cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1920735
title: Neutron Spin resonance in the Fe-based silicide superconductor LaFeSiH

description: The iron-based superconductors (Fe-SC) are one of the most active and challenging topics in condensed matter physics. Very recently some of us (F. Bernardini et al.) have reported superconductivity in novel silicide LaFeSiH at Tc = 11 K. LaFeSiH is the first Fe-SC without toxic element. DFT calculations have revealed that the superconducting properties of LaFeSiH are unconventional in the sense that they cannot be explained by the electron-phonon mechanism in conventional BCS theory. Given the utmost importance of understanding the similarities and differences in the pairing mechanism with other known Fe-based SC, we want to investigate the spin resonance energy (ER) in the superconducting state of LaFeSiH using the MARI/MERLIN spectrometer. By comparing the value of resonance energy with the superconducting gap energy will provide important information on the sign change of the gap.
DOI: 10.5286/isis.e.rb1920735-1
title: Neutron Spin resonance in the Fe-based silicide superconductor LaFeSiH

description: The iron-based superconductors (Fe-SC) are one of the most active and challenging topics in condensed matter physics. Very recently some of us (F. Bernardini et al.) have reported superconductivity in novel silicide LaFeSiH at Tc = 11 K. LaFeSiH is the first Fe-SC without toxic element. DFT calculations have revealed that the superconducting properties of LaFeSiH are unconventional in the sense that they cannot be explained by the electron-phonon mechanism in conventional BCS theory. Given the utmost importance of understanding the similarities and differences in the pairing mechanism with other known Fe-based SC, we want to investigate the spin resonance energy (ER) in the superconducting state of LaFeSiH using the MARI/MERLIN spectrometer. By comparing the value of resonance energy with the superconducting gap energy will provide important information on the sign change of the gap.
DOI: 10.15468/rk2ef3
title: Salmoneus durisi sp. nov., an infaunal alpheid shrimp probably associated with callianassid ghost shrimps in the tropical Indo-West Pacific (Malacostraca: Decapoda: Caridea)

description: This dataset contains the digitized treatments in Plazi based on the original journal volume Anker, Arthur, Ashrafi, Hossein (2019): Salmoneus durisi sp. nov., an infaunal alpheid shrimp probably associated with callianassid ghost shrimps in the tropical Indo-West Pacific (Malacostraca: Decapoda: Caridea). Zootaxa 4651 (1), DOI: https://doi.org/10.11646/zootaxa.4651.1.4
DOI: 10.5286/isis.e.rb1920283
title: High resolution studies of P2-type sodium ion battery cathode materials

description: We request 2 days beam time on HRPD for ex-situ, room temperature, powder diffraction studies of P2-type sodium-ion battery cathode materials based on the Na2/3Mn2/3Ni1/3O2 standard material. The principal objective of this proposal is to determine the structure of a series of P2-type materials, to whit: Na2/3Mn2/3Ni1/3O2, Na0.656Mn0.7Ni0.3O2 and Na0.62Mn0.75Ni0.25O2, which have each been synthesised at four different temperatures. HRPD is the beamline of choice because of its excellent resolution, which is necessary for elucidating the exact structural variation between the materials. The knowledge gained will be used to inform the synthesis of improved sodium-ion battery cathode materials.
DOI: 10.5286/isis.e.rb1920283-1
title: High resolution studies of P2-type sodium ion battery cathode materials

description: We request 2 days beam time on HRPD for ex-situ, room temperature, powder diffraction studies of P2-type sodium-ion battery cathode materials based on the Na2/3Mn2/3Ni1/3O2 standard material. The principal objective of this proposal is to determine the structure of a series of P2-type materials, to whit: Na2/3Mn2/3Ni1/3O2, Na0.656Mn0.7Ni0.3O2 and Na0.62Mn0.75Ni0.25O2, which have each been synthesised at four different temperatures. HRPD is the beamline of choice because of its excellent resolution, which is necessary for elucidating the exact structural variation between the materials. The knowledge gained will be used to inform the synthesis of improved sodium-ion battery cathode materials.
DOI: 10.5286/isis.e.rb1920411
title: Molecular interactions and protein stability in the accessory gene regulator quorum sensing system of Staphylococcus aureus

description: Staphylococcus aureus is a normal skin commensal and an opportunistic pathogen that presents serious threat to healthcare. It is the causative agent of septicaemia and bacteriaemia and is implicated in significant morbidity and mortality in hospital patients, particularly resistant strains such as MRSA. The accessory gene regulator, agr, system encodes bacterial communications that modulate the expression of virulence factors and bacterial population dynamics playing a major role in patient quality of life and as determinant of clinical outcome. We investigate drug targets on the agr pathway using individual pathway members and a set of lead compounds with demonstrated activity in regulating the agr system. We propose to use SANS at ISIS to observe the complex formation between protein partners in the agr cascade and the role of inhibitors on their assembly and stability.
DOI: 10.5286/isis.e.rb1920529
title: Investigating the Influence of Polymer Properties on Cyclic Peptide-Polymer Conjugate Nanotube Length

description: Cyclic peptides with alternating side chain stereochemistry are capable of self-assembling into long nanotubes (CPNTs). The conjugation of polymers to these peptides renders the resulting nanotubes water soluble, whilst providing functionality. CPNTs have promising applications in drug delivery where nanotube length dictates their bioavailability. However, we have limited understanding of how the chemistry of the polymers influences nanotube length. Here we propose to investigate how changing polymer properties such as molecular weight, hydrophobicity and aromaticity modulate the length of CPNTs. Spin-echo small angle neutron scattering is the ideal technique to investigate this question, able to resolve the real space distance distribution of CPNTs over large length scales. This information will facilitate the design of CPNTs of controlled length for drug delivery applications.
DOI: 10.5286/isis.e.rb1920529-1
title: Investigating the Influence of Polymer Properties on Cyclic Peptide-Polymer Conjugate Nanotube Length

description: Cyclic peptides with alternating side chain stereochemistry are capable of self-assembling into long nanotubes (CPNTs). The conjugation of polymers to these peptides renders the resulting nanotubes water soluble, whilst providing functionality. CPNTs have promising applications in drug delivery where nanotube length dictates their bioavailability. However, we have limited understanding of how the chemistry of the polymers influences nanotube length. Here we propose to investigate how changing polymer properties such as molecular weight, hydrophobicity and aromaticity modulate the length of CPNTs. Spin-echo small angle neutron scattering is the ideal technique to investigate this question, able to resolve the real space distance distribution of CPNTs over large length scales. This information will facilitate the design of CPNTs of controlled length for drug delivery applications.
DOI: 10.5286/isis.e.rb2000004
title: A new approach to look at membrane in plane organisation via giSANS

description: Biological membrane in plane organisation is a challenging topic, specially since it has been suggested to depend on curvature. So far the main approach to study curvature induces in plane phase separation has been through the approach of fluorescent techniques and liposomes. Here we propose to use grazing angle small angle neutron scattering to explore the signal from a well ordered nanoparticle coated surface and use it as a solid substrate to form curved supported lipid bilayers by vesicle fusion. The curvature of the membranes will be tuned by the size of the nanoparticles in the surface coating.
DOI: 10.5286/isis.e.rb2000004-1
title: A new approach to look at membrane in plane organisation via giSANS

description: Biological membrane in plane organisation is a challenging topic, specially since it has been suggested to depend on curvature. So far the main approach to study curvature induces in plane phase separation has been through the approach of fluorescent techniques and liposomes. Here we propose to use grazing angle small angle neutron scattering to explore the signal from a well ordered nanoparticle coated surface and use it as a solid substrate to form curved supported lipid bilayers by vesicle fusion. The curvature of the membranes will be tuned by the size of the nanoparticles in the surface coating.
DOI: 10.5519/qd.q88y65nj
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (6248 records)
DOI: 10.5281/zenodo.3359301
title: DWD European Weather 2

description: opendata.dwd.de - OpenData by Deutscher Wetter Dienst Conditions: https://www.dwd.de/EN/service/copyright/copyright_node.html dates and times are UTC.
DOI: 10.5286/isis.e.rb1920104
title: Increasing the stability range of substituted delta-Bi2O3 oxide ion conductors: a high entropy dopant approach.

description: It has been demonstrated that stabilised bismuth oxides can be successfully incorporated into intermediate temperature solid oxide fuel cells. These stabilised bismuth oxides generally have lower conductivity than bismuth oxide itself, due to dopant-vacancy interactions, with conductivity significantly decreasing with increasing dopant level. Here we use a high entropy dopant (HED) approach to stabilise the highly conducting -Bi2O3 phase at much lower dopant levels than can be achieved using a single dopant allowing for significantly higher conductivities to be attained. This proposal seeks to clarify the oxide ion vacancy/interstitial distribution in three new HED stabilised bismuth oxides, with a view to correlating these structural changes with changes seen in the conductivity behaviour as a function of temperature.
DOI: 10.5286/isis.e.rb1920104-1
title: Increasing the stability range of substituted delta-Bi2O3 oxide ion conductors: a high entropy dopant approach.

description: It has been demonstrated that stabilised bismuth oxides can be successfully incorporated into intermediate temperature solid oxide fuel cells. These stabilised bismuth oxides generally have lower conductivity than bismuth oxide itself, due to dopant-vacancy interactions, with conductivity significantly decreasing with increasing dopant level. Here we use a high entropy dopant (HED) approach to stabilise the highly conducting -Bi2O3 phase at much lower dopant levels than can be achieved using a single dopant allowing for significantly higher conductivities to be attained. This proposal seeks to clarify the oxide ion vacancy/interstitial distribution in three new HED stabilised bismuth oxides, with a view to correlating these structural changes with changes seen in the conductivity behaviour as a function of temperature.
DOI: 10.5286/isis.e.rb1920331
title: Mechanism of hydrogen residue in metal hydrides formed from high-entropy alloys by inelastic neutron spectroscopy

description: High-entropy alloys (HEAs) typically contain four or more principle elements in equimolar amounts. We have recently discovered the first bcc HEA-based hydride with reversible hydrogen storage capacity at room-temperature, TiVCrNbH8. In addition, this material excels at many of the traditional showstoppers for applied hydrogen storage in intermetallic hydrides, i.e. degradation after repeated hydrogen absorption/desorption cycling, surface passivation and slow hydrogen sorption kinetics. This material is therefore promising as a future hydrogen storage material. However, the reversible capacity is 1.96 wt.% H2 while the full capacity in TiVCrNbH8 is 3.14 wt.% H2. This means that there are certain interstitial sites within the metal matrix where the H-atoms are bound more tightly than others. If these sites can be destabilized, the full hydrogen storage capacity of would become accessible.
DOI: 10.5286/isis.e.rb1920411-1
title: Molecular interactions and protein stability in the accessory gene regulator quorum sensing system of Staphylococcus aureus

description: Staphylococcus aureus is a normal skin commensal and an opportunistic pathogen that presents serious threat to healthcare. It is the causative agent of septicaemia and bacteriaemia and is implicated in significant morbidity and mortality in hospital patients, particularly resistant strains such as MRSA. The accessory gene regulator, agr, system encodes bacterial communications that modulate the expression of virulence factors and bacterial population dynamics playing a major role in patient quality of life and as determinant of clinical outcome. We investigate drug targets on the agr pathway using individual pathway members and a set of lead compounds with demonstrated activity in regulating the agr system. We propose to use SANS at ISIS to observe the complex formation between protein partners in the agr cascade and the role of inhibitors on their assembly and stability.
DOI: 10.5286/isis.e.rb1920692
title: Spin dynamics of a rare quantum magnet with a combined type-II multiferroic and a linear magnetoelectric coupling

description: Novel functionality in condensed matter physics is one of fastest developing fields, aiming for possible future applications including quantum computing, electronic devices and so on, leading to continuous discoveries of new materials and phenomena. This is part of our research project to explore the novel functionality in quantum magnets. Here we propose to investigate magnetic excitations of a newly synthesized honeycomb-based multiferroic candidate with inelastic neutron scattering to determine dominant exchange couplings and parameterize the minimal spin model to explain its magnetism. Our aim is to understand the role of magnetism with emerging complex polarisations, purposing to have good ideas for designing new functional multiferroic materials and applications.
DOI: 10.5286/isis.e.rb1920692-1
title: Spin dynamics of a rare quantum magnet with a combined type-II multiferroic and a linear magnetoelectric coupling

description: Novel functionality in condensed matter physics is one of fastest developing fields, aiming for possible future applications including quantum computing, electronic devices and so on, leading to continuous discoveries of new materials and phenomena. This is part of our research project to explore the novel functionality in quantum magnets. Here we propose to investigate magnetic excitations of a newly synthesized honeycomb-based multiferroic candidate with inelastic neutron scattering to determine dominant exchange couplings and parameterize the minimal spin model to explain its magnetism. Our aim is to understand the role of magnetism with emerging complex polarisations, purposing to have good ideas for designing new functional multiferroic materials and applications.
DOI: 10.5286/isis.e.rb2000026
title: Rapid Access: Determination of the Magnetic Properties of LaFeAs1-xPxO Across Multiple Magnetic Regimes

description: Using NMR spectroscopy, the possible existence of a new magnetic state has been suggested to exist in LaFeAs1-xPxO (for x near 0.5); however, other groups failed to detect any evidence for its existence. Previous measurements we performed on WISH (ISIS) failed to provide signs of magnetic order in our relatively small 1 - 4 g samples. It wasn't until fast preliminary measurements collected on EMU (in less than an hour back in 2018) that proved the bulk magnetic properties of one of these intermediate samples. To our surprise, recent WISH measurements we performed on larger samples in June 2019 demonstrates that all samples with x &lt; 0.9 are long range magnetic with a total of three different magnetic structures strongly competing with superconductivity. EMU measurements are needed to complete the phase diagram. A PhD dissertation and a high impact publication are anticipated.
DOI: 10.5286/isis.e.rb2000026-1
title: Rapid Access: Determination of the Magnetic Properties of LaFeAs1-xPxO Across Multiple Magnetic Regimes

description: Using NMR spectroscopy, the possible existence of a new magnetic state has been suggested to exist in LaFeAs1-xPxO (for x near 0.5); however, other groups failed to detect any evidence for its existence. Previous measurements we performed on WISH (ISIS) failed to provide signs of magnetic order in our relatively small 1 - 4 g samples. It wasn't until fast preliminary measurements collected on EMU (in less than an hour back in 2018) that proved the bulk magnetic properties of one of these intermediate samples. To our surprise, recent WISH measurements we performed on larger samples in June 2019 demonstrates that all samples with x &lt; 0.9 are long range magnetic with a total of three different magnetic structures strongly competing with superconductivity. EMU measurements are needed to complete the phase diagram. A PhD dissertation and a high impact publication are anticipated.
DOI: 10.25919/5d447bfaaa2d5
title: Parkes observations for project P1006 semester 2019APRS_06

description: We propose observations with the ultra-wide-bandwidth, low-frequency receiver installed at the Parkes telescope to carry out the first ultra-high time resolution, coherently de-dispersed search for pulsars in globular clusters. We have chosen the 11 most likely clusters for new discoveries. These clusters all have at least three pulsars already known allowing us to have a precise estimate of the pulsar dispersion measures and our observations will provide the first ultra-wide-bandwidth observation of these pulsars. Our observing strategy will enable us to search for extremely narrow pulsars and even pulsars with sub-millisecond periods.
DOI: 10.5286/isis.e.rb1920069
title: Exploring local ion diffusion dynamics in hydrated LiRAPs by muSR

description: Many of the devices currently used for energy storage (e.g., batteries, solar cells) use liquid electrolytes that are known to pose a serious fire and safety risk. In recent years, a number of solid materials have been suggested as possible replacements, however, very little is currently known regarding how these materials function and, in particular, how the ions move within the material. Studies are therefore needed to understand the relationship between structure and functionality. This muon proposal aims to characterise a new class of solid electrolytes, hydrated Li-rich anti-perovskites (LiRAPs), to determine their ion mobility at different temperatures and understand how their performance can be improved.
DOI: 10.5286/isis.e.rb1920069-1
title: Exploring local ion diffusion dynamics in hydrated LiRAPs by muSR

description: Many of the devices currently used for energy storage (e.g., batteries, solar cells) use liquid electrolytes that are known to pose a serious fire and safety risk. In recent years, a number of solid materials have been suggested as possible replacements, however, very little is currently known regarding how these materials function and, in particular, how the ions move within the material. Studies are therefore needed to understand the relationship between structure and functionality. This muon proposal aims to characterise a new class of solid electrolytes, hydrated Li-rich anti-perovskites (LiRAPs), to determine their ion mobility at different temperatures and understand how their performance can be improved.
DOI: 10.5286/isis.e.rb1920282
title: Inelastic Neutron Scattering (TOSCA ) Studies of Mordenite Catalysts for the Carbonylation of Dimethylether

description: This proposal will measure vibrational spectra from a series of catalyst samples produced from a pilot plant reactor at Tianjin University China converting dimethylether to methylacetate. The project is supported by a Royal Society International Collaboration grant between Tianjin and Aberdeen University. Our objectives are to characterise the hydrocarbon species present in the zeolite at different stages in the catalyst lifetime. We hope to understand the reasons why the zeolite catalyst loses activity over a period of hours, and why this deactivation can be inhibited by pretreatment of the catalyst with pyridine. To obtain a full vibrational spectrum 100-4000 cm-1 we need to measure each sample on both TOSCA and MAPS.
DOI: 10.5286/isis.e.rb1920282-1
title: Inelastic Neutron Scattering (TOSCA ) Studies of Mordenite Catalysts for the Carbonylation of Dimethylether

description: This proposal will measure vibrational spectra from a series of catalyst samples produced from a pilot plant reactor at Tianjin University China converting dimethylether to methylacetate. The project is supported by a Royal Society International Collaboration grant between Tianjin and Aberdeen University. Our objectives are to characterise the hydrocarbon species present in the zeolite at different stages in the catalyst lifetime. We hope to understand the reasons why the zeolite catalyst loses activity over a period of hours, and why this deactivation can be inhibited by pretreatment of the catalyst with pyridine. To obtain a full vibrational spectrum 100-4000 cm-1 we need to measure each sample on both TOSCA and MAPS.
DOI: 10.5286/isis.e.rb1920317
title: Investigation of the Dynamic Mechanism of Xylanase by QENS

description: In this proposal we will pioneer the use of QENS in combination with molecular biology mutagenesis and in silico design to guide the re-engineering of a glycoside hydrolase, xylanase, to allow for more efficient hydrolysis of hemicellulose to xylose over a broader range of conditions. Our previous X-ray and neutron crystallography results show that a catalytic active glutamate residue has alternate conformations to transfer proton to cleave the glycosidic bond. This activity is temperature and pH dependent. However, crystallography could only give snapshot information of structure, not dynamics. Therefore we aim to study how the activity is associated with temperature and pH using QENS. This information will be used to guide in silico enzyme engineerin leading to rational mutagenesis studies in order to increase catalytic activity at higher temperature and pH.
DOI: 10.5286/isis.e.rb1920317-1
title: Investigation of the Dynamic Mechanism of Xylanase by QENS

description: In this proposal we will pioneer the use of QENS in combination with molecular biology mutagenesis and in silico design to guide the re-engineering of a glycoside hydrolase, xylanase, to allow for more efficient hydrolysis of hemicellulose to xylose over a broader range of conditions. Our previous X-ray and neutron crystallography results show that a catalytic active glutamate residue has alternate conformations to transfer proton to cleave the glycosidic bond. This activity is temperature and pH dependent. However, crystallography could only give snapshot information of structure, not dynamics. Therefore we aim to study how the activity is associated with temperature and pH using QENS. This information will be used to guide in silico enzyme engineerin leading to rational mutagenesis studies in order to increase catalytic activity at higher temperature and pH.