 TeV;

Top quark pair production in association with a heavy Higgs boson H' (2HDM), with mH' = 400 GeV;

Production of  W_R, decaying N_R, and a charged lepton, with masses mW_R = 6.5 TeV and mN_R = 1.5 TeV (Left-Right Symmetric Model).


All samples were generated using MadGraph5 2.6.5, and the detector was simulated using Delphes 3 with the default CMS card. Pythia 8.2 was used for the hadronisation of the events. The features are in Cartesian coordinates, and the accumulation at zeros from non-reconstructed objects (i.e. missing values) is removed. Each file provides a train:validation:test split with the ratio 1:1:1 to ensure equal statistical description of the events. 

The events were generated with the support of the Nacional de Computação Avançada (CNCA) under the 2023.10635.CPCA.A1 project. For the details of the generation, please refer to Sensitivity to new physics phenomena in anomaly detection: A study of untunable hyperparameters.
DOI: 10.5281/zenodo.18482337
title: Cost model for carbon dioxide and hydrogen derivatives land and sea transport

description: This repository contains cost models for the transportation of hydrogen and its derivatives as well as carbon dioxide. The cost models have been implemented in MS Excel. A separate file has been made for road transportation and ship transportation. At this moment rail transport has not been included because of lack of reliable data. The user may change the parameters which have been styled with the Excel "input" style. The results are given as total cost per tonne of cargo or per megawatt-hour of energy.
DOI: 10.5281/zenodo.18482336
title: Cost model for carbon dioxide and hydrogen derivatives land and sea transport

description: This repository contains cost models for the transportation of hydrogen and its derivatives as well as carbon dioxide. The cost models have been implemented in MS Excel. A separate file has been made for road transportation and ship transportation. At this moment rail transport has not been included because of lack of reliable data. The user may change the parameters which have been styled with the Excel "input" style. The results are given as total cost per tonne of cargo or per megawatt-hour of energy.
DOI: 10.5281/zenodo.18482132
title: Chemist Eye: Experimental Assets for Safety Monitoring in Self-Driving Laboratories

description: This Zenodo repository contains CAD files, ROS bag recordings, and image datasets used in the Chemist Eye system for laboratory safety monitoring and robot decision-making. The assets support full reproducibility of the experiments presented in the associated publication.