cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010210
title: Structural modification induced by Gold Nanoparticles on Lipid Bilayers

description: The terapeutic efficiency and citotoxicity of inorganic nanoparticles (NP) for nanomedicine is related to NP interactions with biological interfaces like cell membranes. Synthetic model membranes are ideal platforms of controlled composition and geometry to study phenomena at the nano-bio interface. We recently investigated the interaction of the most common inorganic NP, citrated gold nanoparticles (AuNP), with synthetic lipid vesicles of different compositions, leading to their 2D aggregation on the liposomal surface. We recently performed SAXS at ESRF, finding that size and shape of AuNPs-aggregates markedly depend on the physicochemical features of the target membrane. The aim of the proposed SANS experiment is to complete the structural characterization of liposomes-AuNP hybrids, using neutrons instead of X-rays, to better highlight the lipid component of the liposomes-AuNP hybrids.
DOI: 10.5286/isis.e.rb2010210-1
title: Structural modification induced by Gold Nanoparticles on Lipid Bilayers

description: The terapeutic efficiency and citotoxicity of inorganic nanoparticles (NP) for nanomedicine is related to NP interactions with biological interfaces like cell membranes. Synthetic model membranes are ideal platforms of controlled composition and geometry to study phenomena at the nano-bio interface. We recently investigated the interaction of the most common inorganic NP, citrated gold nanoparticles (AuNP), with synthetic lipid vesicles of different compositions, leading to their 2D aggregation on the liposomal surface. We recently performed SAXS at ESRF, finding that size and shape of AuNPs-aggregates markedly depend on the physicochemical features of the target membrane. The aim of the proposed SANS experiment is to complete the structural characterization of liposomes-AuNP hybrids, using neutrons instead of X-rays, to better highlight the lipid component of the liposomes-AuNP hybrids.
DOI: 10.5286/isis.e.rb2010541
title: Newly engineered hydrophobic and hydrophilic aluminium oxide nanoparticles for enhanced oil recovery applications

description: Enhanced oil recovery (EOR) is common practice worldwide. Although there are emphasises on developing renewable energy, oil is still primary source of energy and therefore the goal of thisresearch is to find safer, more environmentally friendly and cost-effective chemicals for EOR. The aim of this work is to investigate the effect of hydrophilic and hydrophobic aluminium oxidenanoparticles and their interactions with oil (D-hexadecane) on a silicon substrate. Additionally, two surfactants will be added to the nanoparticles (NPs) dispersion and these have a twofoldpurposes: i) surfactants facilitate oil mobilisation by lowering of capillary forces due to a reduction of interfacial tension between oil and the aqueous phase and ii) the hydrophobic NPs needcolloidal stabilisation in the aqueous medium.
DOI: 10.5286/isis.e.rb2010541-1
title: Newly engineered hydrophobic and hydrophilic aluminium oxide nanoparticles for enhanced oil recovery applications

description: Enhanced oil recovery (EOR) is common practice worldwide. Although there are emphasises on developing renewable energy, oil is still primary source of energy and therefore the goal of thisresearch is to find safer, more environmentally friendly and cost-effective chemicals for EOR. The aim of this work is to investigate the effect of hydrophilic and hydrophobic aluminium oxidenanoparticles and their interactions with oil (D-hexadecane) on a silicon substrate. Additionally, two surfactants will be added to the nanoparticles (NPs) dispersion and these have a twofoldpurposes: i) surfactants facilitate oil mobilisation by lowering of capillary forces due to a reduction of interfacial tension between oil and the aqueous phase and ii) the hydrophobic NPs needcolloidal stabilisation in the aqueous medium.
DOI: 10.5286/isis.e.rb2000239
title: High-pressure studies of ammonium perchlorate

description: This study will explore the effects of pressure on the structure of ammonium perchlorate, an oxidiser that is widely used in solid rocket propellants. Neutron diffraction will allow us to study the behaviour of the ammoniun ions and how they interact with perchlorate ions in the crystal lattice. The experiments will also shed light on the phase transitions near 4 GPa, 7 GPa, and 10 GPa. The experimental results will be compared with the results of computational studies and an ongoing, complementary single crystal X-ray diffraction study. The experiment will provide excellent training in high-pressure neutron diffraction for a PhD student recently appointed as an ISIS Facility Development Studentship. The results of this study will be of substantial interest to those modelling the behaviour and performance of this material, especially under shock and pre-detonation conditions.
DOI: 10.5286/isis.e.rb2000239-1
title: High-pressure studies of ammonium perchlorate

description: This study will explore the effects of pressure on the structure of ammonium perchlorate, an oxidiser that is widely used in solid rocket propellants. Neutron diffraction will allow us to study the behaviour of the ammoniun ions and how they interact with perchlorate ions in the crystal lattice. The experiments will also shed light on the phase transitions near 4 GPa, 7 GPa, and 10 GPa. The experimental results will be compared with the results of computational studies and an ongoing, complementary single crystal X-ray diffraction study. The experiment will provide excellent training in high-pressure neutron diffraction for a PhD student recently appointed as an ISIS Facility Development Studentship. The results of this study will be of substantial interest to those modelling the behaviour and performance of this material, especially under shock and pre-detonation conditions.
DOI: 10.5286/isis.e.rb2010579
title: Measurement of the neutron-induced cross sections of relevant materials for boron neutron capture therapy

description: We propose a series of measurements to characterise the neutronic spectroscopic response of 4-Borono-Phenylalanine and Gadopentetic Acid, two molecules of interest in the framework of Boron Neutron Capture Therapy (BNCT) and Magnetic Resonance Imaging. BNCT is an irradiation technique whereby a thermal neutron is captured, and the heavy particles (helium and lithium nuclei) consequently emitted are used to locally irradiate cancer cells. For each of the two molecules, we will measure the total neutron scattering cross section, and the prompt-gamma emission spectra. The former is of interest to benchmark Monte-Carlo computer simulations optimising irradiation procedures in the cancer treatment, the latter provides information on the gamma rays emitted during thermal neutron absorption that, contrarily to the heavy particles released by boron, can damage neighbouring healthy cells.
DOI: 10.5286/isis.e.rb2010579-1
title: Measurement of the neutron-induced cross sections of relevant materials for boron neutron capture therapy

description: We propose a series of measurements to characterise the neutronic spectroscopic response of 4-Borono-Phenylalanine and Gadopentetic Acid, two molecules of interest in the framework of Boron Neutron Capture Therapy (BNCT) and Magnetic Resonance Imaging. BNCT is an irradiation technique whereby a thermal neutron is captured, and the heavy particles (helium and lithium nuclei) consequently emitted are used to locally irradiate cancer cells. For each of the two molecules, we will measure the total neutron scattering cross section, and the prompt-gamma emission spectra. The former is of interest to benchmark Monte-Carlo computer simulations optimising irradiation procedures in the cancer treatment, the latter provides information on the gamma rays emitted during thermal neutron absorption that, contrarily to the heavy particles released by boron, can damage neighbouring healthy cells.
DOI: 10.5286/isis.e.rb2010371
title: Neutron Diffraction Studies of single crystal Co-doped CeCu2Ge2

description: A systematic study of physical properties on Ce(Cu_{1-x}Co_x)_2Ge_2 reveals that the AFM ground state of CeCu2Ge2 can be continuously suppressed by Co doping and NFL type of behavior is seen around the critical concentration x_c ∼ 0.6. The TN vs x phase diagram shows two distinct regimes [Fig. 1(a)] that might be related to two different kinds of magnetic ordering T_N1 and T_N2. This result is very similar to the high-pressure experiment on pure CeCu2Ge2 where two different magnetically ordered phases are observed in different pressure ranges followed by a superconducting phase. We presumed that the different slopes of T_N vs x in different concentrations range are due to the different kinds of magnetic ordering, which requires further confirmation. We, therefore, propose to carry out elastic powder neutron diffraction studies on the single-crystalline sample of 5% Co-doped CeCu2Ge2.
DOI: 10.5286/isis.e.rb2010371-1
title: Neutron Diffraction Studies of single crystal Co-doped CeCu2Ge2

description: A systematic study of physical properties on Ce(Cu_{1-x}Co_x)_2Ge_2 reveals that the AFM ground state of CeCu2Ge2 can be continuously suppressed by Co doping and NFL type of behavior is seen around the critical concentration x_c ∼ 0.6. The TN vs x phase diagram shows two distinct regimes [Fig. 1(a)] that might be related to two different kinds of magnetic ordering T_N1 and T_N2. This result is very similar to the high-pressure experiment on pure CeCu2Ge2 where two different magnetically ordered phases are observed in different pressure ranges followed by a superconducting phase. We presumed that the different slopes of T_N vs x in different concentrations range are due to the different kinds of magnetic ordering, which requires further confirmation. We, therefore, propose to carry out elastic powder neutron diffraction studies on the single-crystalline sample of 5% Co-doped CeCu2Ge2.
DOI: 10.5286/isis.e.rb1920607
title: OH- and water dynamics in ad hoc synthetized Anionic Exchange Membranes (AEMs)

description: Over the past few decades, fuel cell research has grown exponentially with the continued development of new materials and systems for automotive and stationary applications. Most interest has focused on polymer electrolyte (both cation -CEM- and anion -AEM- exchange membranes) membrane fuel cells because of their wider applications compared to other types of fuel cells. Albeit intensive efforts have been made to develop and improve AEMs membranes, they still display poor ionic conductivity. This is also because, to date, very little is known on the relation between OH- transport and water dynamics. In this proposal, we want to investigate the OH- and water dynamics in ad hoc synthetized AEM membranes by QENS in function of hydration and temperature with the aim to unravel the transport basic mechanisms and with a view to advancing towardshelp designing advanced higher performance AEMs.
DOI: 10.5286/isis.e.rb1920607-1
title: OH- and water dynamics in ad hoc synthetized Anionic Exchange Membranes (AEMs)

description: Over the past few decades, fuel cell research has grown exponentially with the continued development of new materials and systems for automotive and stationary applications. Most interest has focused on polymer electrolyte (both cation -CEM- and anion -AEM- exchange membranes) membrane fuel cells because of their wider applications compared to other types of fuel cells. Albeit intensive efforts have been made to develop and improve AEMs membranes, they still display poor ionic conductivity. This is also because, to date, very little is known on the relation between OH- transport and water dynamics. In this proposal, we want to investigate the OH- and water dynamics in ad hoc synthetized AEM membranes by QENS in function of hydration and temperature with the aim to unravel the transport basic mechanisms and with a view to advancing towardshelp designing advanced higher performance AEMs.
DOI: 10.5286/isis.e.rb2010021
title: Studtite under pressure: implication for a geological repository

description: The generation of electricity by nuclear power has generated, and will continue to do so, highly radioactive waste and safe stewardship for hundreds of thousands of years is a socially important but technically challenging prospect. Current thinking is that spent nuclear fuels (SNF) will be buried in engineered geological repositories. Under certain conditions UO2, the major component of spent nuclear fuel, can oxidise to form studtite [UO2(O2)(H2O)2].2H2O that has unusual thermal behaviour. At ca. 200 oC this decomposes to what is suggested to be U2O7 that can react with water generating O2. This pressure buildup constitutes a safety hazard. At the depths of the repository, the pressures will change the chemistry and herein we aim to observe what happens to studtite upto 6 GPa to shed light on the stability of these phases. This work feeds into safety cases for worldwide repositories.
DOI: 10.5286/isis.e.rb2010021-1
title: Studtite under pressure: implication for a geological repository

description: The generation of electricity by nuclear power has generated, and will continue to do so, highly radioactive waste and safe stewardship for hundreds of thousands of years is a socially important but technically challenging prospect. Current thinking is that spent nuclear fuels (SNF) will be buried in engineered geological repositories. Under certain conditions UO2, the major component of spent nuclear fuel, can oxidise to form studtite [UO2(O2)(H2O)2].2H2O that has unusual thermal behaviour. At ca. 200 oC this decomposes to what is suggested to be U2O7 that can react with water generating O2. This pressure buildup constitutes a safety hazard. At the depths of the repository, the pressures will change the chemistry and herein we aim to observe what happens to studtite upto 6 GPa to shed light on the stability of these phases. This work feeds into safety cases for worldwide repositories.
DOI: 10.5286/isis.e.rb2010483
title: Effect of ligand length on energy transfer in solution-phase photon multiplication for solar energy harvesting

description: Our research aims to develop plastic films that change the colour of the light that passes through them, not by absorbing certain wavelengths of light, as a simple colour filter would, but by converting light of one wavelength to another without losing any energy. Such a film, applied to a silicon solar cell, could make it up to 30% more efficient. To do this we need to make semiconductor nanocrystals, and bring them into intimate contact with an organic semiconductor material. Small angle neutron scattering picks out the shapes of the nanoparticles, the way they interact each other, and the amount of material that coats them. This proposal focuses on the optimisation of the coating of the nanoparticle, studying how it affects the way energy is exchanged with the organic semiconductor molecules. Once optimised, we then we have to disperse these tiny nanoparticles in a clear plastic film.
DOI: 10.5286/isis.e.rb2010483-1
title: Effect of ligand length on energy transfer in solution-phase photon multiplication for solar energy harvesting

description: Our research aims to develop plastic films that change the colour of the light that passes through them, not by absorbing certain wavelengths of light, as a simple colour filter would, but by converting light of one wavelength to another without losing any energy. Such a film, applied to a silicon solar cell, could make it up to 30% more efficient. To do this we need to make semiconductor nanocrystals, and bring them into intimate contact with an organic semiconductor material. Small angle neutron scattering picks out the shapes of the nanoparticles, the way they interact each other, and the amount of material that coats them. This proposal focuses on the optimisation of the coating of the nanoparticle, studying how it affects the way energy is exchanged with the organic semiconductor molecules. Once optimised, we then we have to disperse these tiny nanoparticles in a clear plastic film.
DOI: 10.5286/isis.e.rb2010059
title: Thermal expansion and phase transition behaviour of thorium orthosilicate

description: ThSiO4 adopts the common zircon structure type, space group I41/amd, occurring naturally as the mineral thorite. On heating to ~ 1225 C, however, thorite collapses to a denser monazite-structured phase, that also occurs naturally as the mineral huttonite. This behaviour is unusual amongst the zircon-structured actinide silicates, the only other example being PaSiO4. Similarly, on compression, thorite transforms to huttonite with a negative Clapeyron slope, dP/dT. There is considerable experimental and computational disagreement regarding the thermodynamics of the transition, both in P and T, with a factor of four difference in the published transition enthalpies and transition pressure. Our proposals seek to rectify this by carrying out the first in situ studies of the transition both at high T (at room pressure) on HRPD and as a function of P and T on PEARL.
DOI: 10.5286/isis.e.rb2010059-1
title: Thermal expansion and phase transition behaviour of thorium orthosilicate

description: ThSiO4 adopts the common zircon structure type, space group I41/amd, occurring naturally as the mineral thorite. On heating to ~ 1225 C, however, thorite collapses to a denser monazite-structured phase, that also occurs naturally as the mineral huttonite. This behaviour is unusual amongst the zircon-structured actinide silicates, the only other example being PaSiO4. Similarly, on compression, thorite transforms to huttonite with a negative Clapeyron slope, dP/dT. There is considerable experimental and computational disagreement regarding the thermodynamics of the transition, both in P and T, with a factor of four difference in the published transition enthalpies and transition pressure. Our proposals seek to rectify this by carrying out the first in situ studies of the transition both at high T (at room pressure) on HRPD and as a function of P and T on PEARL.
DOI: 10.5286/isis.e.rb2010059-2
title: Thermal expansion and phase transition behaviour of thorium orthosilicate

description: ThSiO4 adopts the common zircon structure type, space group I41/amd, occurring naturally as the mineral thorite. On heating to ~ 1225 C, however, thorite collapses to a denser monazite-structured phase, that also occurs naturally as the mineral huttonite. This behaviour is unusual amongst the zircon-structured actinide silicates, the only other example being PaSiO4. Similarly, on compression, thorite transforms to huttonite with a negative Clapeyron slope, dP/dT. There is considerable experimental and computational disagreement regarding the thermodynamics of the transition, both in P and T, with a factor of four difference in the published transition enthalpies and transition pressure. Our proposals seek to rectify this by carrying out the first in situ studies of the transition both at high T (at room pressure) on HRPD and as a function of P and T on PEARL.
DOI: 10.5286/isis.e.rb2010059-3
title: Thermal expansion and phase transition behaviour of thorium orthosilicate

description: ThSiO4 adopts the common zircon structure type, space group I41/amd, occurring naturally as the mineral thorite. On heating to ~ 1225 C, however, thorite collapses to a denser monazite-structured phase, that also occurs naturally as the mineral huttonite. This behaviour is unusual amongst the zircon-structured actinide silicates, the only other example being PaSiO4. Similarly, on compression, thorite transforms to huttonite with a negative Clapeyron slope, dP/dT. There is considerable experimental and computational disagreement regarding the thermodynamics of the transition, both in P and T, with a factor of four difference in the published transition enthalpies and transition pressure. Our proposals seek to rectify this by carrying out the first in situ studies of the transition both at high T (at room pressure) on HRPD and as a function of P and T on PEARL.
DOI: 10.5286/isis.e.rb2010024
title: How Do Ion Specific Effects Operate in Ethylammonium Nitrate?

description: In recent work we have found that tetradecylpyridinium bromide (TPBr) and tetradecylpyridinium chloride (TPC) dissolved in the protic ionic liquid (IL) ethylammonium nitrate (EAN) have different critical micelle concentrations (0.130 M versus 0.163 M, respectively) and form different shaped micelles (oblate ellipsoids versus spherical, respectively). As the nitrate concentration is ~ 100x higher, it is remarkable that the surfactant counterion (Cl- or Br-) has any effect on the cmc or micelle shape. This reveals ion specific effects operate ion ILs, even when the added ion concentration is orders of magnitude less than the concentration IL ions. This experiment will examine EAN mixed with the surfactant headgroups tetrametylammonium (TMA+) or methylpyridinium (MP+) in the presence of ethylammonium chloride (EACl) or ethylammonium broimide (EABr).
DOI: 10.5286/isis.e.rb2010024-1
title: How Do Ion Specific Effects Operate in Ethylammonium Nitrate?

description: In recent work we have found that tetradecylpyridinium bromide (TPBr) and tetradecylpyridinium chloride (TPC) dissolved in the protic ionic liquid (IL) ethylammonium nitrate (EAN) have different critical micelle concentrations (0.130 M versus 0.163 M, respectively) and form different shaped micelles (oblate ellipsoids versus spherical, respectively). As the nitrate concentration is ~ 100x higher, it is remarkable that the surfactant counterion (Cl- or Br-) has any effect on the cmc or micelle shape. This reveals ion specific effects operate ion ILs, even when the added ion concentration is orders of magnitude less than the concentration IL ions. This experiment will examine EAN mixed with the surfactant headgroups tetrametylammonium (TMA+) or methylpyridinium (MP+) in the presence of ethylammonium chloride (EACl) or ethylammonium broimide (EABr).
DOI: 10.25829/idiv.3475-8-2316
title: Root traits explain plant species distributions along climatic gradients yet challenge the nature of ecological trade-offs
DOI: 10.5286/isis.e.rb2010404
title: In-situ neutron diffraction and spectroscopy studies of Zr-based amorphous thin-films

description: Superior structural and physical properties of Zr-based amorphous thin-films makes them fascinating materials for electronic, optical and bio-detector devices. In addition, high hydrogen solubility in the disordered structure of Zr-based amorphous thin-films leads to distinct physical and chemical properties and thus making them good candidates for hydrogen-related applications such as hydrogen storage, switchable windows and hydrogen purification. Magnetron sputtering enables the fabrication of Zr-based amorphous thin-films over a wider compositional range that can be achieved by conventional methods such as melt-spinning. However, magnetron-sputtered amorphous thin-films demonstrate different structural and physical properties compared to the bulk amorphous alloys, denoting the requirements for detailed structure-properties (inert/hydrogen) relationship analysis at the atomic scale.