cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010130-1
title: Assessment of muonium reactivity with the first isolated propargyl cation

description: Carbon and nitrogen based compounds are outshone by the material made from their transition metal neighbours such as gold, palladium, and silver. In this proposal, we are planning to break this norm. This will be done by combining the experience of two research groups. One has pioneering works in the area of novel main group compounds such as those made by carbon and nitrogen (Clyburne group) and ionic liquids (liquids that are made solely from ions). The other has pioneering works in the area of electron transfer; laser excited electron transfer (from electron donors to electron acceptors) as well as ionic liquid chemistry including their radiation, and free radical chemistry (Ghandi’s group). The main objective of this project is to study free radical chemistry of a main group-based cation that has interesting potential to develop reactive ionic liquids for different applications.
DOI: 10.5286/isis.e.rb2010771
title: The conversion kinetics and adsorption potential of molecular hydrogen probed by energy-dispersive neutron imaging

description: The study and characterisation of the physical adsorption of molecular hydrogen in porous materials is of primary interest for efficient and green transport technology. Adsorption zero-point energy, only recently included in state-of-the-art computer simulations, reduces the H2 uptake levels. Following some preliminary results, based on neutron transmission and neutron Compton scattering at the VESUVIO spectrometer, we suggest that the adsorption zero-point energy, increasing the kinetic energy of the molecule's centre of mass, changes the temperature-dependent concentrations of the para- and ortho- modifications of molecular hydrogen. Given the exquisite sensitivity of neutrons to the difference in the cross sections of the two forms, we suggest that energy-dispersive neutron imaging can be used as a spectroscopic probe to reconstruct the hydrogen-adsorption potential energy surface.
DOI: 10.5286/isis.e.rb2010771-1
title: The conversion kinetics and adsorption potential of molecular hydrogen probed by energy-dispersive neutron imaging

description: The study and characterisation of the physical adsorption of molecular hydrogen in porous materials is of primary interest for efficient and green transport technology. Adsorption zero-point energy, only recently included in state-of-the-art computer simulations, reduces the H2 uptake levels. Following some preliminary results, based on neutron transmission and neutron Compton scattering at the VESUVIO spectrometer, we suggest that the adsorption zero-point energy, increasing the kinetic energy of the molecule's centre of mass, changes the temperature-dependent concentrations of the para- and ortho- modifications of molecular hydrogen. Given the exquisite sensitivity of neutrons to the difference in the cross sections of the two forms, we suggest that energy-dispersive neutron imaging can be used as a spectroscopic probe to reconstruct the hydrogen-adsorption potential energy surface.
DOI: 10.5286/isis.e.rb2010513
title: Drug distribution and structure of lipidic nanocapsules intended for drug delivery to the retina.

description: Several retinal disorders are lacking a valid treatment due to its complexity and non-accessibility. A novel class of drugs were developed that are effective against photoreceptor cell death and could therefore become a potential treatment for inherited retinal degeneration. Lipidic nanocapules (LNCs) are being evaluated for delivery of drug to the retinal tissue, but no detailed structural characterization of LNCs has been done. This project aims to give clear insight in elucidating the overall and internal structure of LNCs and the drug spreading in various layers of LNCs by means of small-angle neutron scattering (SANS). This information is significantly critical in order to understand the structure of LNCs, drug interaction with LNCs, and to better comprehend and modify the drug release mechanism and delivery. This will greatly improve the prospects for their clinical translation.
DOI: 10.5286/isis.e.rb2010513-1
title: Drug distribution and structure of lipidic nanocapsules intended for drug delivery to the retina.

description: Several retinal disorders are lacking a valid treatment due to its complexity and non-accessibility. A novel class of drugs were developed that are effective against photoreceptor cell death and could therefore become a potential treatment for inherited retinal degeneration. Lipidic nanocapules (LNCs) are being evaluated for delivery of drug to the retinal tissue, but no detailed structural characterization of LNCs has been done. This project aims to give clear insight in elucidating the overall and internal structure of LNCs and the drug spreading in various layers of LNCs by means of small-angle neutron scattering (SANS). This information is significantly critical in order to understand the structure of LNCs, drug interaction with LNCs, and to better comprehend and modify the drug release mechanism and delivery. This will greatly improve the prospects for their clinical translation.
DOI: 10.5286/isis.e.rb2010325
title: Structure of disordered electrode materials for Li-ion batteries

description: Traditionally, intercalation-type electrodes for Li-ion batteries have been highly crystalline materials with well-defined long-range order. This has been through of as a requirement for efficient and reversible ion-storage. However, recently several disordered or even amorphous electrode materials have emerged which display high and stable capacities. This brings new perspectives to the search for cheaper and environmentally friendly battery electrodes. However, presently very little is known about the nature of these disordered materials or about how ions are stored in them. In this experiment we aim to investigate the local structure of two types of electrode materials, LixTiO2 (0 &lt; x &lt; 1) and LixV2O5 (0 &lt; x &lt; 3). Hereby, we will unravel the details of the disordered structures and most importantly discover how the Li-ions are positioned herein.
DOI: 10.5286/isis.e.rb2010325-1
title: Structure of disordered electrode materials for Li-ion batteries

description: Traditionally, intercalation-type electrodes for Li-ion batteries have been highly crystalline materials with well-defined long-range order. This has been through of as a requirement for efficient and reversible ion-storage. However, recently several disordered or even amorphous electrode materials have emerged which display high and stable capacities. This brings new perspectives to the search for cheaper and environmentally friendly battery electrodes. However, presently very little is known about the nature of these disordered materials or about how ions are stored in them. In this experiment we aim to investigate the local structure of two types of electrode materials, LixTiO2 (0 &lt; x &lt; 1) and LixV2O5 (0 &lt; x &lt; 3). Hereby, we will unravel the details of the disordered structures and most importantly discover how the Li-ions are positioned herein.
DOI: 10.5286/isis.e.rb2010309
title: Molecular Cation Motion in the (NH3NH2)Mg(HCO2)3 Frameworks

description: Ferroelectrics, which have permanent and switchable charge polarisation, have many applications including memory storage and energy harvesting. There is growing interest in ferroelectric materials built from extended frameworks comprising metal centres bridged by organic ligands where the polarisation arises from charged molecules in the pores of these materials. Amongst such compounds (NH3NH2)Mg(HCO2)3 is especially interesting, having been reported to have ferroelectric properties that are potentially useful across a wider range of temperatures. Such relaxor ferroelectric properties are usually caused by mechanisms not possible in this case. We will investigate the dynamics of the proton movement to support our recent NMR studies, and whether the protons are migrating within or between the NH3NH2 molecules, to understand the origins of the functional properties of this material.
DOI: 10.5286/isis.e.rb2010309-1
title: Molecular Cation Motion in the (NH3NH2)Mg(HCO2)3 Frameworks

description: Ferroelectrics, which have permanent and switchable charge polarisation, have many applications including memory storage and energy harvesting. There is growing interest in ferroelectric materials built from extended frameworks comprising metal centres bridged by organic ligands where the polarisation arises from charged molecules in the pores of these materials. Amongst such compounds (NH3NH2)Mg(HCO2)3 is especially interesting, having been reported to have ferroelectric properties that are potentially useful across a wider range of temperatures. Such relaxor ferroelectric properties are usually caused by mechanisms not possible in this case. We will investigate the dynamics of the proton movement to support our recent NMR studies, and whether the protons are migrating within or between the NH3NH2 molecules, to understand the origins of the functional properties of this material.
DOI: 10.5286/isis.e.rb2010474
title: Magnetic structures of high-temperature multiferroic compound YBa(Cu1-xMnx)FeO5

description: YBaCuFeO5 has two magnetic transitions: The spin system orders to a collinear structure at TN1, and it changes at TN2 to incommensurate spiral structure accompanied with a ferroelectricity and multiferroic. Recently, it reported that TN2 of YBaCuFeO5 can be increased above 310 K through a controlled manipulation of the Cu/Fe chemical disorder. We have investigated the magnetic properties of YBaCu1-xMnxFeO5, because doped Mn ions induce the Cu/Fe chemical disorder. We found that the TN2 can be raised by Mn-doping above 350 K. The two magnetic transitions become one at x = 0.05, and two transitions appear again above x = 0.05, In order to understand the origin of these magnetic transitions, we request 4 days on the WISH diffractometer to collect the neutron magnetic reflection intensities from the four samples YBaCu1-xMnxFeO5 (x=0, 0.03, 0.05 and 0.07).
DOI: 10.5286/isis.e.rb2010474-1
title: Magnetic structures of high-temperature multiferroic compound YBa(Cu1-xMnx)FeO5

description: YBaCuFeO5 has two magnetic transitions: The spin system orders to a collinear structure at TN1, and it changes at TN2 to incommensurate spiral structure accompanied with a ferroelectricity and multiferroic. Recently, it reported that TN2 of YBaCuFeO5 can be increased above 310 K through a controlled manipulation of the Cu/Fe chemical disorder. We have investigated the magnetic properties of YBaCu1-xMnxFeO5, because doped Mn ions induce the Cu/Fe chemical disorder. We found that the TN2 can be raised by Mn-doping above 350 K. The two magnetic transitions become one at x = 0.05, and two transitions appear again above x = 0.05, In order to understand the origin of these magnetic transitions, we request 4 days on the WISH diffractometer to collect the neutron magnetic reflection intensities from the four samples YBaCu1-xMnxFeO5 (x=0, 0.03, 0.05 and 0.07).
DOI: 10.5286/isis.e.rb2000164
title: "ISIS@MACH" Neutron transmission on heavy concrete for barite content optimisation

description: Heavy concrete for radiation shielding is obtained by making use of heavy natural aggregates such as barites or magnetite in the mixing process. Barite containing systems, whose weight/concentration ratio determines the optimal composition for radiological impermeability and structural performance are mostly used for MeV- energy range diagnostic and therapy ionising radiation installations. We propose a neutron transmission measurement on VESUVIO at ISIS in the neutron energy range 3 meV to about 15 keV where precise neutron attenuation data for the uncollided neutron beam geometry are not available in the literature, by making use of the ISIS@MACH neutron gate.
DOI: 10.5286/isis.e.rb2000164-1
title: "ISIS@MACH" Neutron transmission on heavy concrete for barite content optimisation

description: Heavy concrete for radiation shielding is obtained by making use of heavy natural aggregates such as barites or magnetite in the mixing process. Barite containing systems, whose weight/concentration ratio determines the optimal composition for radiological impermeability and structural performance are mostly used for MeV- energy range diagnostic and therapy ionising radiation installations. We propose a neutron transmission measurement on VESUVIO at ISIS in the neutron energy range 3 meV to about 15 keV where precise neutron attenuation data for the uncollided neutron beam geometry are not available in the literature, by making use of the ISIS@MACH neutron gate.
DOI: 10.5286/isis.e.rb2010120
title: Magnetism in the perovskite KAgF3

description: Silver II fluorides (containing the spin-1/2 Ag2+ ion) bear many similarities to the high-Tc cuprates (containing the spin-1/2 Cu2+ ion). However, these exotic fluorides are difficult to prepare and few groups have the expertise to pursue the necessary fluorine chemistry. Recently, high-quality samples of KAgF3 have been prepared, a compound which has a distorted perovskite structure and exhibits a plethora of interesting magnetic transitions whose origin remains to be clarified. We propose to study KAgF3 using zero-field muSR through all the putative transitions because the technique is ideal for distinguishing between bulk transitions and impurity effects. The key aim of the experiment though is to discover how the extremely large intrachain superexchange interactions are manifested in the actual magnetic ground state in this fascinating compound.
DOI: 10.5286/isis.e.rb2010120-1
title: Magnetism in the perovskite KAgF3

description: Silver II fluorides (containing the spin-1/2 Ag2+ ion) bear many similarities to the high-Tc cuprates (containing the spin-1/2 Cu2+ ion). However, these exotic fluorides are difficult to prepare and few groups have the expertise to pursue the necessary fluorine chemistry. Recently, high-quality samples of KAgF3 have been prepared, a compound which has a distorted perovskite structure and exhibits a plethora of interesting magnetic transitions whose origin remains to be clarified. We propose to study KAgF3 using zero-field muSR through all the putative transitions because the technique is ideal for distinguishing between bulk transitions and impurity effects. The key aim of the experiment though is to discover how the extremely large intrachain superexchange interactions are manifested in the actual magnetic ground state in this fascinating compound.
DOI: 10.5286/isis.e.rb1969006
title: Re-visiting the phase diagram of MnSi

description: The reference helimagnet MnSi was the first system where skyrmion lattices were identified for the first time. The magnetic field - temperature phase diagram of this system follows the generic scheme of cubic chiral magnets. However, new findings on the similar system Cu2OSeO3 show that the magnetic field can stabilise new phases and under certain conditions, the skyrmionic correlations may expand beyond the A-phase pocket. We now propose to re-visit the phase diagram of MnSi and use SANS to search for new (skyrmionic) phases.
DOI: 10.5286/isis.e.rb1969006-1
title: Re-visiting the phase diagram of MnSi

description: The reference helimagnet MnSi was the first system where skyrmion lattices were identified for the first time. The magnetic field - temperature phase diagram of this system follows the generic scheme of cubic chiral magnets. However, new findings on the similar system Cu2OSeO3 show that the magnetic field can stabilise new phases and under certain conditions, the skyrmionic correlations may expand beyond the A-phase pocket. We now propose to re-visit the phase diagram of MnSi and use SANS to search for new (skyrmionic) phases.
DOI: 10.5286/isis.e.rb2010497
title: Nature of the Magnetic Order in the New Nd-based Pyrochlore Nd2Pt2O7

description: We propose to carry out neutron diffraction experiments on Nd2Pt2O7 using WISH. We have successfully synthesized a polycrystalline sample of this new member of the Nd-based pyrochlore family. Nd2Zr2O7 orders at 285 mK with an all-in-all-out (AIAO) anti-ferromagnetic (AFM) structure and exhibits magnetic fragmentation, while Nd2Sn2O7 adopts a noncoplanar AIAO structure below 0.91 K. For Nd2Pt2O7, our heat capacity and magnetization data reveal this system orders magnetically at a much higher temperature of 1.4 K. While an AIAO structure is anticipated, the exact nature of the magnetic order is unknown. Hysteresis in the magnetization vs temperature curves below the ordering T suggests a canting or FM component to the ordering. It is crucial to determine the magnetic structure of Nd2Pt2O7 in order to develop a unified understanding of the physics of the Nd-based pyrochlores.
DOI: 10.5286/isis.e.rb2010497-1
title: Nature of the Magnetic Order in the New Nd-based Pyrochlore Nd2Pt2O7

description: We propose to carry out neutron diffraction experiments on Nd2Pt2O7 using WISH. We have successfully synthesized a polycrystalline sample of this new member of the Nd-based pyrochlore family. Nd2Zr2O7 orders at 285 mK with an all-in-all-out (AIAO) anti-ferromagnetic (AFM) structure and exhibits magnetic fragmentation, while Nd2Sn2O7 adopts a noncoplanar AIAO structure below 0.91 K. For Nd2Pt2O7, our heat capacity and magnetization data reveal this system orders magnetically at a much higher temperature of 1.4 K. While an AIAO structure is anticipated, the exact nature of the magnetic order is unknown. Hysteresis in the magnetization vs temperature curves below the ordering T suggests a canting or FM component to the ordering. It is crucial to determine the magnetic structure of Nd2Pt2O7 in order to develop a unified understanding of the physics of the Nd-based pyrochlores.
DOI: 10.5286/isis.e.rb2010581
title: Magnetic excitations and nematic spin correlations of uniaxial-strained KFe0.8Ag1.2Te2

description: KFe0.8Ag1.2Te2 (KFAT) is structurally similar to the parent compounds of iron-based superconductors (PC-IBS). In addition, it also exhibits simultaneous stripe-type magnetic and structural phase transitions. The similarities in KFAT and PC-IBS suggests the 2×2 Fe clusters already contains the essential physics of the nematic state in PC-IBS in the localized limit, and KFAT is an ideal system to study such physics. Here we propose to study the magnetic excitations of uniaxial-strained KFAT (TS,N ~ 35K) at temperatures below and above TS,N by neutron scattering to (1) understand how magnetic excitations connects to the divergent nematic susceptibility seen in magnetic susceptibility, (2) disentangle contributions of spin waves from different domains in the ordered state (as was done for BaFe2As2), and (3) probe the energy dependence of the anisotropy of the continuum at Q1 and Q2.
DOI: 10.5286/isis.e.rb2010581-1
title: Magnetic excitations and nematic spin correlations of uniaxial-strained KFe0.8Ag1.2Te2

description: KFe0.8Ag1.2Te2 (KFAT) is structurally similar to the parent compounds of iron-based superconductors (PC-IBS). In addition, it also exhibits simultaneous stripe-type magnetic and structural phase transitions. The similarities in KFAT and PC-IBS suggests the 2×2 Fe clusters already contains the essential physics of the nematic state in PC-IBS in the localized limit, and KFAT is an ideal system to study such physics. Here we propose to study the magnetic excitations of uniaxial-strained KFAT (TS,N ~ 35K) at temperatures below and above TS,N by neutron scattering to (1) understand how magnetic excitations connects to the divergent nematic susceptibility seen in magnetic susceptibility, (2) disentangle contributions of spin waves from different domains in the ordered state (as was done for BaFe2As2), and (3) probe the energy dependence of the anisotropy of the continuum at Q1 and Q2.
DOI: 10.5286/isis.e.rb2010378
title: The Effect of Framework Composition and Molecular Mobility on Controlled Anticancer Drug Release by Zeolites.

description: Zeolites are a promising group of materials for use in controlled delivery systems of anticancer drugs such as 5-Fluorouracil (5-FU) as they are crystalline, relatively cheap and possess channels and cavities that are suitable for the accommodation of different drug molecules. We aim to use quasielastic neutron scattering experiments to determine the mobility rates and mechanisms of 5-FU in zeolite faujasite (FAU), whilst varying the counterion (H+ and Na+) and Si/Al ratio (Si/Al = 5 and 80) of the zeolite. We also aim to quantify the barriers to fundamental mobility of the drug using elastic window scans from 50 – 300 K. This will allow for both validation of molecular modelling work carried out so far, and for a detailed understanding of which framework characteristics such as the nature and concentration of counterions affect molecular behaviour of confined 5-FU.
DOI: 10.5284/1078323
title: Dividing the Land

description: Field systems are ubiquitous features of the English countryside and despite much work on their character having taken place for almost a century relatively little is known about their chronology. This project addressed this imbalance by utilising the research potential of developer-funded scientific dating (which provides an estimated c 80% of archaeological radiocarbon dating in England) together with data from published sources to produce a detailed narrative of the chronological development of field systems in Yorkshire and the north Midlands (Derbyshire, Nottinghamshire and Lincolnshire), across all periods. In so doing addressing three research topics identified in the Historic England Research Agenda: #inform by producing new narratives from big data; #innovate by using dating and chronology; and #understand by capturing the significance of rural heritage.
DOI: 10.5281/zenodo.4034513
title: Inter- and transdisciplinary projects in FP7 and H2020 (May 2019)

description: The metadata of interdisciplinary (IDR) and transdisciplinary (TDR) projects conducted under the European Union framework programs (FP7 & Horizon 2020) were collected from the Cordis database (https://cordis.europa.eu/). SHAPE-ID research team used periodic data dumps, stored in EU open data portal (https://data.europa.eu/euodp/en/data/dataset/cordisfp7projects and https://data.europa.eu/euodp/en/data/dataset/cordisH2020projects). The data dump from <strong>May 2019</strong> was used, so the FP7 database is complete while H2020 projects were still being added periodically. CORDIS files were subsequently queried for interdisciplinar* or transdicsiplinar*, matched against title or abstract (“objective”). This procedure allowed for creating two subsets: FP7_projects_May2019_IDR_TDR.csv 1750 FP7 projects. Out of 1699 IDR projects, interdisciplinar* featured in 40 titles and 1679 abstracts. Out of 56 TDR projects transdisciplinar* featured in 2 project titles and 54 abstracts. 1912 H2020 projects (as of May 2019). Out of 1837 IDR projects, interdisciplinar* featured in 57 titles and 1820 abstracts. Out of 85 TDR projects transdisciplinar* featured in 2 project titles and 85 abstracts. <strong>Description of the files </strong> CSV files contain the same fields as CORDIS database data dumps: id, acronym, status, programme, topics, framework Programme, title, startDate, endDate, projectUrl, objective, totalCost, ecMaxContribution, call, fundingScheme, coordinator, coordinatorCountry, participants, participantCountries, subjects. Additional fields: IDR - project features interdiciplinary research (1 = yes, 0 = no) TDR - project features transdiciplinary research (1 = yes, 0 = no) Title_Interdisciplinar* - frequency of “interdisciplinar*” in the project title Objective_interdisciplinar*- frequency of “interdisciplinar*” in the project objective Title_transdisciplinar* - frequency of “interdisciplinar*” in the project title Obj_transdisiplinar* - frequency of “interdisciplinar*” in the project objective Reference data (countries, funding schemes/types of action, subjects (SIC codes)) can be found in this dataset: https://data.europa.eu/euodp/en/data/dataset/cordisref-data