cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010694
title: Probing the kinetics of the formation of lipid, peptide and DNA/siRNA complexes intended for gene delivery

description: Complexes prepared from cationic, dichain lipid (L) vesicles, positively charged polymers (P) and negatively charged nucleic acid DNA (D) or siRNA (R), known as LPDs and LPRs respectively have emerged as major non-viral gene delivery vehicles. Despite the wide spread interest in such complexes as delivery vehicles, little is known about the kinetics of their formation. The present study proposes to use stopped flow SANS measurements in combination with contrast variation to probe the mechanism of formation of the LPD and LPR complexes. An understanding of the mechanisms behind the formation of LPDs and LPRs will allow the production of more homogeneous, efficient delivery systems in a pharmaceutically acceptable form.
DOI: 10.25345/c5jn4j
title: MassIVE MSV000086435 - High-throughput metabolomics predicts drug-target relationships for eukaryotic membrane proteins
title: Saccharomyces cerevisiae were treated with 1280 drugs from the Prestwick chemical library. Intracellular polar metabolite extracts were collected and measured in negative mode by flow injection analysis. In addition, intracellular metabolite extracts were collected and measured for inducible overexpression mutants in yeast membrane proteins.
DOI: 10.5286/isis.e.rb2010694-1
title: Probing the kinetics of the formation of lipid, peptide and DNA/siRNA complexes intended for gene delivery

description: Complexes prepared from cationic, dichain lipid (L) vesicles, positively charged polymers (P) and negatively charged nucleic acid DNA (D) or siRNA (R), known as LPDs and LPRs respectively have emerged as major non-viral gene delivery vehicles. Despite the wide spread interest in such complexes as delivery vehicles, little is known about the kinetics of their formation. The present study proposes to use stopped flow SANS measurements in combination with contrast variation to probe the mechanism of formation of the LPD and LPR complexes. An understanding of the mechanisms behind the formation of LPDs and LPRs will allow the production of more homogeneous, efficient delivery systems in a pharmaceutically acceptable form.
DOI: 10.5286/isis.e.rb2010533
title: Antiferroelectric Tetragonal Tungsten Bronzes

description: Recently the presence of two phase transitions on heating in K2(La0.75Pr0.25)Nb5O15 has been observed and have been assigned to successive ferro- (FE) to antiferro- (AFE) to para-electric (PE) transformations. This composition is of particular interest as the room temperature AFE phase results in a high and voltage stable permittivity (and hence capacitance) under large applied electric fields. As a result these materials can be utilised in high capacitance, high voltage multi-layer capacitors (MLCs). We aim to determine the underlying crystallographic changes associated with the FE-AFE transition, and also an in-situ study of MLCs fabricated from this material under an applied electric field. These studies will give us an atom-scale insight into the origin of the properties of this materials allowing development of further materials for application as high voltage capacitors.
DOI: 10.5286/isis.e.rb2010533-1
title: Antiferroelectric Tetragonal Tungsten Bronzes

description: Recently the presence of two phase transitions on heating in K2(La0.75Pr0.25)Nb5O15 has been observed and have been assigned to successive ferro- (FE) to antiferro- (AFE) to para-electric (PE) transformations. This composition is of particular interest as the room temperature AFE phase results in a high and voltage stable permittivity (and hence capacitance) under large applied electric fields. As a result these materials can be utilised in high capacitance, high voltage multi-layer capacitors (MLCs). We aim to determine the underlying crystallographic changes associated with the FE-AFE transition, and also an in-situ study of MLCs fabricated from this material under an applied electric field. These studies will give us an atom-scale insight into the origin of the properties of this materials allowing development of further materials for application as high voltage capacitors.
DOI: 10.5286/isis.e.rb2010533-2
title: Antiferroelectric Tetragonal Tungsten Bronzes

description: Recently the presence of two phase transitions on heating in K2(La0.75Pr0.25)Nb5O15 has been observed and have been assigned to successive ferro- (FE) to antiferro- (AFE) to para-electric (PE) transformations. This composition is of particular interest as the room temperature AFE phase results in a high and voltage stable permittivity (and hence capacitance) under large applied electric fields. As a result these materials can be utilised in high capacitance, high voltage multi-layer capacitors (MLCs). We aim to determine the underlying crystallographic changes associated with the FE-AFE transition, and also an in-situ study of MLCs fabricated from this material under an applied electric field. These studies will give us an atom-scale insight into the origin of the properties of this materials allowing development of further materials for application as high voltage capacitors.
DOI: 10.5286/isis.e.rb2010533-3
title: Antiferroelectric Tetragonal Tungsten Bronzes

description: Recently the presence of two phase transitions on heating in K2(La0.75Pr0.25)Nb5O15 has been observed and have been assigned to successive ferro- (FE) to antiferro- (AFE) to para-electric (PE) transformations. This composition is of particular interest as the room temperature AFE phase results in a high and voltage stable permittivity (and hence capacitance) under large applied electric fields. As a result these materials can be utilised in high capacitance, high voltage multi-layer capacitors (MLCs). We aim to determine the underlying crystallographic changes associated with the FE-AFE transition, and also an in-situ study of MLCs fabricated from this material under an applied electric field. These studies will give us an atom-scale insight into the origin of the properties of this materials allowing development of further materials for application as high voltage capacitors.
DOI: 10.5286/isis.e.rb2010365
title: Investigation of the cation distribution and microstructure in nanostructured ferrites

description: Nanostructured materials are useful in new technological applications, such as MRI contrast agents, drug delivery and exchange-spring magnets. Highly relevant materials are the magnetic spinel ferrites since they are inexpensive, while offering good magnetic properties. The magnetic properties of these can be tuned by changing the composition and the distribution of the cations on the different crystallographic sites in the crystal. In a nanocomposite, the spinel ferrite is combined with a hard magnetic compound, each contributing to a material with enhanced magnetic properties. In this experiment, we investigate the cations redistribution in the material during heating to and cooling from high temperatures and the stability of the nanocomposite.
DOI: 10.5286/isis.e.rb2010365-1
title: Investigation of the cation distribution and microstructure in nanostructured ferrites

description: Nanostructured materials are useful in new technological applications, such as MRI contrast agents, drug delivery and exchange-spring magnets. Highly relevant materials are the magnetic spinel ferrites since they are inexpensive, while offering good magnetic properties. The magnetic properties of these can be tuned by changing the composition and the distribution of the cations on the different crystallographic sites in the crystal. In a nanocomposite, the spinel ferrite is combined with a hard magnetic compound, each contributing to a material with enhanced magnetic properties. In this experiment, we investigate the cations redistribution in the material during heating to and cooling from high temperatures and the stability of the nanocomposite.
DOI: 10.5286/isis.e.rb2010542
title: Investigation of a potential triangular quantum spin-liquid

description: The frustration of triangular antiferromagnets with isotropic interactions leads to a variety of ground states even for classical spins.Forconstellations of exchange parameters where several classical phases are degenerate, quantum spins may realize a quantum spin liquidstate with lower energy.From symmetry analysis, 15 different types of quantum spin liquid ground states have been classified for thetriangular lattice. Recently a new spin 1/2 triangular antiferromagnet has been synthesized, CuSb2O6 in the metastable trigonal rosiaite structure.It displays neither long-range magnetic order nor glassy freezing down to 1.5K and has dominantly antiferromagnetic correlations.Preliminary IN5 spectra show spin-liquid like steep excitations out to 7meV, and spinon-like lobes below 1 meV.We would like to study the low-energy range of the spectra on LET at dilution temperatures.
DOI: 10.5286/isis.e.rb2010542-1
title: Investigation of a potential triangular quantum spin-liquid

description: The frustration of triangular antiferromagnets with isotropic interactions leads to a variety of ground states even for classical spins.Forconstellations of exchange parameters where several classical phases are degenerate, quantum spins may realize a quantum spin liquidstate with lower energy.From symmetry analysis, 15 different types of quantum spin liquid ground states have been classified for thetriangular lattice. Recently a new spin 1/2 triangular antiferromagnet has been synthesized, CuSb2O6 in the metastable trigonal rosiaite structure.It displays neither long-range magnetic order nor glassy freezing down to 1.5K and has dominantly antiferromagnetic correlations.Preliminary IN5 spectra show spin-liquid like steep excitations out to 7meV, and spinon-like lobes below 1 meV.We would like to study the low-energy range of the spectra on LET at dilution temperatures.
DOI: 10.5286/isis.e.rb2070016
title: Verification of long-range antiferromagnetic ordering in organic antiferromagnets lambda-D2GaCl4 (D=ET, BEST) using pulsed muSR

description: The organic superconductor lambda-(BETS)2GaCl4 shows unconventional superconducting properties. To investigate the mechanism of superconductivity, we have studied the antiferromagnetic insulating phase near the superconducting phase. We recently performed the muSR experiment in PSI on lambda-D2GaCl4 (D = ET, BEST). The former shows antiferromagnetic ordering below 13 K revealed by NMR, but no clear muon precession signal was observed. This might be due to a small internal field at the muon site for this material, whereas a phase separation scenario could be expected in both materials. To reveal this possibility, we propose the muSR study of lambda-D2GaCl4 (D = ET, BEST) using pulsed muon source in ISIS facility, This experiment will give us to clarify the nature of the adjacent antiferromagnetic phase.
DOI: 10.5286/isis.e.rb2070016-1
title: Verification of long-range antiferromagnetic ordering in organic antiferromagnets lambda-D2GaCl4 (D=ET, BEST) using pulsed muSR

description: The organic superconductor lambda-(BETS)2GaCl4 shows unconventional superconducting properties. To investigate the mechanism of superconductivity, we have studied the antiferromagnetic insulating phase near the superconducting phase. We recently performed the muSR experiment in PSI on lambda-D2GaCl4 (D = ET, BEST). The former shows antiferromagnetic ordering below 13 K revealed by NMR, but no clear muon precession signal was observed. This might be due to a small internal field at the muon site for this material, whereas a phase separation scenario could be expected in both materials. To reveal this possibility, we propose the muSR study of lambda-D2GaCl4 (D = ET, BEST) using pulsed muon source in ISIS facility, This experiment will give us to clarify the nature of the adjacent antiferromagnetic phase.
DOI: 10.5286/isis.e.rb2010552
title: Protonic properties and structure of Ba0.5Sr0.5(Co0.7Fe0.3)0.6875W0.3125O3 (BSCFW); a self-assembled perovskite composite cathode for PCFCs

description: Energy barriers and mechanisms involved in H+ transport in proton conducting oxides are understood with adequate knowledge of the structure. Ba0.5Sr0.5(Co0.7Fe0.3)0.6875W0.3125O3 (BSCFW) is a single- (SP) and double-perovskite (DP) composite material that displays promising hydration behaviour and power density as a potential cathode for protonic ceramic fuel cell (PCFC). Preferential hydration of the SP is seen through preliminary XRD experiments. We aim to characterise this material in situ under dry and humid (D2O) atmosphere at room temperature and 500 °C, comparable to operating conditions, locating structural deuterium through Fourier analysis which is possible only through having access to high quality neutron data. This understanding will provide insight in to the kinetic mechanisms leading to proton conduction and a design rationale for more efficient PCFC electrode materials.
DOI: 10.5286/isis.e.rb2010552-1
title: Protonic properties and structure of Ba0.5Sr0.5(Co0.7Fe0.3)0.6875W0.3125O3 (BSCFW); a self-assembled perovskite composite cathode for PCFCs

description: Energy barriers and mechanisms involved in H+ transport in proton conducting oxides are understood with adequate knowledge of the structure. Ba0.5Sr0.5(Co0.7Fe0.3)0.6875W0.3125O3 (BSCFW) is a single- (SP) and double-perovskite (DP) composite material that displays promising hydration behaviour and power density as a potential cathode for protonic ceramic fuel cell (PCFC). Preferential hydration of the SP is seen through preliminary XRD experiments. We aim to characterise this material in situ under dry and humid (D2O) atmosphere at room temperature and 500 °C, comparable to operating conditions, locating structural deuterium through Fourier analysis which is possible only through having access to high quality neutron data. This understanding will provide insight in to the kinetic mechanisms leading to proton conduction and a design rationale for more efficient PCFC electrode materials.
DOI: 10.5286/isis.e.rb2010636
title: Alkali ion diffusion in renewably-sourced carbon fibres

description: The economic and practical limitations of lithium ion batteries has led to a push for sodium and potassium ion batteries. Similarly, there are economic and environmental benefits to replacing the graphite anode with biomass-derived carbon - and, even better, carbon fibres, which can serve as anode, current collector, and carry mechanical load. The development of such electrodes requires a fundamental understanding of the mechanics involved in ion insertion. In particular, it is advantageous to have fast ion diffusion, permitting larger currents. We wish to undertake a comprehensive comparison of ion diffusion for the three lightest alkali ions within electrospun carbon fibres.
DOI: 10.5286/isis.e.rb2010636-1
title: Alkali ion diffusion in renewably-sourced carbon fibres

description: The economic and practical limitations of lithium ion batteries has led to a push for sodium and potassium ion batteries. Similarly, there are economic and environmental benefits to replacing the graphite anode with biomass-derived carbon - and, even better, carbon fibres, which can serve as anode, current collector, and carry mechanical load. The development of such electrodes requires a fundamental understanding of the mechanics involved in ion insertion. In particular, it is advantageous to have fast ion diffusion, permitting larger currents. We wish to undertake a comprehensive comparison of ion diffusion for the three lightest alkali ions within electrospun carbon fibres.
DOI: 10.5286/isis.e.rb2010395-1
title: New perovskite CeBaMn2O6: A potential target system to achieve magnetoelectric coupling

description: We have synthesised the new perovskite CeBaMn2O6, which based in our enumeration of possible magnetoelectric coupling in perovskites is a potential target system to exhibit multiferroic properties. The data from WISH will allow us to refine the magnetic structure and assign a magnetic space group. This will reveal if there is any induced polarisation by the magnetic ordering (through considering the magnetic symmetry). Additionally, patterns collected above the magnetic ordering temperature will allow us to precisely refine the atomic displacement associated with Ce/Ba cation ordering, any octahedral rotations and orbital ordering that is expected to couple to the magnetic structure. The results will lead a broader understanding of the interplay between chemical and magnetic and orbital ordering degrees of freedom and how they may be coupled to produce novel magnetoelectric couplings.
DOI: 10.5286/isis.e.rb2000159
title: Crystal field levels in scandium-doped spin ice

description: We have determined the defect structure of scandium-doped holmium titanate using diffuse neutron scattering, and we find evidence for charge-compensating oxygen vacancies on so-called O(1) sites. According to crystal electric field (CEF) calculations using a point charge model, an O(1) vacancy is expected to lead to the four neighbouring holmium ions adopting a non-magnetic singlet ground state. We now propose to test our theoretical predictions of the CEF energy levels of scandium-doped holmium titanate using inelastic neutron scattering on MARI. Determination of the CEF energy level scheme will allow us to understand the effects of doping on the single-ion magnetism, and to simulate the collective behaviour of this novel magnetic system.
DOI: 10.5286/isis.e.rb2000159-1
title: Crystal field levels in scandium-doped spin ice

description: We have determined the defect structure of scandium-doped holmium titanate using diffuse neutron scattering, and we find evidence for charge-compensating oxygen vacancies on so-called O(1) sites. According to crystal electric field (CEF) calculations using a point charge model, an O(1) vacancy is expected to lead to the four neighbouring holmium ions adopting a non-magnetic singlet ground state. We now propose to test our theoretical predictions of the CEF energy levels of scandium-doped holmium titanate using inelastic neutron scattering on MARI. Determination of the CEF energy level scheme will allow us to understand the effects of doping on the single-ion magnetism, and to simulate the collective behaviour of this novel magnetic system.
DOI: 10.5286/isis.e.rb2010813
title: Confirmation of magnetic structure of Weyl Semimetal Eu3PbO in applied magnetic field

description: Materials with nontrivial topological properties (analogous in a general way to the familiar Moebius strip) are a hot topic in current solid state physics. In particular new materials showing different classes of topologically nontrivial electronic states are intensively searched for. The antiperovskite Eu3PbO may display a new type of Weyl point in the electronic structure (namely a 'magnetic Weyl point') and we have previously used polycrystalline sampled on WISH to investigate this hypothesis. However, our current data cannot distinguish between the collinear and noncollinear models we have identified. We therefore require single crystal data to discriminate between these two candidate models and confirm the magnetic phases of Eu3PbO, which is critical for understanding its intrugiong and topical topological properties as a function of field.
DOI: 10.5286/isis.e.rb2010813-1
title: Confirmation of magnetic structure of Weyl Semimetal Eu3PbO in applied magnetic field

description: Materials with nontrivial topological properties (analogous in a general way to the familiar Moebius strip) are a hot topic in current solid state physics. In particular new materials showing different classes of topologically nontrivial electronic states are intensively searched for. The antiperovskite Eu3PbO may display a new type of Weyl point in the electronic structure (namely a 'magnetic Weyl point') and we have previously used polycrystalline sampled on WISH to investigate this hypothesis. However, our current data cannot distinguish between the collinear and noncollinear models we have identified. We therefore require single crystal data to discriminate between these two candidate models and confirm the magnetic phases of Eu3PbO, which is critical for understanding its intrugiong and topical topological properties as a function of field.
DOI: 10.5286/isis.e.rb2010906
title: Distribution of Modifier Cations and Network Polyhedra in Alkali Borogermanate Glasses

description: Alkali borogermanate glasses are topologically complex, in that [BOn] (n = 3, 4) and [GeOn] (n = 4, 5, 6) polyhedra may all coexist. Equilibrium between these structural units has significant influence on optical properties such as optical nonlinearity and lasing ions solubility. In previous work on the lithium and potassium systems, we used neutron diffraction and NMR to show that lithium borogermanate behaves like lithium borosilicate, and potassium borogermanate like sodium borosilicate. We now wish to repeat the study with the rubidium system where we wish to examine the coordination number models for borogermanate glasses when modified by much larger Group I rubidium cation.
DOI: 10.5286/isis.e.rb2010906-1
title: Distribution of Modifier Cations and Network Polyhedra in Alkali Borogermanate Glasses

description: Alkali borogermanate glasses are topologically complex, in that [BOn] (n = 3, 4) and [GeOn] (n = 4, 5, 6) polyhedra may all coexist. Equilibrium between these structural units has significant influence on optical properties such as optical nonlinearity and lasing ions solubility. In previous work on the lithium and potassium systems, we used neutron diffraction and NMR to show that lithium borogermanate behaves like lithium borosilicate, and potassium borogermanate like sodium borosilicate. We now wish to repeat the study with the rubidium system where we wish to examine the coordination number models for borogermanate glasses when modified by much larger Group I rubidium cation.
DOI: 10.5286/isis.e.rb2010594
title: The Magnetic excitation spectrum in the two dimensional van-der-Waals ferromagnetic - VI3:

description: VI3 consists of ferromagnetic S=1 ions coupled on a two-dimensional honeycomb lattice with the layers held together by van der Waals forces. This proposal aims to investigate the magnetic excitations using the MAPS spectrometer. The goal is to map out the dispersion and also search for spin-orbit transitions given that Vanadium has an orbital degeneracy. MAPS is requested given the low-angle detectors are well suited for studying ferromagnetic fluctuations. The data will be combined with an ongoing effort using the MACS cold triple-axis spectrometer. We request 6 days of time.
DOI: 10.5286/isis.e.rb2010594-1
title: The Magnetic excitation spectrum in the two dimensional van-der-Waals ferromagnetic - VI3:

description: VI3 consists of ferromagnetic S=1 ions coupled on a two-dimensional honeycomb lattice with the layers held together by van der Waals forces. This proposal aims to investigate the magnetic excitations using the MAPS spectrometer. The goal is to map out the dispersion and also search for spin-orbit transitions given that Vanadium has an orbital degeneracy. MAPS is requested given the low-angle detectors are well suited for studying ferromagnetic fluctuations. The data will be combined with an ongoing effort using the MACS cold triple-axis spectrometer. We request 6 days of time.