cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.24435/materialscloud:e0-re
title: A ductility criterion for bcc high entropy alloys

description: A current goal driving alloy development is the identification of alloy compositions for high temperature applications but with the additional requirement of sufficient ductility at ambient temperatures. Multicomponent, single-phase, polycrystalline High Entropy Alloys (HEAs) have recently emerged as a new class of metal alloys, and some refractory bcc HEAs composed mainly of Nb, V, Ta, Cr, Mo, and/or W show excellent strength retention up to very high temperatures but low ductility at room temperature (RT). Here, it is postulated that the macroscopic ductility in bcc elements and alloys is determined by the intrinsic competition between brittle cleavage and ductile dislocation emission mechanisms at an atomistically sharp crack. The stress intensities K_Ic for cleavage and K_Ie for emission are evaluated within Linear Elastic Fracture Mechanics and validated by atomistic simulations on model alloys. A RT ductility criterion based on K_Ie/K_Ic for critical crack orientations is proposed based on the elemental metals and is then applied to HEAs. Agreement with experimental trends in ductility vs. composition across a range of existing HEAs is demonstrated. The analysis is then extended across large composition spaces of the Mo-Nb-Ta-V-W and Mo-Nb-Ti alloy families, identifying new compositions with the potential for RT ductility.
DOI: 10.24378/exe.5766
title: Site level data on projected Western Atlantic coral reef accretion rates and SST-OA projections (dataset)

description: Dataset includes key metrics associated with sites in the Florida Keys, Mexico and the Gulf of Mexico, and Bonaire reported in the paper: Perry et al. Reduced Atlantic reef growth past 2°C warming amplifies sea-level impacts. Each tab contains 1) site details for each region grouped by sub-region, including depth and key metrics associated with coral cover and carbonate production and erosion rates, 2) projected % changes in coral cover due to thermal stress, 3) data on interactive impacts of SST and OA on coral and CCA calcification, and bioerosion by time period and SSP, 4) revised coral G rates factoring for % changes under thermal stress, 5) revised net G rates factoring for SST and OA impacts, 6) projected changes in RAPmax by time period and SSP scenario, and 7) projected total water depth increases above reef surface by time period and SSP.
DOI: 10.24435/materialscloud:gp-ad
title: Zeo-1: A computational data set of zeolite structures

description: Fast, empirical potentials are gaining increased popularity in the computational fields of materials science, physics and chemistry. With it, there is a rising demand for high-quality reference data for the training and validation of such models. In contrast to research that is mainly focused on small organic molecules, this work presents a data set of geometry-optimized bulk phase zeolite structures. Covering a majority of framework types from the Database of Zeolite Structures, this set includes over thirty thousand geometries. Calculated properties include system energies, nuclear gradients and stress tensors at each point, making the data suitable for model development, validation or referencing applications focused on periodic silica systems.
DOI: 10.24435/materialscloud:2d-hv
title: Effect of density, phonon scattering and nanoporosity on the thermal conductivity of anisotropic cellulose nanocrystal foams

description: Ice templated anisotropic foams based on cellulose nanocrystals (CNC) with densities ranging between 25 to 130 kg.m-3 were prepared from aqueous CNC dispersions. The thermal conductivities perpendicular to the columnar macropores direction increased in a non-monotonous way with the increasing CNC foam density while the thermal conductivity reached a minimum value for the CNC foam with the highest nanoporosity. Theoretical calculations including the solid and gas conduction within the foams as well as the thermal conductivity of water showed that phonon scattering at the solid-solid interfaces is responsible for reaching low thermal conductivity values. The foam wall nanoporosity, the particle alignment, the macropores orientation and the foam wall thickness seem to have a minimal effect on the thermal conductivity but can explain the deviations between the theoretical estimates and the experimental data. To this end the identification of the important influencing factors and the great importance of phonon scattering paves the way to design new fossil-free nanofibrillar foams with superinsulating properties.
DOI: 10.24435/materialscloud:jj-fk
title: Effect of density, phonon scattering and nanoporosity on the thermal conductivity of anisotropic cellulose nanocrystal foams

description: Ice templated anisotropic foams based on cellulose nanocrystals (CNC) with densities ranging between 25 to 130 kg.m-3 were prepared from aqueous CNC dispersions. The thermal conductivities perpendicular to the columnar macropores direction increased in a non-monotonous way with the increasing CNC foam density while the thermal conductivity reached a minimum value for the CNC foam with the highest nanoporosity. Theoretical calculations including the solid and gas conduction within the foams as well as the thermal conductivity of water showed that phonon scattering at the solid-solid interfaces is responsible for reaching low thermal conductivity values. The foam wall nanoporosity, the particle alignment, the macropores orientation and the foam wall thickness seem to have a minimal effect on the thermal conductivity but can explain the deviations between the theoretical estimates and the experimental data. To this end the identification of the important influencing factors and the great importance of phonon scattering paves the way to design new fossil-free nanofibrillar foams with superinsulating properties.
DOI: 10.24435/materialscloud:yc-k5
title: On-surface activation of benzylic C–H bonds for the synthesis of pentagon-fused graphene nanoribbons

description: In this record we provide data to support our recent findings related to the fabrication of pentagon-fused graphene nanoribbons. Graphene nanoribbons (GNRs) have potential for applications in electronic devices. A key issue, thereby, is the fine-tuning of their electronic characteristics, which can be achieved through subtle structural modifications. These are not limited to the conventional armchair, zigzag, and cove edges, but also possible through incorporation of non-hexagonal rings. On-surface synthesis enables the fabrication and visualization of GNRs with atomically precise chemical structures, but strategies for the incorporation of non-hexagonal rings have been underexplored. In the publication, we describe the on-surface synthesis of armchair-edged GNRs with incorporated five-membered rings through the C-H activation and cyclization of benzylic methyl groups. Ortho-Tolyl-substituted dibromobianthryl was employed as the precursor monomer, and visualization of the resulting structures after annealing at 300 °C on a gold surface by high-resolution noncontact atomic force microscopy clearly revealed the formation of methylene-bridged pentagons at the GNR edges. These persisted after annealing at 340 °C, along with a few fully conjugated pentagons having singly-hydrogenated apexes. The benzylic methyl groups could also migrate or cleave-off, resulting in defects lacking the five-membered rings. Moreover, unexpected and unique structural rearrangements, including the formation of embedded heptagons, were observed. Despite the coexistence of different reaction pathways that hamper selective synthesis of a uniform structure, our results provide novel insights into on-surface reactions en route to functional, non-benzenoid carbon nanomaterials.
DOI: 10.24435/materialscloud:8h-b6
title: On-surface activation of benzylic C–H bonds for the synthesis of pentagon-fused graphene nanoribbons

description: In this record we provide data to support our recent findings related to the fabrication of pentagon-fused graphene nanoribbons. Graphene nanoribbons (GNRs) have potential for applications in electronic devices. A key issue, thereby, is the fine-tuning of their electronic characteristics, which can be achieved through subtle structural modifications. These are not limited to the conventional armchair, zigzag, and cove edges, but also possible through incorporation of non-hexagonal rings. On-surface synthesis enables the fabrication and visualization of GNRs with atomically precise chemical structures, but strategies for the incorporation of non-hexagonal rings have been underexplored. In the publication, we describe the on-surface synthesis of armchair-edged GNRs with incorporated five-membered rings through the C-H activation and cyclization of benzylic methyl groups. Ortho-Tolyl-substituted dibromobianthryl was employed as the precursor monomer, and visualization of the resulting structures after annealing at 300 °C on a gold surface by high-resolution noncontact atomic force microscopy clearly revealed the formation of methylene-bridged pentagons at the GNR edges. These persisted after annealing at 340 °C, along with a few fully conjugated pentagons having singly-hydrogenated apexes. The benzylic methyl groups could also migrate or cleave-off, resulting in defects lacking the five-membered rings. Moreover, unexpected and unique structural rearrangements, including the formation of embedded heptagons, were observed. Despite the coexistence of different reaction pathways that hamper selective synthesis of a uniform structure, our results provide novel insights into on-surface reactions en route to functional, non-benzenoid carbon nanomaterials.
DOI: 10.24435/materialscloud:ba-jz
title: Characterization of chemisorbed species and active adsorption sites in Mg-Al mixed metal oxides for high temperature CO2 capture

description: Mg-Al mixed metal oxides (MMOs), derived from the decomposition of layered double hydroxides (LDHs), have been purposed as a material for CO2 capture of industrial plant emissions. In order to aid in the design and optimization of these materials for CO2 capture at 200 °C, we have used the combination of solid-state nuclear magnetic resonance (ssNMR) and density functional theory (DFT) to characterize the CO2 gas sorption products and determine the various sorption sites in the Mg-Al MMOs. Comparison of DFT cluster calculations with 13C chemical shift of the chemisorbed products indicates that mono and bi-dentate carbonate are formed at the Mg-O site with an adjacent Al substitution of an Mg atom, while bicarbonate is formed at Mg-OH sites without adjacent Al substitution. Quantitative 13C NMR shows an increase in the relative amount of strongly basic sites, where the monodentate carbonate product is formed, with increasing Al mole % in the MMO. This detailed understanding of the various basic Mg-O sites presents in the MMO material, and the formation of the carbonate, bidentate carbonate and bicarbonate chemisorbed species yields new insight into the mechanism of CO2 adsorption at 200 °C which can further aid in the design and capture capacity optimization of the materials.
DOI: 10.48510/fk2/ernrnx
title: Effect of the use of 3D printed replicas on the surgical time of autotransplantation: a controlled clinical study

description: The research data file aims to investigate the effect of 3D-printed replicas on the surgical time of autotransplantation. The data set contains information on a non-randomized controlled clinical trial conducted from July 2019 to September 2022. The trial included 58 patients between thirteen and twenty-two years of age who required the extraction of a permanent premolar, first or second molar and had at least one non-erupted third molar. The data set includes demographic information and data on the developmental stage of the donor's tooth and donor-recipient tooth combination. The study protocol was published, and the Scientific Ethics Committee of the Riga Stradins University granted available at DOI 10.1186/ISRCTN1356309114 and ethical permission. The study was implemented according to the published protocol and reported following the CONSORT recommendations. The data is stored in CSV format and a codebook and readme file is included.
DOI: 10.5281/zenodo.13199373
title: DATASET Clinical and Radiographic Evaluation Data of Autotransplantation using 3D Replicas

description: This dataset repository contains detailed data and analysis scripts related to a research study on autotransplantation using 3D replicas. The study aims to evaluate clinical outcomes and radiographic changes over time in dental autotransplantation cases. The dataset includes CSV files containing clinical data, detailed radiographic evaluation results, and HTML files documenting analysis procedures and findings.
DOI: 10.5281/zenodo.13199374
title: DATASET Clinical and Radiographic Evaluation Data of Autotransplantation using 3D Replicas

description: This dataset repository contains detailed data and analysis scripts related to a research study on autotransplantation using 3D replicas. The study aims to evaluate clinical outcomes and radiographic changes over time in dental autotransplantation cases. The dataset includes CSV files containing clinical data, detailed radiographic evaluation results, and HTML files documenting analysis procedures and findings.
DOI: 10.5281/zenodo.13208598
title: DATASET Clinical and Radiographic Evaluation Data of Autotransplantation using 3D Replicas

description: This dataset repository contains detailed data and analysis scripts related to a research study on autotransplantation using 3D replicas. The study aims to evaluate clinical outcomes and radiographic changes over time in dental autotransplantation cases. The dataset includes CSV files containing clinical data, detailed radiographic evaluation results, and HTML files documenting analysis procedures and findings.
DOI: 10.6084/m9.figshare.26491003
title: Altered precipitation affects soil enzyme activity related to nitrogen and phosphorous but not carbon cycling_A meta-analysis.xlsx

description: This is dataset for supporting our meta-analysis on the effects of precipitation changes on soil enzyme activities.
DOI: 10.15468/dl.7g9qf6
title: Occurrence Download

description: A dataset containing 271 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-21.71068 2.70110,119.71068 2.70110,119.71068 59.29890,-21.71068 59.29890,-21.71068 2.70110))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Echiochilon fruticosum Desf."
 ]
}

 The dataset includes 271 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047330-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13208396
title: Imaging mass cytometry (IMC) MCD files for multiple lung cancers
DOI: 10.5281/zenodo.13208397
title: Imaging mass cytometry (IMC) MCD files for multiple lung cancers
DOI: 10.17909/awd4-de67
title: galaxies-3024763
DOI: 10.15468/dl.9hmtzt
title: Occurrence Download

description: A dataset containing 23 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((23.47571 -3.01282,53.52429 -3.01282,53.52429 9.01282,23.47571 9.01282,23.47571 -3.01282))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Echiochilon lithospermoides (S.Moore) I.M.Johnst."
 ]
}

 The dataset includes 23 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047331-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fekd84
title: Occurrence Download

description: A dataset containing 1748791 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Accipiter striatus Vieillot, 1808"
 ]
}

 The dataset includes 1748791 records from 211 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047326-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gap5ra
title: Occurrence Download

description: A dataset containing 4830 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Echium candicans L.fil."
 ]
}

 The dataset includes 4830 records from 70 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047332-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4h7deu
title: Occurrence Download

description: A dataset containing 875810 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Accipiter gentilis (Linnaeus, 1758)"
 ]
}

 The dataset includes 875810 records from 1337 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047322-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qokc9n
title: Occurrence Download

description: A dataset containing 487 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lemur catta Linnaeus, 1758"
 ]
}

 The dataset includes 487 records from 54 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004595-150316153013904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dn6xvj
title: Occurrence Download

description: A dataset containing 601849 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-62.80284 12.06192,-66.07668 8.25063,-62.72299 5.03887,-59.00996 4.8002,-57.01372 8.40865,-61.96441 10.7705,-62.80284 12.06192))",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 601849 records from 674 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140806-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xibnw8
title: Occurrence Download

description: A dataset containing 3417 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Castor canadensis Kuhl, 1820",
 "HasGeospatialIssue is false",
 "HasCoordinate is true"
 ]
}

 The dataset includes 3417 records from 56 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004595-150922153815467/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5vh34a
title: Occurrence Download

description: A dataset containing 31 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Machine Observation",
 "Continent is South America",
 "Country is Colombia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Orchidaceae"
 ]
}

 The dataset includes 31 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140808-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8df0r5
title: Occurrence Download

description: A dataset containing 24518 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lynx rufus (Schreber, 1777)"
 ]
}

 The dataset includes 24518 records from 103 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004595-151016162008034/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.duy3az
title: Occurrence Download

description: A dataset containing 154833 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is The Scottish Squirrel Database"
 ]
}

 The dataset includes 154833 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140800-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zhwldh
title: Occurrence Download

description: A dataset containing 15 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Helietta plaeana Tul.",
 "HasGeospatialIssue is false",
 "HasCoordinate is true"
 ]
}

 The dataset includes 15 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004595-160311141623029/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qfb7ne
title: Occurrence Download

description: A dataset containing 4786 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sceloporus spinosus Wiegmann, 1828"
 ]
}

 The dataset includes 4786 records from 77 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140829-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ppqj9m
title: Occurrence Download

description: A dataset containing 121 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Plantae",
 "Geometry POLYGON((-102.61 20.91,-102.61 21.16,-102.18 21.16,-102.18 20.91,-102.61 20.91))",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 121 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004595-160526112335914/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vjn5xp
title: Occurrence Download

description: A dataset containing 57 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Passiflora stipulata Aubl."
 ]
}

 The dataset includes 57 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140805-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jminfz
title: Occurrence Download

description: A dataset containing 349210 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Branta canadensis (Linnaeus, 1758)",
 "Country is Sweden",
 "HasGeospatialIssue is false",
 "HasCoordinate is true"
 ]
}

 The dataset includes 349210 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004595-160623103540712/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vnwrd6
title: Occurrence Download

description: A dataset containing 121 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "TaxonKey is Passiflora subpeltata Ortega"
 ]
}

 The dataset includes 121 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140816-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.