cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2cxdzp
title: CCDC 2202053: Experimental Crystal Structure Determination

description: Related Article: Anant Kumar Jain, Michael R. Gau, Patrick J. Carroll, Karen I. Goldberg|2022|Organometallics|41|3341|doi:10.1021/acs.organomet.2c00302
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.26179/f1gf-0932
title: Heard and McDonald Island Management Maps 2022
DOI: 10.25835/blecbkwf
title: Evaluating SQuAD-based Question Answering for the Open Research Knowledge Graph Completion

description: This dataset is part of the bachelor thesis "Evaluating SQuAD-based Question Answering for the Open Research Knowledge Graph Completion". It was created for the finetuning of Bert Based models pre-trained on the SQUaD dataset. The Dataset was created using semi-automatic approach on the ORKG data. The dataset.csv file contains the entire data (all properties) in a tabular for and is unsplit. The json files contain only the necessary fields for training and evaluation, with additional fields (index of start and end of the answers in the abstracts). The data in the json files is split (training data) and evaluation data. We create 4 variants of the training and evaluation sets for each one of the question labels ("no label", "how", "what", "which") For detailed information on each of the fields in the dataset, refer to section 4.2 (Corpus) of the Thesis document that can be found in https://www.repo.uni-hannover.de/handle/123456789/12958. The script used to generate the dataset can be found in the public repository https://github.com/as18cia/thesis_work and https://gitlab.com/TIBHannover/orkg/nlp/experiments/orkg-fine-tuning-squad-based-models
DOI: 10.5281/zenodo.7344792
title: RCM_data

description: RCM data file
DOI: 10.5281/zenodo.7344793
title: RCM_data

description: RCM data file
DOI: 10.5281/zenodo.7397057
title: RCM_data

description: RCM data file
DOI: 10.6084/m9.figshare.21554817
title: BERTOS_dataset

description: This is the dataset for BERTOS.
DOI: 10.6084/m9.figshare.21554817.v2
title: BERTOS_dataset

description: This is the dataset for BERTOS.
DOI: 10.6084/m9.figshare.21554817.v1
title: BERTOS_dataset

description: This is the dataset for BERTOS.
DOI: 10.6084/m9.figshare.21652931
title: Cropland intensification mediates the radiative balance of greenhouse gas emissions and soil carbon sequestration in maize systems of sub-Saharan Africa

description: The depository provides data that supports the findings of the above titled manuscript. These data include field monitoring of soil-climatic factors, field measurements of greenhouse gas (CO2, CH4, and N2O) flux conducted in maize systems of east African highlands using the static chamber method, and the simulated output of cumulative SOC change under different cropland intensification practices. A list of reference is also included for the synthesis of changes in soil carbon stocks under investigated intensification practices. For details, please refer to the companion paper, which will be linked following manuscript publication. <br> # update: the manuscript has been released online: https://doi.org/10.1111/gcb.16550
DOI: 10.6084/m9.figshare.21652931.v1
title: Cropland intensification mediates the radiative balance of greenhouse gas emissions and soil carbon sequestration in maize systems of sub-Saharan Africa

description: The depository provides data that supports the findings of the above titled manuscript. These data include field monitoring of soil-climatic factors, field measurements of greenhouse gas (CO2, CH4, and N2O) flux conducted in maize systems of east African highlands using the static chamber method, and the simulated output of cumulative SOC change under different cropland intensification practices. A list of reference is also included for the synthesis of changes in soil carbon stocks under investigated intensification practices. For details, please refer to the companion paper, which will be linked following manuscript publication.
DOI: 10.5281/zenodo.7214227
title: Appendix of Empirical Study of Co-Renamed Identifiers

description: Empirical Study of Co-Renamed Identifiers Data
DOI: 10.6084/m9.figshare.21672644
title: Additional File 10 - Ant Tracking Raw Data

description: Raw tracking data for <em>Camponotus floridanus</em> trail following bioassay.
DOI: 10.6084/m9.figshare.21672644.v1
title: Additional File 10.xlsx

description: Raw tracking data for <em>Camponotus floridanus</em> trail following bioassay.
DOI: 10.6084/m9.figshare.21672644.v2
title: Additional File 10 - Ant Tracking Raw Data

description: Raw tracking data for <em>Camponotus floridanus</em> trail following bioassay.
DOI: 10.25919/18e5-w322
title: Puccinia triticina - data for seven Australian isolates

description: This collection comprises sequencing reads, assemblies and gene annotation for Australian Puccinia triticina isolates
DOI: 10.6084/m9.figshare.21673001
title: e-Delphi in the outdoors: Stakeholder contributions to the development of a wellbeing-focused outdoor adventure education intervention program_Round 2 survey data

description: Round 2 dataset for the Delphi study
DOI: 10.6084/m9.figshare.21673001.v1
title: e-Delphi in the outdoors: Stakeholder contributions to the development of a wellbeing-focused outdoor adventure education intervention program_Round 2 survey data

description: Round 2 dataset for the Delphi study
DOI: 10.6084/m9.figshare.21359466
title: Data and codes in MAT paper

description: The data and R code to draw figures in MAT paper
DOI: 10.21335/nmdc-1279886544
title: Hydrography and carbon from Station M (OWSM) 2020-2021

description: The dataset contains hydrography and pCO2 data from a single array mooring covering the depths between 500 m and 2000 m (bottom) at Station M (OWSM) in the Norwegian Sea, in the framework of the NorEMSO project. The mooring was deployed in August 2020 and retrieved in August 2021. Measurements frequency is 1/1 hr for the hydrography and 1/12 hr for the pCO2 measurements. At 800 m and 1200 m nominal depth, the pressure has been calculated based on distance between the SBE sensors. QC flags from EuroSITES (OceanSITES) are used for all data, where flag 0 is used for raw data (unknown, no QC was performed) and flag 2-4 are used for data that have been QD-ed. The CO2 sensor data (at 500 m nominal depth) are validated by comparing the values towards calculated pCO2 from discrete Dissolved Inorganic Carbon (DIC) and Total Alkalinity (TA).
DOI: 10.6084/m9.figshare.20522124.v1
title: Supplementary files for Genomic profiling reveals the variant landscape of sporadic parathyroid adenomas in Chinese population

description: <strong>Genomic profiling reveals the variant landscape of sporadic parathyroid adenomas in Chinese population</strong>
DOI: 10.5281/zenodo.7228320
title: Robust full-spectral color tuning of photonic colloids

description: <strong>Research Data supporting “</strong><strong>Robust full-spectral color tuning of photonic colloids</strong><strong>”</strong> Andrea Dodero, Kenza Djeghdi, Viola Bauernfeind, Martino Airoldi, Bodo D. Wilts, Christoph Weder, Ullrich Steiner, Ilja Gunkel <strong><em>Small</em></strong>, DOI: 10.1002/smll.202205438 The data are arranged into different folders, containing the following files (.txt, .tif, .xlxs, etc). These data should be read in conjunction with the manuscript and “Supporting Info”, both of which may be found at the following DOI: 10.1002/smll.202205438
DOI: 10.5281/zenodo.7228319
title: Robust full-spectral color tuning of photonic colloids

description: <strong>Research Data supporting “</strong><strong>Robust full-spectral color tuning of photonic colloids</strong><strong>”</strong> Andrea Dodero, Kenza Djeghdi, Viola Bauernfeind, Martino Airoldi, Bodo D. Wilts, Christoph Weder, Ullrich Steiner, Ilja Gunkel <strong><em>Small</em></strong>, DOI: 10.1002/smll.202205438 The data are arranged into different folders, containing the following files (.txt, .tif, .xlxs, etc). These data should be read in conjunction with the manuscript and “Supporting Info”, both of which may be found at the following DOI: 10.1002/smll.202205438
DOI: 10.57745/lv1bxm
title: complementary_analyses.html

description: :unav
DOI: 10.57745/prjtmf
title: real_samples.html

description: :unav
DOI: 10.6084/m9.figshare.11338880
title: Identifying translational science through embeddings of controlled vocabularies

description: Each row corresponds to a PubMed paper and has two columns: PubMed ID and its "level score" as calculated in the paper. <br> V3 covers papers published until 2020.
DOI: 10.6084/m9.figshare.11338880.v2
title: Identifying translational science through embeddings of controlled vocabularies

description: Each row corresponds to a PubMed paper and has two columns: PubMed ID and its "level score" as calculated in the paper.
DOI: 10.15151/esrf-es-906900869
title: Multi-scale Multi-techniques investigations of Li-ion batteries: towards a European Battery Hub

description: In this science-driven Long-Term proposal, we propose a 3-years multi-beamline program tackling grand challenges for actual, emerging and future battery technologies. We will deploy advanced methodologies for accelerating research by setting new cooperation modes for multi-techniques multi-scale studies. Three chemistry-neutral scientific cases have been identified to fulfil this LTP: bulk-to-surface mechanisms, high energy system and smart sensing. Multiple, time-coordinated, interoperable spectroscopic, imaging & scattering techniques will be implemented. This proposal is the Pilot Phase towards a European Battery Hub aiming at accelerating workflows in battery research by optimizing the exceptional diversity of means available at ESRF. We expect to demonstrate the added value of a new “proposal” mechanism, e.g. science-driven beamtime allocation group, serving the fast growing, highly competitive and rapidly evolving European battery community.
DOI: 10.15151/esrf-es-937817904
title: In situ powder X‐ray diffraction investigations of solvent effects on the mechanochemical synthesis of pharmaceutical cocrystals.

description: Mechanochemistry is now regularly used to prepare multi-component molecular crystals for drug development and other applications. Mechanochemcial reactions enable cocrystal formation under mild conditions and in quantitative yields, while some cocrystals are only accessible through milling. However, we recently found that some solvents have a detrimental effect on the formation of cocrystals, or even lead to the decomposition of thermodynamically stable cocrystals into physical mixtures of their constituents. The mechanisms through which these reaction inhibitions and cocrystal decompositions occur remain entirely unknown, despite our recent efforts to understand them using ex situ crystallographic analyses. We therefore trust that only in situ and time-resolved X-ray powder diffraction studies of the mechanochemical cocrystallisation reactions can elucidate the unknown decomposition pathways, which may involve the formation and breakdown of intermediate crystal forms.
DOI: 10.15151/esrf-es-970991476
title: Influence of antibody type, temperature and additives on the viscosity of monoclonal antibody therapeutics

description: The most important factor limiting the injectability of therapeutic monoclonal antibody (mAb) solutions is their high viscosity at the high mAb concentrations required. To overcome this problem, different addditives can be used to modify the interactions determining the phase behavior and the viscosity of mAb therapeutics. Examples include the sugar trehalose as well as the amino acids arginine and proline. Here, we aim at a systematic characterization of the molecular mechanisms of these additives on a set of different proprietary mAb samples provided by Lonza AG (Basel, CH) using SAXS to probe the formation of oligomers which result from a delicate balance of molecular interactions. Thus, SAXS will provide crucial information complementing successful rheology, DLS and neutron spectroscopy experiments (ILL) on mAb solutions in the context of the InnovaXN PhD project of Ilaria Mosca.
DOI: 10.15151/esrf-es-970993462
title: In-situ investigation of the phase behavior of binary iron germanide FeGe in the temperature range 500-800 °C

description: The proposed project is a part of our systematic investigations of binary systems containing transtition metal and main group element, including crystal structure determination, phase transitions study, physical properties measurements, chemical bonding calculations. The results obtained at ESRF and specially at ID22 contributed successfully to these studies (e.g. proposals HS4271, HS4823, HC3349). The aim of the present proposal is in-situ investigation of phase and structural behaviour of FeGe in the temperature range 500850 C in order to understand the mechanism of the structural transition in this system. The preliminary investigations gave us indications that the existence ranges, phase transition behavior and peculiarities of the crystal structures of three modifications of FeGe deviate from those reported in the literature
DOI: 10.15151/esrf-es-970100443
title: Combined study of the morphology and composition of historical cobalt green pigment: toward a deeper understanding of the pigment synthesis

description: The synthesis of cobalt green pigments ((Zn1-x–Cox)O) from the 19th century remains unstudied. However, it resulted in pigments with various Co/Zn ratios, that ultimately influenced their optical properties. A multi-technique investigation coupling XRF-CT and scanning 3DXRD is proposed to provide high resolution data on the morphology and composition of historical pigment samples to better understand their synthesis history and its effect on the final optical properties of the pigment particle. More specifically, the enrichment of cobalt inside of the pigment particles can reach very low dimensions or densities, yet have major effect on its visual appearance. Only the high resolution of XRF-CT and s3DXRD make possible to detail the powder heterogeneous composition at the sub-millimetric scale.
DOI: 10.15151/esrf-es-970102316
title: Crystal chemistry of Te in arsenian pyrite: Economic and environmental implications

description: Tellurium is important for a number of emeriging green energy technologies, including photovoltaic power, but a severe Te shortage is predicted for the future. The expected results of this proposal will help to better define the ore-forming processes of high-grade Te ores and to develop extraction methods of Te from pyrite to secure its future supply for the green transition. For this purpose natural and synthetic As-bearing (arsenian) pyrite with variable Te contents will be investigated by µ-XANES at the Te LIII edge to study the yet unknown crystallographic position and oxidation state of Te in pyrite.
DOI: 10.15151/esrf-es-970104170
title: Molecular-to-Atomic Transition in Solid Oxygen

description: Oxygen is a unique element, with the only known molecular magnet and with very small compact valence orbitals allowing the short double chemical bond in the oxygen molecule. Remarkably, oxygen exhibits a richer phase diagram than other diatomic molecular systems. To date, the structural investigation of oxygen under pressure has been limited to 133 GPa and the structural characterization of the metallic transition about 100 GPa has been disclosed by single-crystal X-ray microdiffraction. The structural evolution of metallic phase of solid oxygen and the possibility of inducing a molecular dissociation in the solid state remain totally unknown. With this proposal, we will explore to pressures exceeding 300 GPa, by single crystal X-ray microdiffraction, the phase stability of the metallic phase and uncover other possible phases and crystalline structures of very dense solid oxygen.
DOI: 10.15151/esrf-es-1018311390
title: X-ray diffraction studies of cobalt based Fischer-Tropsch catalysts

description: This proposal aims to study the cobalt phase change using x-ray diffraction. It will help us deepen the understanding of the cobalt based catalysts reduction mechanisms in FTS.
DOI: 10.15151/esrf-es-969291466
title: Imaging dynamics of plastic relaxation of InGaN films under thermal annealing.

description: (In,Ga)N alloy is a key material system for applications in optoelectronics and photovoltaics. Despite more than 20 years of research, a remaining central problem is the achievable In concentration in films grown with a high structural quality on GaN. One approach towards higher In concentrations is to reduce the lattice mismatch via growth on plastically relaxed InGaN buffers. In this project, we plan to study the dynamics of plastic relaxation in InGaN buffers by in-situ X-ray diffraction microscopy during annealing. This way, we aim to understand the peculiar dislocation patterns occurring in relaxed InGaN on GaN.
DOI: 10.15151/esrf-es-969291477
title: Investigation of the formation of supported High Entropy Alloy nanoparticles prepared by incipient wetness impregnation

description: Using combined in situ XRD and XANES experiments, we aim to follow the formation of supported High Entropy Alloy (HEA) nanoparticles, which have immense potential as catalyst materials. Supported metal nanoparticles for industrial applications are largely prepared by incipient wetness impregnation. Our preliminary results show that the formation of multi-metallic alloys via incipient wetness impregnation is possible. There is - in general - very limited knowledge on alloy formation mechanisms via incipient wetness impregnation, aside from a single study on Cu-Ni alloys. With this proposal, we aim to obtain a mechanistic understanding on the alloy formation pathways in multi-metallic systems towards high entropy alloys by this industrially extremely relevant synthesis approach.
DOI: 10.15151/esrf-es-969292458
title: Improving chemotherapy by releasing platinum agents from endolysosomes

description: Chemotherapeutics remain widely used for the treatment of cancer, and the majority act by causing DNA damage in cancer cells. Many of these are hydrophobic and are taken up by cancer cells through a process called endocytosis. However, such chemotherapeutics may be limited as they are retained in the lysosomes and fail to reach the DNA in the nucleus. Widely-used chemotherapeutics such as bleomycin and gemcitabine are well-known to suffer from this limitation. Other chemotherapeutics such as oxaliplatin are suspected to be similarly limited, yet concrete evidence is lacking. The aim of this proposal is to (1) confirm that oxaliplatin localizes within the endo-lysosomes in cancer cells, and (2) that oxaliplatin can be released by selective destruction of the lysosomes.
DOI: 10.15151/esrf-es-1011982982
title: The role of light rare earth elements for tuning magnetic phase transition and saturation magnetisation

description: The role of light rare earth elements for tuning magnetic phase transition and saturation magnetisation
DOI: 10.15151/esrf-es-968507817
title: Strain relaxation through microcracking in zirconia polycrystals probed by in situ high temperature coupled Small Angle X-ray Scattering and

description: We shown that during cooling a significant part of the tetragonal zirconia crystals located into a dense zirconia polycrystals are transform to the monoclinic form in a very narrow temperature range. The aim of the present proposal is to demonstrate through in situ high temperature Small Angle X-ray Scattering (SAXS) and X-ray diffraction coupled measurements that this behavior is due to the formation of a dense nanocracks network
DOI: 10.15151/esrf-es-968510578
title: Investigation of the photoactivation mechanism of Fe3(CO)12 using time-resolved x-ray solution scattering

description: Trimetallic carbonyl clusters (M3(CO)12) containing group 8 elements such as iron, ruthenium and osmium are historic molecules in the field of organometallic photochemistry and are known as efficient photocatalysts. While the excited-state behavior M3(CO)12 has been intensively studied with several spectroscopic tools, considering the lack of sensitivity of the spectroscopic methods to the global molecular structure, we believe that the assignments, especially the structural identities of reaction intermediates, reported from previous studies should be further supported by additional experimental evidence obtained with a direct structural probe. Here, we aim to investigate the structural dynamics of the photoreaction of Fe3(CO)12 using time-resolved x-ray liquidography (TRXL), which is directly sensitive to the molecular structure. By doing so, we seek to verify whether the assignments of the reaction pathways reported from the previous literature are valid.
DOI: 10.15151/esrf-es-968515280
title: Chemistry of iron in contact with liquid metallic hydrogen and carbon at extreme conditions

description: We will exploit the new High Power Laser Facility (HPLF) at ID-24 to determine the chemical reactivity of iron with hydrogen and/or carbon at extreme pressure and temperature conditions on nanosecond timescale. Using a laser-driven dynamic compression approach, we will compress Fe-doped polystyrene samples, reaching conditions where carbon and hydrogen separate (~150 GPa, 5000 K). The element-specific XANES probe will then record how the iron nanoparticles react with either (presumably metallic) H and/or insulating C. This experiment, which is currently only possible at ESRF, will be a door-opener to access element-specific chemistry in dynamic compression experiments. If successful, our proof-of-principle study will enable various follow-up experiments with science cases ranging from geophysics, giant impacts and properties of exoplanets to dynamic synthesis of room-temperature superconductors.
DOI: 10.15151/esrf-es-1014753826
title: High-pressure behaviour of tincalcolite and hydroboracite

description: Tincalcolite (ideally (Na2B4O7•5H2O) and hydroboracite (ideally CaMgB6O8(OH)6 • 3 H2O) are two common species of hydrated borates found mainly in evaporitic sequences. Today, hydrated borates are the most valuable source of boron, a critical element for a number of industrial processes. Studying the behaviour at non-ambient conditions of hydrated borates is believed to be critical in order to better understand their thermodynamic properties and ultimately select the best candidate as aggregates in neutron-shielding concretes or Sorel cement.
DOI: 10.15151/esrf-es-992881230
title: 3D Strain and Orientation Mapping of Precipitation-Hardened Aluminum Alloys

description: Precipitation hardening is one of the main strengthening mechanisms for aluminum-based alloys, especially for aerospace applications. In this experiment, we are going to measure the effect of solution heat treatment on the strain state of Al 2xxx series.
DOI: 10.5281/zenodo.7240679
title: Supplementary Dataset for "Synthetic Witherite for Standardization of Clumped Isotope (Delta 47) Analyses"

description: This supplementary dataset contains raw clumped isotopic data used to generate figures in the article "Synthetic Witherite for Standardization of Clumped Isotope (Delta 47) Analyses" by Kong et al.
DOI: 10.5281/zenodo.7397550
title: Supplementary Dataset for "Synthetic Witherite for Standardization of Clumped Isotope (Delta 47) Analyses"

description: This supplementary dataset contains raw clumped isotopic data used to generate figures in the article "Synthetic Witherite for Standardization of Clumped Isotope (Delta 47) Analyses" by Kong et al.
DOI: 10.5281/zenodo.7240680
title: Supplementary Dataset for "Barium Carbonate Reference Materials for Clumped Isotope (Delta 47) Analyses"

description: This supplementary dataset contains raw clumped isotopic data used to generate figures in the article "Barium Carbonate Reference Materials for Clumped Isotope (Delta 47) Analyses" by Kong et al.