cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17234053
title: Computational Data: Chemically Distinct Adsorption of Sulfide Inhibitors for Multi-Surface Passivation and Area Selective Deposition of HfO2

description: In recent years, the area-selective atomic layer deposition (AS-ALD) process has excelled over conventional methods for precise and area-selective thin film deposition. This area-selective deposition (ASD) method has displayed promising capability for 2D and 3D nanoscale patterning. Since the growth of ALD film strongly depends on surface chemical properties, the key factor to enable ASD is proper control of surface properties, which is commonly achieved by chemisorption of molecules, called inhibitors. Thin film deposition is suppressed on the inhibitor-tailored surfaces but is active on the non-treated surface. In this regard, understanding the chemical reactions between the original surface and small-molecule inhibitors (SMIs), as well as their interactions with ALD precursors and reactants, is crucial for determining growth versus non-growth surfaces and the extent of surface passivation. In this study, two organosulfide inhibitors, dipropyl sulfide (DPS) and isopropyl sulfide (IPS), have been utilized for AS-ALD on metal, oxide, and nitride surfaces, Cu, SiO2, and TiN, respectively. The two inhibitor molecules exhibited distinct adsorption behavior despite sharing the same elemental composition. Both DPS and IPS selectively adsorbed on Cu, whereas only DPS showed adsorption on SiO2, while TiN remained unreactive toward either inhibitor. The density functional theory (DFT) study revealed that the inhibitors could undergo dissociation into fragments, enabling distinct adsorption configurations on the Cu and SiO2 substrates for both inhibitors, enabling inhibition of two surfaces through a single inhibitor. This demonstration of multi-surface inhibition by a single organic molecule highlights the importance of inhibitor molecular adsorption configurations in dictating surface passivation and selectivity and offers a molecular-level insight for selecting inhibitors to control surface chemistry in AS-ALD. Additionally, this concept of multi-surface inhibition by a single inhibitor can be an essential approach for Si device fabrication, where several surfaces are exposed under AS-ALD processes.
DOI: 10.5281/zenodo.17174506
title: Parkinson's Anxiety Network (anxiety-network-pd)

description: An a priori anxiety network, based on previously reported results in structural and microstructural Parkinson’s disease anxiety literature.

This network will be used in a region of interest analysis in a neuroimaging study characterising the microstructural basis of anxiety in early Parkinson's disease. It will be used alongside a High Density Anxiety Network (10.5281/zenodo.17158446).

This network was updated in September 2025 and replaced a previous version originally published in November 2024. Following advice from an advisory thesis committee, a systematic review of PD anxiety neuroannatomical literature was conducted to inform the network, replacing a previous narrative review. This resulted in small changes to the annatomical nodes of the network. The update includes the addition of the left inferior frontal gyrus (opercular and triangular part), bilateral medial orbital gyrus, left anteroventral nucleus of the thalamus, bilateral substantia nigra pars compacta and reticulata and ventral tegmental area. The left inferior frontal gyrus pars orbitalis was removed. All other regions remain the same.
DOI: 10.5281/zenodo.17827401
title: Turn broad into narrow: Understanding of the Pr3+ → Gd3+ energy transfer in Cs2NaYCl6

description: Dataset accompanying figures published in the currently peer-reviewed publication
DOI: 10.5281/zenodo.17176766
title: Pan-European Functional Connectivity and Corridor Prioritization for Terrestrial Vertebrates

description: This dataset includes functional connectivity data layers for all terrestrial vertebrates within and surrouding the European Union. These data were produced by the Horizion EU project NaturaConnect (Task 6.3) as detailed in Deliverable 6.2 "Protected area connectivity: prioritising trans-European ecological connectivity". These data are derived from a novel framework that integrates Omniscape, graph-theory metrics, and randomized shortest paths (RSP) to identify key connectivity pinch points and prioritize ecological corridors for 30 terrestrial vertebrate archetypes hat constitute all vertebrate species in the EU.

The dpc_nodes.zip contains a .RDS point spatial layer for each archetype. These are the protected area nodes and their corresponding dPC values that were used for RSP analysis. The omniscape.zip folders are divided by major taxonomic groups. They contain cumulative current density and normalized current density maps for each archetype. 

The cumulative_rsp.zip contains archetype-specific RSP shapefiles and a merged all vertebrate species shapefile. The "cmltv_n" attribute column should be treated as the integrated corridor priority value.
DOI: 10.5281/zenodo.17029586
title: Apparent Hack's Law in River Deltas

description: code and raw data used to generate figures in the publicated manscuript.
DOI: 10.5281/zenodo.17234887
title: Structural connectivity of terrestrial level 3 EUNIS habitats

description: An analysis workflow quantifies the connectivity of terrestrial habitat types by combining continuous habitat-probability surfaces with fragmentation pressures-road infrastructure—and masking land-cover mismatches. A consistent Europe-wide set of maps quantifies structural connectivity for EUNIS Level-3 habitats, derived from 100 m habitat-probability surfaces (0–1) produced by NaturaConnect (Si-Moussi et al., 2024; Horizon EU, Task 6.3, Deliverable 6.2).Connectivity is measured using probability-weighted, normalized Effective Mesh Size (Meff_pw_norm; Jaeger, 2000) in a moving-window approach. Pixels with low probability (P < 0.1) are excluded; land-cover mismatches are masked using a CLC–EUNIS crosswalk (Si-Moussi et al., 2024) with CORINE Land Cover 2018 (EEA, 2021); and road corridors are removed using a binary OpenStreetMap roads raster. Meff is computed on probability-weighted connected components within a 10.1 × 10.1 km window and divided by the window area (102.01 km²), yielding a 0–1 fraction of effectively connected habitat per pixel.The resulting dataset offers a practical, comparable basis to describe the state of ecological connectivity for habitats of interest, including those protected under the Natura 2000 network.
DOI: 10.5281/zenodo.16629410
title: Curated dataset of Fabaceae type specimens collected in Mozambique, supporting a Manuscript Submitted to Plant Diversity (Elsevier)

description: This dataset accompanies a manuscript submitted to the journal Plant Diversity (Elsevier). It includes a curated list of Fabaceae type specimens collected in Mozambique, with information on their native status, growth form, IUCN conservation status, native distribution, protologue reference, collector, location, coordinates, collection year, and host herbarium.

The dataset will be made publicly available upon acceptance of the manuscript.

File contents:



excel file: "Supplementary_Data_Table S1.xlsx" (with the dataset)

txt file: "README.txt" (with metadata and column description)
DOI: 10.5281/zenodo.16655664
title: Comparing Robotic and Computer Vision Assessments of Unilateral and Bilateral Reaching in Healthy Adults
DOI: 10.5281/zenodo.16911023
title: Source Data- Household circulation of Salmonella species between humans, animals and the environment in Malawi

description: Source Data file.
DOI: 10.5281/zenodo.14515034
title: Grassland database WP4 CarboSeq

description: Database for Grassland C stocks and management of WP4
DOI: 10.5281/zenodo.14603684
title: R codes of WP4
DOI: 10.5281/zenodo.16352658
title: test final

description: descriere test
DOI: 10.5281/zenodo.17455922
title: Computational Data: Thickness-driven modulation of electronic transport in SnSe2-grown films by low-temperature atomic layer deposition

description: Low-temperature atomic layer deposition (ALD) is increasingly important for the integration of layered metal dichalcogenides such as tin diselenide (SnSe₂) into advanced nanoelectronic devices, where compatibility with temperature-sensitive substrates and precise thickness control are essential. Using a novel and highly reactive selenium precursor, namely, bis(trimethylstannyl)selenide or Se(SnMe3)2, SnSe2 films were deposited at reduced temperatures. As-deposited films are initially amorphous; however, post-deposition annealing at 250 °C induces crystallization. Structural analysis reveals a clear evolution in crystallinity: ultrathin films (~25 nm) exhibit nearly single-crystalline, defect-free domains, while thicker films (~100 nm) transition to a polycrystalline structure. This controlled variation in crystal quality directly influences the electronic transport properties, demonstrating the potential of low-temperature ALD combined with mild annealing for scalable fabrication of high-performance, thickness-engineered SnSe2-based devices.
DOI: 10.5281/zenodo.17579304
title: Computational data: Role of idealized surface representations in computational AS-ALD: Assessing trimethoxypropylsilane blocking performance for Al₂O₃ deposition with crystalline SiO₂

description: Area-selective atomic layer deposition (AS-ALD) using small molecule inhibitors (SMIs) holds promise for thin-film patterning but suffers from selectivity loss over multiple cycles. This study explores the mechanisms causing this loss during Al2O3 growth with SiO2 as the non-growth surface, inhibited by trimethoxypropylsilane (TMPS). We analyze SMI adsorption, maximum coverage, precursor penetration, and reactions with surface hydroxyl groups. Using a crystalline α-quartz slab to model SiO2, we compare outcomes to previous amorphous surface studies to evaluate the validity of idealized models. We find that TMPS achieves inhibitor densities similar to those in amorphous models but does not fully saturate surface hydroxyls. Precursor access through the inhibitor layer depends on molecular size, adsorption energetics, and dimerization. Larger species like TDMAA and DMAI are effectively blocked, while smaller ones such as TMA and AlCl3 reach exposed OH groups, leading to ALD reactions at these sites and selectivity loss. Although findings generally align with those from amorphous surface models, distinctions emerge: amorphous models better reflect realistic OH densities and bonding diversity, capturing surface chemistry more accurately. Thus, while idealized (crystalline) models inform general SMI behavior, amorphous models are crucial for a more comprehensive understanding of AS-ALD selectivity and inhibitor mechanisms. Both approaches should be integrated for future studies.
DOI: 10.5281/zenodo.17965171
title: Computational data: Role of idealized surface representations in computational AS-ALD: Assessing trimethoxypropylsilane blocking performance for Al₂O₃ deposition with crystalline SiO₂

description: Area-selective atomic layer deposition (AS-ALD) using small molecule inhibitors (SMIs) holds promise for thin-film patterning but suffers from selectivity loss over multiple cycles. This study explores the mechanisms causing this loss during Al2O3 growth with SiO2 as the non-growth surface, inhibited by trimethoxypropylsilane (TMPS). We analyze SMI adsorption, maximum coverage, precursor penetration, and reactions with surface hydroxyl groups. Using a crystalline α-quartz slab to model SiO2, we compare outcomes to previous amorphous surface studies to evaluate the validity of idealized models. We find that TMPS achieves inhibitor densities similar to those in amorphous models but does not fully saturate surface hydroxyls. Precursor access through the inhibitor layer depends on molecular size, adsorption energetics, and dimerization. Larger species like TDMAA and DMAI are effectively blocked, while smaller ones such as TMA and AlCl3 reach exposed OH groups, leading to ALD reactions at these sites and selectivity loss. Although findings generally align with those from amorphous surface models, distinctions emerge: amorphous models better reflect realistic OH densities and bonding diversity, capturing surface chemistry more accurately. Thus, while idealized (crystalline) models inform general SMI behavior, amorphous models are crucial for a more comprehensive understanding of AS-ALD selectivity and inhibitor mechanisms. Both approaches should be integrated for future studies.
DOI: 10.5281/zenodo.16911547
title: Computational data: Role of idealized surface representations in computational AS-ALD: Assessing trimethoxypropylsilane blocking performance for Al₂O₃ deposition with crystalline SiO₂

description: Area-selective atomic layer deposition (AS-ALD) using small molecule inhibitors (SMIs) holds promise for thin-film patterning but suffers from selectivity loss over multiple cycles. This study explores the mechanisms causing this loss during Al2O3 growth with SiO2 as the non-growth surface, inhibited by trimethoxypropylsilane (TMPS). We analyze SMI adsorption, maximum coverage, precursor penetration, and reactions with surface hydroxyl groups. Using a crystalline α-quartz slab to model SiO2, we compare outcomes to previous amorphous surface studies to evaluate the validity of idealized models. We find that TMPS achieves inhibitor densities similar to those in amorphous models but does not fully saturate surface hydroxyls. Precursor access through the inhibitor layer depends on molecular size, adsorption energetics, and dimerization. Larger species like TDMAA and DMAI are effectively blocked, while smaller ones such as TMA and AlCl3 reach exposed OH groups, leading to ALD reactions at these sites and selectivity loss. Although findings generally align with those from amorphous surface models, distinctions emerge: amorphous models better reflect realistic OH densities and bonding diversity, capturing surface chemistry more accurately. Thus, while idealized (crystalline) models inform general SMI behavior, amorphous models are crucial for a more comprehensive understanding of AS-ALD selectivity and inhibitor mechanisms. Both approaches should be integrated for future studies.
DOI: 10.5281/zenodo.16647115
title: Video and Data for 'Branch orientation: A potential indicator of stem rehydration and water stress'

description: Stem rehydration and water stress are critical ecohydrological processes in temperate and boreal forests, shaping seasonal water balance and productivity. In snow‑dominated systems, the timing of rehydration signals the transition from winter dormancy to spring growth, yet low‑cost field indicators remain scarce.

This dataset documents synchronous stem radius changes and branch posture dynamics in balsam fir (Abies balsamea) during early and late spring (March–May 2022) in the Harp‑4 catchment, Muskoka River Watershed, Ontario, Canada (45°22′N, 79°6′W). High‑frequency dendrometer data were combined with time‑lapse imagery to capture freeze–thaw cycles, snowmelt recharge, and rainfall events, with supporting meteorological data from the Dorset Environmental Science Centre.

The repository includes the final compiled video (integrating imagery, dendrometer, and environmental data), processed dendrometer time series, and the code used for visualization. These data provide evidence that branch posture can serve as a qualitative, low‑cost indicator of stem rehydration and subsurface water availability, with further research encouraged across species and forest types.

Specifically, this repository contains:



README.txt (metadata and processing details)

Nehemy_Hackmann_McDonnell_VideoTimelapse_Harp4_Waving_Trees.MP4 (time-lapse video documentation)

Harp4_Dendrometer-radius_2022.csv (stem radius time series)

RScript-Dendrometer_animation-Nehemy_Hackmann_McDonnell_2025 (.RScript)


This dataset was used in the following publication:Nehemy, M. F., Hackmann, C., McDonnell, J.J. Branch position: A potential indicator of stem rehydration and water stress. Hydrological Processes – HPeye.

For inquiries regarding data use, please contact Magali Nehemy.

This work was conducted on the traditional territory of the Anishinaabeg, including the Ojibway, Chippewa, and Algonquin peoples, whose care for this land continues to guide us. We thank Dr. Barbara (Moktthewenkwe) Wall for sharing her knowledge of the trees and waters, Huaxia Yao (Dorset Environmental Science Centre) for meteorological data, and Jim Buttle for early conversations on Harp‑4. Support was provided by the NSERC Discovery Grant Program (MFN, JJM) and the Dorothea Schlözer Program, University of Göttingen (CAH).
DOI: 10.5281/zenodo.18152565
title: TCR and BCR data supporting the findings of the manuscript "Confined B-cell reconstruction and high T-cell clonality define clinical response to cladribine treatment" by Schneider-Hohendorf et al. 2026

description: This dataset includes the TCR and BCR files together with a metadata file to reproduce the findings of the manuscript "Confined B-cell reconstruction and high T-cell clonality define clinical response to cladribine treatment" by Schneider-Hohendorf et al., published in 2026.
DOI: 10.5281/zenodo.14907494
title: Surface scans of second mandibular molars of platyrrhine primates

description: This zip file contains surface scans of lower second molars of platyrrhine primates.
DOI: 10.5281/zenodo.16352817
title: test_final2

description: test de tst
DOI: 10.5281/zenodo.16845258
title: Soil Property Responses to Push-Pull Cropping in East Africa
title: Data for Peer Review – Confidential until February 2026

description: ABSTRACT 

Push-pull technology is increasingly promoted in Sub-Saharan Africa, particularly for pest management and enhancing crop productivity. However, its influence on soil properties remains understudied, despite its potential implications for soil health and sustainable soil fertility management. This study examines how push-pull and non-push-pull systems, as well as components of push-pull, affect soil properties. Soil samples were collected from push-pull and non-push-pull plots in Ethiopia, Kenya, Rwanda, and Uganda. We examined the associations between soil physicochemical properties and cropping systems, along with key components of push-pull, namely Desmodium coverage and plot age, manure and mineral fertiliser use, and clay content. Push-pull systems in Ethiopia were negatively associated with cation-exchange capacity, carbon-to-nitrogen ratio, and copper and marginally with iron and magnesium. In Kenya, push-pull was positively associated with iron, whereas in Rwanda and Uganda, no significant associations were observed. In Kenya and Uganda, Desmodium cover was positively associated with soil organic matter, cation-exchange capacity, potassium, and sulphur. Additional positive associations were found with sodium, boron, and copper in Uganda, nitrogen and marginally calcium in Kenya, and phosphorus in Rwanda. Plot age in Kenya was negatively associated with pH and potassium, and in Uganda, with copper. No significant associations were observed in Rwanda. In Kenya, manure was negatively associated with several micronutrients and pH, while in Uganda, it was positively associated with base cations and micronutrients. In Ethiopia, positive associations with potassium, zinc, and calcium and negative associations with phosphorus and magnesium were observed within push-pull systems. Mineral fertilizer use in Kenya was negatively associated with potassium and pH, with similar patterns observed within push-pull. Clay content was consistently positively associated with base cations and micronutrients across countries. Our findings highlight the complex and context-dependent effects of PP cropping on soil properties, highlighting the need for site-specific management to sustain soil health and crop productivity across Sub-Saharan Africa.
DOI: 10.5281/zenodo.17158446
title: High density Anxiety Network (anxiety-network-all)

description: An a priori anxiety network, based on a comprehensive review of anxiety literature, combining literature from humans, both Parkinson's Disease and non-Parkinson's disease groups, and animal models.

This network will be used in a region of interest analysis in a neuroimaging study characterising the microstructural basis of anxiety in early Parkinson's disease. It will be used alongside a Parkinson's Anxiety Network (10.5281/zenodo.17174506).

This network was updated in September 2025 and replaced a previous version originally published in November 2024. Following advice from an advisory thesis committee, a systematic review of PD anxiety neuroannatomical literature was conducted to inform the network, replacing a previous narrative review. This resulted in small changes to the annatomical nodes of the network. The update includes the addition of the bilateral orbital gyrus (split into 5 subregions) and the bilateral substantia nigra pars compacta and reticulata. All other regions remain the same.
DOI: 10.5281/zenodo.17791347
title: Supplementary dataset for: "Volume-dependent friction of ice avalanches: insights from back-analyses using depth-averaged modelling"

description: This dataset contains the raster layers required to simulate past ice avalanche events presented in the article "Volume-dependent friction of ice avalanches: insights from back-analyses using depth-averaged modelling". Each event consists of a layer for the terrain model where the event occurs, a raster layer delineating the source of the ice avalanche, and a layer highlighting the area of the avalanche deposit. Moreover, an additional layer showing the simulated flow height at the arrest time (t_diff) for each event is also uploaded. The authors thank Stéphane Roudnitska and Juliette Bazin (RTM/ONF, France) for providing information on ice avalanche cases in the French Alps. The authors also thank Fabrizio Troilo and Paolo Perret (FMS, Italy) for providing information on ice avalanche cases in Italy.
DOI: 10.5281/zenodo.16353278
title: tes_final_final

description: some final test
DOI: 10.5281/zenodo.17802985
title: FT-IR spectral data of methicillin-resistant Staphylococcus aureus isolates from Southwest Finland, 2023-2024

description: Fourier Transform Infrared Spectroscopy data, wavenumber regions 1300-800 1/cm, methicillin-resistant Staphylococcus aureus isolates from Southwest Finland, 2023-2024. Deposited in .csv file format. Dataset includes metadata columns (identifier, acquisition date, MRSA/MSSA, PVL, spa type, specimen type, outbreak association). Data on 176 isolates (6 spectra/isolate including triplicate technical and duplicate biological replicates).
DOI: 10.5281/zenodo.16743372
title: NAA raw data Lilybaeum 01

description: NAA raw data of 30 ceramics of the Hellenistic period sampled at Marsala (ancient Lilybaeum), western Sicily. Raw weight concentration data are given in microgram/gram (ppm)