cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1910578-1
title: SANS studies of the micellar structures of mixtures of lauroyl-L-carnitine and palmitoyl-L-carnitine in water under different ratios

description: As a new group of synthetic biosurfactants, the acyl-L-carnitines offer potential for different applications including working as edible biocides. Whilst extensive studies have examined their biological functions, there is little work to look at their physical properties which crucially underpin their membrane lytic actions against different microorganisms. In the past decade, there is a rise in diseases caused by bacterial infections. As a result, there is a high demand for antibacterial agents which can kill bacteria effectively whilst remaining biocompatible to the hosts. The aim of this project is to examine how this group of new surfactants aggregate in aqueous solutions under different pH and ionic strength.
DOI: 10.5286/isis.e.rb1820194
title: High H- ionic conductivity in barium hydride: the case for neutron Compton scattering.

description: We propose to employ the NCS in the mass-selective mode to search for microscopic origins of high H- ionic conductivity in barium hydride and deuteride. This will allow us to assess the role of the nuclear quantum effects in the conductance mechanism proposed in the literature, as well as the possible magnitude and anisotropy of the H/D isotope effect. We propose to tap onto the full potential of the Vesuvio beamline by concurrently measuring  Compton recoil peaks of H/D  and Be, neutron transmission and diffraction, as well as, neutron-gamma resonances across the Orthorhombic (P n m a) → hexagonal (P 63 / m m c) phase transition at  500C:
DOI: 10.5286/isis.e.rb1900103
title: Investigation of superconducting ground state of  the first Fe-based silicide superconductor LaFeSiH: A MuSR study

description: HTSC in the iron-based superconductors (Fe-SC) is one of the most active and challenging topics. Very recently some of us (F. Bernardini et al.) have reported SC in novel silicide LaFeSiH at Tc = 11 K. LaFeSiH is the first Fe-SC in without toxic elements. DFT calculations have revealed that the SC properties of this novel material are unconventional and cannot be explained by the electron-phonon mechanism in conventional BCS theory. Given the importance of understanding the similarities and differences in the pairing mechanism with other known Fe-based SC, we propose to use muon measurements on LaFeSiH to understand its unconventional SC. Since other musr facilities all over the world will also investigate LaFeSiH using their musr measurements, we therefore submit this proposal as a Rapid Access proposal to carry out the experiment as soon as possible for a fast high-impact publication.
DOI: 10.5286/isis.e.rb1900103-1
title: Investigation of superconducting ground state of  the first Fe-based silicide superconductor LaFeSiH: A MuSR study

description: HTSC in the iron-based superconductors (Fe-SC) is one of the most active and challenging topics. Very recently some of us (F. Bernardini et al.) have reported SC in novel silicide LaFeSiH at Tc = 11 K. LaFeSiH is the first Fe-SC in without toxic elements. DFT calculations have revealed that the SC properties of this novel material are unconventional and cannot be explained by the electron-phonon mechanism in conventional BCS theory. Given the importance of understanding the similarities and differences in the pairing mechanism with other known Fe-based SC, we propose to use muon measurements on LaFeSiH to understand its unconventional SC. Since other musr facilities all over the world will also investigate LaFeSiH using their musr measurements, we therefore submit this proposal as a Rapid Access proposal to carry out the experiment as soon as possible for a fast high-impact publication.
DOI: 10.5286/isis.e.rb1900127-1
title: Dynamics Of New Photovoltaic Hybrid Perovskite Stabilized in Cubic Symmetry

description: Hybrid perovskites, composed of an organic cation, inside a post transition metal halide framework, have emerged since 2009 as simple, low cost solar cell materials, with power conversion efficiencies that are competitive with silicon. The commercial viability of perovskite solar cells is yet to be proven with stability being the major limiting factor. These hybrid perovskites are highly sensitive to environmental conditions and quickly degrade under the mildest of thermal treatment. We have isolated a series of new hybrid perovskite with unprecedented chemical and thermal stability. We propose to use neutron scattering to measure critical parameters within these new systems to understand their properties better. This will greatly progress our plans for commercialisation into a new generation of solar materials.
DOI: 10.5286/isis.e.rb1910532
title: Aggregation behaviour of PEGylated ibuprofen

description: In the present study the acidic, anti-inflammatory drug, ibuprofen has been PEGylated using an polyoxyethylene chain of 750 molecular weight. The consequence of this PEGylation is the preparation of an amphiphilic, unionized version of the drug. The aim of the study is to determine the aggregation behavior of the molecule in aqueous solution using small angle neutron scattering in combination with contrast variation. The ultimate goal of the project is the preparation of a version of ibuprofen that can be administered safely in the form of a self-assembled micelle in which ibuprofen acts as its own delivery vehicle.
DOI: 10.5286/isis.e.rb1910532-1
title: Aggregation behaviour of PEGylated ibuprofen

description: In the present study the acidic, anti-inflammatory drug, ibuprofen has been PEGylated using an polyoxyethylene chain of 750 molecular weight. The consequence of this PEGylation is the preparation of an amphiphilic, unionized version of the drug. The aim of the study is to determine the aggregation behavior of the molecule in aqueous solution using small angle neutron scattering in combination with contrast variation. The ultimate goal of the project is the preparation of a version of ibuprofen that can be administered safely in the form of a self-assembled micelle in which ibuprofen acts as its own delivery vehicle.
DOI: 10.5286/isis.e.rb1910599
title: Debasement of Roman Silver coinage (II)

description: The quality of ancient silver coinage is often seen as a comment on the fiscal health of the issuing states. This is nowhere more apparent than with Roman coinages, which witnessed heavy debasements during the first three centuries of our era. Two processes are detectable: a reduction in the fineness of the alloys; and a reduction in weight standards. However, the hypothesis here is that the two processes are interlinked, and that the second is largely an illusion caused by the first.One of the most reliable techniques for doing this is to sample by drilling into the cylindrical edge of the coin, discarding the first millimetre or so of turnings and retaining the sample from deeper within. However, for small, or thin coins, such an approach is not possible. Negative muons offer the possibility of a non-destructive multi-elemental analysis
DOI: 10.5286/isis.e.rb1910599-1
title: Debasement of Roman Silver coinage (II)

description: The quality of ancient silver coinage is often seen as a comment on the fiscal health of the issuing states. This is nowhere more apparent than with Roman coinages, which witnessed heavy debasements during the first three centuries of our era. Two processes are detectable: a reduction in the fineness of the alloys; and a reduction in weight standards. However, the hypothesis here is that the two processes are interlinked, and that the second is largely an illusion caused by the first.One of the most reliable techniques for doing this is to sample by drilling into the cylindrical edge of the coin, discarding the first millimetre or so of turnings and retaining the sample from deeper within. However, for small, or thin coins, such an approach is not possible. Negative muons offer the possibility of a non-destructive multi-elemental analysis
DOI: 10.13140/rg.2.2.28103.75686
title: Comparison of Lynch and Banjarmasin Local Expert's Landmark Theory Perception
DOI: 10.5281/zenodo.2625736
title: Dataset accompanying Riesch et al. 2019. Grazing by wild red deer: management options for the conservation of semi-natural open habitats. Journal of Applied Ecology

description: This repository contains vegetation biomass and forage quality data used by Riesch et al. in an article accepted in Journal of Applied Ecology.

Metadata are provided in the first excel worksheet ('explanation_overview'). For further details please see the original article.
description: The project was supported by funds of German government's Special Purpose Fund held at Landwirtschaftliche Rentenbank [28 RZ 7007].
DOI: 10.5286/isis.e.rb1820194-1
title: High H- ionic conductivity in barium hydride: the case for neutron Compton scattering.

description: We propose to employ the NCS in the mass-selective mode to search for microscopic origins of high H- ionic conductivity in barium hydride and deuteride. This will allow us to assess the role of the nuclear quantum effects in the conductance mechanism proposed in the literature, as well as the possible magnitude and anisotropy of the H/D isotope effect. We propose to tap onto the full potential of the Vesuvio beamline by concurrently measuring  Compton recoil peaks of H/D  and Be, neutron transmission and diffraction, as well as, neutron-gamma resonances across the Orthorhombic (P n m a) → hexagonal (P 63 / m m c) phase transition at  500C:
DOI: 10.13145/bacdive298.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive299.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive300.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.26304/362-u1480g-gra
title: Expedition 362 Hole U1480G Bulk density (GRA) data file

description: Bulk density (GRA) for Expedition 362 Hole U1480G
DOI: 10.5258/soton/d0681
title: Dataset for Stereoselective Synthesis of Mechanically Planar Chiral Rotaxanes

description: Raw data including NMR and CD spectra for:
Jinks, M. et al (2018). Stereoselective synthesis of mechanically planar chiral rotaxanes. Angewandte Chemie International Edition.
DOI: 10.5281/zenodo.2628328
title: Expertise-Driven Semi-Quantitative Analysis for Policy Evaluation tool

description: This dataset contains the underlying data for the following publication: <strong>A semi-quantitative modelling application for assessing energy efficiency strategies, Applied Soft Computing. </strong>
DOI: 10.5281/zenodo.2628329
title: Expertise-Driven Semi-Quantitative Analysis for Policy Evaluation tool

description: This dataset contains the underlying data for the following publication: <strong>A semi-quantitative modelling application for assessing energy efficiency strategies, Applied Soft Computing. </strong>
DOI: 10.13145/bacdive301.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive302.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive303.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.14469/hpc/5412
title: Haloamidines, NN cyclisation , SN2 displacement at N IRC

description: Gaussian Calculation
DOI: 10.5281/zenodo.2621414
title: Locator Lommel Datasets

description: These files contain the results of applying the techniques developed during the Locator project on datasets recorded at our Lommel site.

Raw measurement data including UWB ranges and channel diagnostics, encoder data, IMU data as well as vehicle and sensor fusion configuration can be made available on request.

Please contact Erik Hostens or Nathan Dwek.
DOI: 10.5281/zenodo.2621541
title: Frictionless Tabular Data Package for GC-MS Rose scent profile data for Data published in Nature genetics, June, 2018 & Science, July 2015

description: This dataset, in the form of a Frictionless Tabular Data Package (https://frictionlessdata.io/specs/tabular-data-package/), holds the measurements of 61 known metabolites (all annotated with resolvable CHEBI identifiers and InChi strings), measured by gas chromatography mass-spectrometry (GC-MS) in 6 different Rose cultivars (all annotated with resolvable NCBITaxonomy Identifiers) and 3 organism parts (all annotated with resolvable Plant Ontology identifiers). The quantitation types are annotated with resolvable STATO terms.  

The data were extracted from:


	a supplementary material table, available from https://static-content.springer.com/esm/art%3A10.1038%2Fs41588-018-0110-3/MediaObjects/41588_2018_110_MOESM3_ESM.zip  and published alongside the Nature Genetics manuscript identified by the following doi: https://doi.org/10.1038/s41588-018-0110-3, published in June 2018
	a supplementary material table available as a pdf from "Biosynthesis of monoterpene scent compounds in roses" by Magnard et al, Science  03 Jul 2015 identified by the following doi: https://doi.org/10.1126/science.aab0696


This dataset is used to demonstrate how to make data Findable, Accessible, Discoverable and Interoperable (FAIR) and how Frictionless Tabular Data Package representations can be easily mobilised for reanalysis and data science.

It is associated to the following project: https://github.com/proccaserra/rose2018ng-notebook with all the necessary information, executable code and tutorials in the form of Jupyter notebooks.
description: {"references": ["https://doi.org/10.1038/s41588-018-0110-3", "https://doi.org/10.1126/science.aab0696"]}
DOI: 10.5281/zenodo.2621542
title: Frictionless Tabular Data Package for GC-MS Rose scent profile data for Data published in Nature genetics, June, 2018 & Science, July 2015

description: This dataset, in the form of a Frictionless Tabular Data Package (https://frictionlessdata.io/specs/tabular-data-package/), holds the measurements of 61 known metabolites (all annotated with resolvable CHEBI identifiers and InChi strings), measured by gas chromatography mass-spectrometry (GC-MS) in 6 different Rose cultivars (all annotated with resolvable NCBITaxonomy Identifiers) and 3 organism parts (all annotated with resolvable Plant Ontology identifiers). The quantitation types are annotated with resolvable STATO terms.  

The data were extracted from:


	a supplementary material table, available from https://static-content.springer.com/esm/art%3A10.1038%2Fs41588-018-0110-3/MediaObjects/41588_2018_110_MOESM3_ESM.zip  and published alongside the Nature Genetics manuscript identified by the following doi: https://doi.org/10.1038/s41588-018-0110-3, published in June 2018
	a supplementary material table available as a pdf from "Biosynthesis of monoterpene scent compounds in roses" by Magnard et al, Science  03 Jul 2015 identified by the following doi: https://doi.org/10.1126/science.aab0696


This dataset is used to demonstrate how to make data Findable, Accessible, Discoverable and Interoperable (FAIR) and how Frictionless Tabular Data Package representations can be easily mobilised for reanalysis and data science.

It is associated to the following project: https://github.com/proccaserra/rose2018ng-notebook with all the necessary information, executable code and tutorials in the form of Jupyter notebooks.
description: {"references": ["https://doi.org/10.1038/s41588-018-0110-3", "https://doi.org/10.1126/science.aab0696"]}
DOI: 10.5517/ccdc.csd.cc1phfn8
title: CCDC 1563970: Experimental Crystal Structure Determination

description: Related Article: Hua-Chen Lin,  Pei-Pei Xie,  Zhen-Yao Dai,  Shuo-Qing Zhang,  Pu-Sheng Wang,  Yu-Gen Chen,  Tian-Ci Wang,  Xin Hong,  Liu-Zhu Gong|2019|J.Am.Chem.Soc.|141|5824|doi:10.1021/jacs.8b13582
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.cc20ptm5
title: CCDC 1868017: Experimental Crystal Structure Determination

description: Related Article: Rui-Kang Huang,  Sha-Sha Wang,  De-Xuan Liu,  Xin Li,  Jian-Ming Song,  Yuan-Hua Xia,  Dong-Dong Zhou,  Jin Huang,  Wei-Xiong Zhang,  Xiao-Ming Chen|2019|J.Am.Chem.Soc.|141|5645|doi:10.1021/jacs.9b01866
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.cc20ptn6
title: CCDC 1868018: Experimental Crystal Structure Determination

description: Related Article: Rui-Kang Huang,  Sha-Sha Wang,  De-Xuan Liu,  Xin Li,  Jian-Ming Song,  Yuan-Hua Xia,  Dong-Dong Zhou,  Jin Huang,  Wei-Xiong Zhang,  Xiao-Ming Chen|2019|J.Am.Chem.Soc.|141|5645|doi:10.1021/jacs.9b01866
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.cc20ptp7
title: CCDC 1868019: Experimental Crystal Structure Determination

description: Related Article: Rui-Kang Huang,  Sha-Sha Wang,  De-Xuan Liu,  Xin Li,  Jian-Ming Song,  Yuan-Hua Xia,  Dong-Dong Zhou,  Jin Huang,  Wei-Xiong Zhang,  Xiao-Ming Chen|2019|J.Am.Chem.Soc.|141|5645|doi:10.1021/jacs.9b01866
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: 10.13145/bacdive304.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive305.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive306.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.5281/zenodo.2621413
title: Locator Lommel Datasets

description: These files contain the results of applying the techniques developed during the Locator project on datasets recorded at our Lommel site.

Raw measurement data including UWB ranges and channel diagnostics, encoder data, IMU data as well as vehicle and sensor fusion configuration can be made available on request.

Please contact Erik Hostens or Nathan Dwek.
DOI: 10.5517/ccdc.csd.cc20z6mv
title: CCDC 1876077: Experimental Crystal Structure Determination

description: Related Article: Ran Lu,  Liya Cao,  Honghao Guan,  Lei Liu|2019|J.Am.Chem.Soc.|141|6318|doi:10.1021/jacs.9b00615
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.cc20z6px
title: CCDC 1876079: Experimental Crystal Structure Determination

description: Related Article: Ran Lu,  Liya Cao,  Honghao Guan,  Lei Liu|2019|J.Am.Chem.Soc.|141|6318|doi:10.1021/jacs.9b00615
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.cc21lxdz
title: CCDC 1895011: Experimental Crystal Structure Determination

description: Related Article: Fu-Dong Lu,  Dan Liu,  Lei Zhu,  Liang-Qiu Lu,  Qian Yang,  Quan-Quan Zhou,  Yi Wei,  Yu Lan,  Wen-Jing Xiao|2019|J.Am.Chem.Soc.|141|6167|doi:10.1021/jacs.9b02338
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.cc21mly7
title: CCDC 1895679: Experimental Crystal Structure Determination

description: Related Article: Nathanael A. Hirscher,  Danny Perez Sierra,  Theodor Agapie|2019|J.Am.Chem.Soc.|141|6022|doi:10.1021/jacs.9b01387
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.cc21mlz8
title: CCDC 1895680: Experimental Crystal Structure Determination

description: Related Article: Nathanael A. Hirscher,  Danny Perez Sierra,  Theodor Agapie|2019|J.Am.Chem.Soc.|141|6022|doi:10.1021/jacs.9b01387
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: 10.13145/bacdive307.20190402.4
title: Achromobacter xylosoxidans subsp. xylosoxidans (ex Yabuuchi and Ohyama 1971) Yabuuchi et al. 1998

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.