cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1028463919
title: Unreveilling the correlation between phase transformation and capacity fading in commercial high voltage pouch cells through high resolution

description: High voltage LNO are the most promising candidates for commercialization, due to their high mass-specific energy density, high operating voltages and initial high capacity. However, during delithiation at high voltage, these materials presents phase reactions involving large volume changes, which cause cracks and capacity fade. O2 release from the material surfaces and a substantial loss of energy density whilst also reduces the order of the structure. To elucidate the degradative pathways occurring during the first few cycles of high voltage LNO electrodes, we propose in situ and operando X-ray diffraction commercial pouch cells to correlate the lattice distortion and phase transformation to the state-of-charge of the battery. Due to the rectangular geometry of commercial pouch cells, we will perform spatially resolve X-ray diffraction while cycling, using a multi-channel collimator, which allows to selected gauge volume and to perform high resolution X-ray diffraction analysis.
DOI: 10.15151/esrf-es-1028464908
title: Structural transition in liquid iron around the triple point

description: Occurrence of solid/solid phase transitions often affects the melting line and the properties of the corresponding liquid. In the case of Fe, the fcc-hcp-liquid triple point, around 100 GPa and 3500 K, is related to a change in the slope of the melting curve. This argues for possible changes in the physical properties of liquid Fe. Data collected in a previous XRD experiment intriguingly suggest a change in the compressibility of liquid Fe around the triple point. In order to confirm these preliminary observations, and relate this macroscopic behaviour to possible changes in the local atomic arrangement from a fcc-like to an hcp-like structure, we would need further data, in particular at P-T conditions above 100 GPa. We propose to probe the X-ray diffuse scattering signal of liquid Fe as a function of pressure above the triple point, so to confirm changes in the compressibility and further investigate the possibility of this to be due to modification of the local structure.
DOI: 10.15151/esrf-es-1028465579
title: A XAS study of Arsenic speciation at the Carletti Spring System (Viterbo, Italy)

description: The present study aims at unravelling arsenic (As) speciation in the total suspended particulate (TSP) occurring at the Carletti spring system (CSS), part of the larger Bullicame (Viterbo, Central Italy) system, by means of XAS spectroscopy. Here, As occurs as a geogenic anomaly, and its mobility is affected by inorganic and microbiological processes which can differentiate its speciation and mobility. The determination of As speciation in the TSP, highly diluted samples, is essential to validate the models on the fate of As in this “natural laboratory”.
DOI: 10.15151/esrf-es-1028467286
title: μ-XRD-CT studies of low-temperature water-gas shift catalysts during activation and reaction: Effect of catalyst and gas composition on the

description: The aim of this investigation is to determine how operando conditions of Cu and Cs loadings will impact Low Temperature-Water Gas Shift (LT-WGS) catalysts. In particular, we wish to determine whether particle sintering and decomposition occurs during the activation (reduction) or the WGS process, and wish to find the effect the height of the bed has. The effect of H2/H2O partial pressure and Cs will be investigated alongside this. To perform this, a 1D line-scan XRD measurement along the height of the bed (resulting in a 2D study) as a function of time will be performed. At the beginning and end of the experiments μ-XRD-CT cross sections will be acquired to probe radial composition uniformity with a spatial resolution of ~ 20 μm.
DOI: 10.15151/esrf-es-1028467717
title: Low-energy excitations in the rattling Kondo compound CeBa7Au6Si40

description: The intermetallic type-I clathrate CeBa7Au6Si40 exhibits unusual properties, in particular a strongly enhanced thermopower compared to its Ce-free counterpart. This has been attributed to the compound’s Kondo temperature being boosted by the thermal population of “rattling” phonon modes. Here we intend to scrutinize this picture using temperature dependent RIXS at the Ce M5 edge
DOI: 10.15151/esrf-es-1034843917
title: Bridging the gap between cellular and whole body imaging using Hierarchical Phase-Contrast Tomography: HiP-CT

description: Humans and other large organisms are three-dimensional multiscale biological systems where large scale function and structure are dependent on the macrostructure’s interconnectivity down to the cellular and subcellular level. Using the exceptional coherence provided by the ESRF-EBS, we have demonstrated that propagation-based phase-contrast can effectively decouple resolution from specimen size in soft tissue, obtaining 1.4 micron voxel resolution in 150 mm diameter human organs. Through this Long Term Proposal (LTP) we will develop the techniques required to image whole human and animal bodies ex vivo at 25 micron resolution, zooming to sub-micron voxels (0.7micron) locally, resolving sub-cellular structures through hard- and soft-tissue. Resolving how the micro (sub-cellular) interacts with the macro (whole organism) across length scales will provide all new insights into biological and biomedical function. This is true for both healthy and pathological system level behaviour.
DOI: 10.15151/esrf-es-1036560709
title: Dielectric material, KTN, under electric field measured by diffuse x-ray scattering

description: We propose to study dielectric materials with an in-situ methodology that will use an applied voltage measuring diffuse scattering. In particular, our idea is to study an important material for technologic purpose as potassium tantalite niobite, a perovskite ferroelectrics KTaxNb1-xO3 (KTN), and measure the difference in the diffuse scattering with and without an electric field.
DOI: 10.15151/esrf-es-1042671535
title: High pressure EXAFS study on FeTiO3

description: We will investigate the local atomic changes across the pressure-induced phase transition in FeTiO3 from EXAFS.
DOI: 10.15151/esrf-es-1028113854
title: Study of the effect of Mn on PtMn/C catalyst in aqueous phase reforming of ethylene glycol

description: This study aims to investigate the surface structure of bimetallic catalysts supported on carbon nanofibers (CNF) during aqueous phase reforming (APR) of ethylene glycol (EG) and their structural evolution induced with time on stream. The hydrothermal conditions during APR lead to changes in metal oxidation state, re-dispersion and dealloying of the catalyst nanoparticles. Thus, operando XAS and XRD studies will be conducted to determine the local environment, dispersion and metal phase of Pt and Mn in samples prepared by different synthesis methods. The experiments are expected to give insight into the catalyst changes during the reaction, which may lead to deactivation. It will provide crucial information used in the rational design of APR catalysts to improve the catalyst activity, selectivity, and stability.
DOI: 10.15151/esrf-es-1027423577
title: Quantification of the effects of Microbeam Radiation Therapy on tumor tissue and vascular network on healthy vs tumour-bearing rat brains by

description: In this experiment, we aim at using X-ray phase-contrast micro-CT (XPCI-CT) for post-mortem imaging of healthy and glioblastoma-bearing brains after in-vivo treatment with synchrotron generated X-ray standard broad beams or Microbeam Radiation Therapy (MRT). The goal is to continue a study started before the ESRF-EBS shutdown and achieve the necessary statistical significance for the validation of the results obtained in the first experiments on both healthy and glioblastoma-bearing rats. Results showed, with a high level of details, the effects of the MRT treatment on the nervous and vasculature tissues at the animals’ end of life (i.e. late-term radiotherapy effects). Furthermore, the quantitative assessment of tumour growth or regression was also possible on XPCI-CT images, but results show unclear behaviours due to inter-individual variability within a group that can be cleared up only by increasing the study statistics.
DOI: 10.6084/m9.figshare.22083959.v3
title: Interregional transfers of food-system greenhouse gas emissions (GHG) along with the trade network among provinces.xlsx

description: Food systems are responsible for a third of global anthropogenic greenhouse gas (GHG) emissions and there has been an increasing research focus on food-system GHGs. However, limited attention has been paid to emissions from the supply chains and the regional trade network associated with food systems. This study developed a multi-regional input-output-based hybrid life cycle assessment model and traced China’s food-system GHG emissions (CO<sub>2</sub>, CH<sub>4</sub>, N<sub>2</sub>O, fluorinated gases (F-gases)) from production to consumption, including processing, transport and packaging. China’s food system emitted 2.4 (95 %; CI range: 1.6–3.2) Gt CO2-equivalent (CO<sub>2</sub>e) GHGs in 2019.
DOI: 10.5519/qd.54525u2q
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5281/zenodo.5665378
title: Data Sets for Article: Exploration on Learning Molecular Docking with Deep Learning Models

description: The MOL2 and CSV file of the clustered compounds from ChemDiv are available in <strong>Additional file 2</strong> Docking scores of training set1 and the following traing set2 for each target were saved as csv files and provided in <strong>Additional file 3.</strong> The SMILES, MOL2, SDF of DUD-E compounds and PDB of receptors used for validation are provided in <strong>Additional file 4</strong>. The SMILES of 500,000 compounds randomly selected from the ChEMBL database are provided in <strong>Additional file 5</strong> The SMILES of compounds with activities from the ChEMBL database for each target are provided in <strong>Additional file 6</strong>
DOI: 10.5281/zenodo.5665377
title: Data Sets for Article: Exploration on Learning Molecular Docking with Deep Learning Models

description: The MOL2 and CSV file of the clustered compounds from ChemDiv are available in <strong>Additional file 2</strong> Docking scores of training set1 and the following traing set2 for each target were saved as csv files and provided in <strong>Additional file 3.</strong> The SMILES, MOL2, SDF of DUD-E compounds and PDB of receptors used for validation are provided in <strong>Additional file 4</strong>. The SMILES of 500,000 compounds randomly selected from the ChEMBL database are provided in <strong>Additional file 5</strong> The SMILES of compounds with activities from the ChEMBL database for each target are provided in <strong>Additional file 6</strong>
DOI: 10.25919/m5bk-x098
title: Plant-pollinator community data from Charlotte Pass using observations and pollen microscopy data - Emma Goodwin

description: This data set has flower-visitor observation and pollen microscopy data from insect pollinators collected in Charlotte Pass, Kosciuszko National Park (NSW, Australia). The data was collected by Emma Goodwin, who did a Honours thesis at University of New England studying alpine plant-pollinator networks. Data was collected during the summer of 2017-2018 for one month.
DOI: 10.25442/hku.21968348
title: Supporting data for “Attitudes, Coping, Online Expression, Help-Seeking, and Engagement in Open Discussion Regarding Suicide Among Hong Kong Youths: A Sequential Exploratory Mixed-Methods Study”

description: This dataset includes materials and raw/processed data for the thesis tilted "Attitudes, Coping, Online Expression, Help-Seeking, and Engagement in Open Discussion Regarding Suicide Among Hong Kong Youths: A Sequential Exploratory Mixed-Methods Study". <br> <br> <strong>Descriptions</strong> <strong>of files in the dataset:</strong> <br> <em>Folder 1: </em>Support data_supplement includes 1) data management plan (.docx) and 2) ethics approval (.pdf) for the project granted by IRB. <em>Folder 2: </em>Support data_qualitative dataset includes 1) interview transcripts (.docx) for focus group interviews 1-6 and individual interviews 1-12; 2) interview guide (.docx); and 3) codings and codebook generated for qualiatative data analyses (.nvp; run and performed in NVivo software). <em>Folder 3:</em> Support data_quantitative dataset includes 1) raw data collected via survey questionnaire with embedded documentation (.xlsx); 2) blank questionnaire survey (.docx) in Chinese version; 3) blank questionnaire survey (.docx) in English version; and 4) cleaned dataset generated for quantitative data analysis (.sav; run and performed in SPSS software).
DOI: 10.25442/hku.21968348.v1
title: Supporting data for “Attitudes, Coping, Online Expression, Help-Seeking, and Engagement in Open Discussion Regarding Suicide Among Hong Kong Youths: A Sequential Exploratory Mixed-Methods Study”

description: This dataset includes materials and raw/processed data for the thesis tilted "Attitudes, Coping, Online Expression, Help-Seeking, and Engagement in Open Discussion Regarding Suicide Among Hong Kong Youths: A Sequential Exploratory Mixed-Methods Study". <br> <br> <strong>Descriptions</strong> <strong>of files in the dataset:</strong> <br> <em>Folder 1: </em>Support data_supplement includes 1) data management plan (.docx) and 2) ethics approval (.pdf) for the project granted by IRB. <em>Folder 2: </em>Support data_qualitative dataset includes 1) interview transcripts (.docx) for focus group interviews 1-6 and individual interviews 1-12; 2) interview guide (.docx); and 3) codings and codebook generated for qualiatative data analyses (.nvp; run and performed in NVivo software). <em>Folder 3:</em> Support data_quantitative dataset includes 1) raw data collected via survey questionnaire with embedded documentation (.xlsx); 2) blank questionnaire survey (.docx) in Chinese version; 3) blank questionnaire survey (.docx) in English version; and 4) cleaned dataset generated for quantitative data analysis (.sav; run and performed in SPSS software).
DOI: 10.5281/zenodo.7634324
title: Simple dataset obtained as a Wikidata subset from 2022 dump using entity schema about taxon

description: The subset has been obtained using wdsub version 0.0.33 and the schema: <pre>PREFIX p: &lt;http://www.wikidata.org/prop/&gt; PREFIX ps: &lt;http://www.wikidata.org/prop/statement/&gt; PREFIX prov: &lt;http://www.w3.org/ns/prov#&gt; PREFIX wd: &lt;http://www.wikidata.org/entity/&gt; PREFIX wdt: &lt;http://www.wikidata.org/prop/direct/&gt; start = @&lt;taxon_by_wd_ontology&gt; OR @&lt;taxon_by_identifier&gt; &lt;taxon_by_wd_ontology&gt; { wdt:P31 [wd:Q16521] ; } &lt;taxon_by_identifier&gt; {wdt:P685 . +;} OR # NCBI taxonomy ID {wdt:P846 . +;} OR # GBIF taxon ID {wdt:P3151 . +;} OR # iNaturalist taxon ID {wdt:P3444 . +;} # eBird taxon ID</pre>
DOI: 10.5281/zenodo.7634323
title: Simple dataset obtained as a Wikidata subset from 2022 dump using entity schema about taxon

description: The subset has been obtained using wdsub version 0.0.33 and the schema: <pre>PREFIX p: &lt;http://www.wikidata.org/prop/&gt; PREFIX ps: &lt;http://www.wikidata.org/prop/statement/&gt; PREFIX prov: &lt;http://www.w3.org/ns/prov#&gt; PREFIX wd: &lt;http://www.wikidata.org/entity/&gt; PREFIX wdt: &lt;http://www.wikidata.org/prop/direct/&gt; start = @&lt;taxon_by_wd_ontology&gt; OR @&lt;taxon_by_identifier&gt; &lt;taxon_by_wd_ontology&gt; { wdt:P31 [wd:Q16521] ; } &lt;taxon_by_identifier&gt; {wdt:P685 . +;} OR # NCBI taxonomy ID {wdt:P846 . +;} OR # GBIF taxon ID {wdt:P3151 . +;} OR # iNaturalist taxon ID {wdt:P3444 . +;} # eBird taxon ID</pre>
DOI: 10.25442/hku.21988331
title: Supporting data for "Examining Pre-Service Teachers’ Social Justice Dispositions: The Case of an Undergraduate Teacher Education Programme in India."

description: This dataset contains data collected for the project: “Examining Pre-Service Teachers’ Social Justice Dispositions: The Case of an Undergraduate Teacher Education Programme in India.” This mixed methods study was conducted with pre-service teachers enrolled in the first year, fourth year, and graduates of a teacher education programme in Delhi, India. The data includes: a) pilot survey data (Likert scale questionnaire examining social justice dispositions of teachers with 153 pre-service teachers); b) main survey data that collected demographic information and responses to a modified Likert scale questionnaire examining social justice dispositions of teachers (N = 191); c) interview transcripts of in-depth interviews conducted with 21 pre-service teachers; d) programme documents collected including the curriculum handbook and individual participants’ documents such as assignments, lesson plans and reflective journals.
DOI: 10.25442/hku.21988331.v1
title: Supporting data for "Examining Pre-Service Teachers’ Social Justice Dispositions: The Case of an Undergraduate Teacher Education Programme in India."

description: This dataset contains data collected for the project: “Examining Pre-Service Teachers’ Social Justice Dispositions: The Case of an Undergraduate Teacher Education Programme in India.” This mixed methods study was conducted with pre-service teachers enrolled in the first year, fourth year, and graduates of a teacher education programme in Delhi, India. The data includes: a) pilot survey data (Likert scale questionnaire examining social justice dispositions of teachers with 153 pre-service teachers); b) main survey data that collected demographic information and responses to a modified Likert scale questionnaire examining social justice dispositions of teachers (N = 191); c) interview transcripts of in-depth interviews conducted with 21 pre-service teachers; d) programme documents collected including the curriculum handbook and individual participants’ documents such as assignments, lesson plans and reflective journals.
DOI: 10.5519/qd.pbhu87hz
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (2 records)
DOI: 10.5517/ccdc.csd.cc24pgr2
title: CCDC 1986844: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24pgs3
title: CCDC 1986845: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qswk
title: CCDC 1988119: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qsxl
title: CCDC 1988120: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qsym
title: CCDC 1988121: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qszn
title: CCDC 1988122: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qt0q
title: CCDC 1988123: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qt1r
title: CCDC 1988124: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qt2s
title: CCDC 1988125: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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: 10.5517/ccdc.csd.cc24qt3t
title: CCDC 1988126: Experimental Crystal Structure Determination

description: Related Article: Roman Gajda, Daniel Mariusz Tchoń, Anna Makal|2022|Cryst.Growth Des.|23|862|doi:10.1021/acs.cgd.2c01106
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.