cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010452-1
title: Characterising temperature dependent morphological changes to thermosensitive semiconducting polymer nanoparticles for drug delivery

description: We have synthesised a series of novel semiconducting polymer nanoparticles (SPNs) for photothermal therapy. Characterising changes to their morphology upon heating is crucial for elucidating how they can be applied to effectively deliver encapsulated cargo to cancer cells. Here we propose i) a series of experiments over a wide temperature range to capture the changes in SPN morphology upon heating, and ii) contrast matching experiments to study the intra-particle location of an encapsulated drug and its release profile. The results will provide key mechanistic insights into the application of these particles for cancer therapeutics which are not possible by other techniques.
DOI: 10.5286/isis.e.rb2010649
title: mRNA-lipoplexes for cancer immunotherapy

description: mRNA-based nanomedicines show a broad field of potential applications, including tumor immunotherapy. One of these approaches consists of new ionizable lipids, which complex with charged RNA via electrostatical interactions, and can facilitate cellular uptake and endosomal escape of the RNA to the cytoplasm, while demonstrating orders-of-magnitude of efficacy. For more controlled development of such nanomedicines, a better understanding of the forming mechanisms for mRNA-lipoplexes is required. We propose an experiment where lipoplexes will be assembled from cationic liposomes and mRNA at different charge ratios. We then want to utilize the advantages of SANS, such as contrast variation, to better unterstand the internal structure of these delivery systems and distinguish between structural contributions from the different components. The data gained will correlated with biological data.
DOI: 10.5286/isis.e.rb2010649-1
title: mRNA-lipoplexes for cancer immunotherapy

description: mRNA-based nanomedicines show a broad field of potential applications, including tumor immunotherapy. One of these approaches consists of new ionizable lipids, which complex with charged RNA via electrostatical interactions, and can facilitate cellular uptake and endosomal escape of the RNA to the cytoplasm, while demonstrating orders-of-magnitude of efficacy. For more controlled development of such nanomedicines, a better understanding of the forming mechanisms for mRNA-lipoplexes is required. We propose an experiment where lipoplexes will be assembled from cationic liposomes and mRNA at different charge ratios. We then want to utilize the advantages of SANS, such as contrast variation, to better unterstand the internal structure of these delivery systems and distinguish between structural contributions from the different components. The data gained will correlated with biological data.
DOI: 10.5286/isis.e.rb2010074
title: Finite size effects on the lattice dynamics - the study of gold nano-particles

description: The opportunity of analysing finite size and other topological effects on the vibrational density of states (VDOS) remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. It is only the combination of inelastic, deep inelastic neutron scattering together with neutron diffraction which opens the way here. The TOSCA experiment, proposed here, is a part of of a global study, using VESUVIO spectrometer (for the benchmarking of the partial VDOS and nuclear kinetic energy) and GEM difractometer (in the total neutron diffraction mode) with the aim to perform a critical appraisal of the structure-dynamics relations of gold nano-particles. The topology-induced changes in the VDOS of gold nanoparticles will be measured as a function of their size and local binding. The results will be benchmarked against ab initio density functional theory simulations.
DOI: 10.5286/isis.e.rb2010074-1
title: Finite size effects on the lattice dynamics - the study of gold nano-particles

description: The opportunity of analysing finite size and other topological effects on the vibrational density of states (VDOS) remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. It is only the combination of inelastic, deep inelastic neutron scattering together with neutron diffraction which opens the way here. The TOSCA experiment, proposed here, is a part of of a global study, using VESUVIO spectrometer (for the benchmarking of the partial VDOS and nuclear kinetic energy) and GEM difractometer (in the total neutron diffraction mode) with the aim to perform a critical appraisal of the structure-dynamics relations of gold nano-particles. The topology-induced changes in the VDOS of gold nanoparticles will be measured as a function of their size and local binding. The results will be benchmarked against ab initio density functional theory simulations.
DOI: 10.5286/isis.e.rb2010603
title: Presence of multilayer H2 adsorption in micro- and mesoporous carbon

description: The oxidation of H2 produces no pollutants, which makes H2 a highly preferable fuel in comparison to fossil fuels. One method of H2 storage is the physical adsorption of H2 in porous carbons. In our previous quasi-elastic neutron scattering (QENS) study we established that when H2 loading pressures were high, a faster diffusional movement appeared due to the more mobile additional H2 layers. Analysis of these motions would provide essential information about transport properties of H2 adsorbed in a porous carbon material for practical applications, where high pressures are applied. Thus, we propose to conduct a neutron scattering experiment on the MARI instrument to study the presence of highly mobile and weakly adsorbed H2 in a micro- and mesoporous carbon material, which has shown great results as an electrode material in supercapacitors and is a potential material for H2 storage.
DOI: 10.5286/isis.e.rb2010603-1
title: Presence of multilayer H2 adsorption in micro- and mesoporous carbon

description: The oxidation of H2 produces no pollutants, which makes H2 a highly preferable fuel in comparison to fossil fuels. One method of H2 storage is the physical adsorption of H2 in porous carbons. In our previous quasi-elastic neutron scattering (QENS) study we established that when H2 loading pressures were high, a faster diffusional movement appeared due to the more mobile additional H2 layers. Analysis of these motions would provide essential information about transport properties of H2 adsorbed in a porous carbon material for practical applications, where high pressures are applied. Thus, we propose to conduct a neutron scattering experiment on the MARI instrument to study the presence of highly mobile and weakly adsorbed H2 in a micro- and mesoporous carbon material, which has shown great results as an electrode material in supercapacitors and is a potential material for H2 storage.
DOI: 10.5286/isis.e.rb2010227
title: PNR determination of magnetic structure in Co/Pd perpendicular exchange spring thin films

description: Atomic interface engineering has allowed magnetic exchange spring multilayers to be created which are both stable against thermally activated magnetisation reversal, and can be switched using the moderate fields/currents available in technologically realisable devices. These requirements are key to the creation of new forms of spintronic memory with perpendicular magnetic anisotropy including STT-MRAM (recently commercialized by Samsung and others) and the rapidly developing SOT-MRAM. Here we propose to address two outstanding scientific questions associated with this class of materials – (i) that of understanding the effect of high temperature annealing (where literature is extremely sparse) which is essential for chip integration processing (&gt;300°C) and (ii) to determine the magnet exchange spring interaction created by combining Co/Pd multilayers with high/low magnetic anisotropy.
DOI: 10.5286/isis.e.rb2010227-1
title: PNR determination of magnetic structure in Co/Pd perpendicular exchange spring thin films

description: Atomic interface engineering has allowed magnetic exchange spring multilayers to be created which are both stable against thermally activated magnetisation reversal, and can be switched using the moderate fields/currents available in technologically realisable devices. These requirements are key to the creation of new forms of spintronic memory with perpendicular magnetic anisotropy including STT-MRAM (recently commercialized by Samsung and others) and the rapidly developing SOT-MRAM. Here we propose to address two outstanding scientific questions associated with this class of materials – (i) that of understanding the effect of high temperature annealing (where literature is extremely sparse) which is essential for chip integration processing (&gt;300°C) and (ii) to determine the magnet exchange spring interaction created by combining Co/Pd multilayers with high/low magnetic anisotropy.
DOI: 10.5286/isis.e.rb1810786-2
title: HIGH FIELD MUSR STUDY OF SHORT AND LONG RANGE MAGNETIC CORRELATIONS IN CeNi9GeGa3 AND CeNi9Ga4

description: The interesting magnetic phase diagram results from competing Kondo and RKKY interactions with magnetic frustration. One interesting system in this context may be CeNi9Ga4 and solid solutions CeNi9Ge4-xGax which crystallize in a tetragonalstructure. CeNi9Ge4 was found to be near a heavy fermion quantum critical point, showing a paramagnetic ground state with a huge Sommerfeld coefficient, exceeding 5.5 J/molK² . The latter appears being stabilized by its quasi-quartet crystal field (CEF) ground state degeneracy. In CeNi9Ge4-xGax we observed a long range magnetic order with a maximum TN ~2.8 K for CeNi9Ge3Ga, while CeNi9Ga4 shows a weak magnetic transition near 0.5K, which change from FM-type to AFM-type in an applied field &gt;=0.5T. We therefore proposed here to investigate these compounds using musr measurements on HiFi to understand the complex nature of the magnetic ordering.
DOI: 10.5286/isis.e.rb1810786-3
title: HIGH FIELD MUSR STUDY OF SHORT AND LONG RANGE MAGNETIC CORRELATIONS IN CeNi9GeGa3 AND CeNi9Ga4

description: The interesting magnetic phase diagram results from competing Kondo and RKKY interactions with magnetic frustration. One interesting system in this context may be CeNi9Ga4 and solid solutions CeNi9Ge4-xGax which crystallize in a tetragonalstructure. CeNi9Ge4 was found to be near a heavy fermion quantum critical point, showing a paramagnetic ground state with a huge Sommerfeld coefficient, exceeding 5.5 J/molK² . The latter appears being stabilized by its quasi-quartet crystal field (CEF) ground state degeneracy. In CeNi9Ge4-xGax we observed a long range magnetic order with a maximum TN ~2.8 K for CeNi9Ge3Ga, while CeNi9Ga4 shows a weak magnetic transition near 0.5K, which change from FM-type to AFM-type in an applied field &gt;=0.5T. We therefore proposed here to investigate these compounds using musr measurements on HiFi to understand the complex nature of the magnetic ordering.
DOI: 10.5286/isis.e.rb2069000
title: The effect of ceramide head group on the lipid organization in the long periodicity phase of stratum corneum substitutes

description: The barrier function of the skin is located in its uppermost layer, the stratum corneum (SC). This consists of corneocytes surrounded by an intercellular lipid matrix. This lipid domain forms the only continuous pathway through the SC and it is the main system for the barrier function. The lipid classes in SC are ceramides (CER), cholesterol and free fatty acids. Skin diseases such as atopic dermatitis or psoriasis have an impaired skin barrier and are reported to exhibit differences in lipid composition compared to healthy skin, such as a reduction of the concentration of phytosphingosine CERs (CER NP) and an increase of sphingosine CERs (CER NS and AS). We aim to study the effect of an additional hydroxyl group in the CER head group region on the localization of CER NP in the LPP and whether an increased ratio of CER NS(AS)/NP will change the location of the deuterated CER NS and NP.
DOI: 10.5286/isis.e.rb2069000-1
title: The effect of ceramide head group on the lipid organization in the long periodicity phase of stratum corneum substitutes

description: The barrier function of the skin is located in its uppermost layer, the stratum corneum (SC). This consists of corneocytes surrounded by an intercellular lipid matrix. This lipid domain forms the only continuous pathway through the SC and it is the main system for the barrier function. The lipid classes in SC are ceramides (CER), cholesterol and free fatty acids. Skin diseases such as atopic dermatitis or psoriasis have an impaired skin barrier and are reported to exhibit differences in lipid composition compared to healthy skin, such as a reduction of the concentration of phytosphingosine CERs (CER NP) and an increase of sphingosine CERs (CER NS and AS). We aim to study the effect of an additional hydroxyl group in the CER head group region on the localization of CER NP in the LPP and whether an increased ratio of CER NS(AS)/NP will change the location of the deuterated CER NS and NP.
DOI: 10.5286/isis.e.rb2010088
title: Structure of recovered ice VII at low temperatures

description: Water is the most fundamental hydrogen-bonded compound on Earth. We have recently carried out very successful measurements on recovered ice VIII at HRPD which determined for the first time the volume isotope effect in this ice phase (RB1820018). In this follow-up request we wish to compare these results with high-precision volume data of its H-disordered form, ice VII. Some literature data seem to indicate that recovered ice VII is ca. 0.5% less dense than its ordered counter-part, ice VIII. This is totally unexpected since the ice VII-VIII phase boundary has a negative slope over the entire stability range of the two phases. We will investigate this fundamental questions by determining the structure and thermal expansion of D2O VII with high resolution in the range 1.5-120 K. The data will allow us to finalize an important manuscript to be published together with the data of RB1820018.
DOI: 10.5286/isis.e.rb2010088-1
title: Structure of recovered ice VII at low temperatures

description: Water is the most fundamental hydrogen-bonded compound on Earth. We have recently carried out very successful measurements on recovered ice VIII at HRPD which determined for the first time the volume isotope effect in this ice phase (RB1820018). In this follow-up request we wish to compare these results with high-precision volume data of its H-disordered form, ice VII. Some literature data seem to indicate that recovered ice VII is ca. 0.5% less dense than its ordered counter-part, ice VIII. This is totally unexpected since the ice VII-VIII phase boundary has a negative slope over the entire stability range of the two phases. We will investigate this fundamental questions by determining the structure and thermal expansion of D2O VII with high resolution in the range 1.5-120 K. The data will allow us to finalize an important manuscript to be published together with the data of RB1820018.
DOI: 10.5286/isis.e.rb2068067
title: Structural characterization of semiconducting copper tellutrite glasses by high-Q neutron diffraction

description: The proposal aims to study the structural properties of xCuO-(100-x)TeO2 (x= 30, 40 and 50 mol%) glasses by high-Q neutron diffraction and correlate the the glass short-range and medium-range order with its electronic conductivity. Copper tellurite glasses are semiconducting and their conductivity increases signficantly with an increase in CuO concentration. Conduction is due to the hopping mecahinsm in which an electron jumps from one copper site to another. Reverse Monte Carlo simulations on the neutron diffraction datasets will provide information on the Cu-Cu, Cu-Te, Cu-O, Te-Te and Te-O atomic pair correlations, bond lengths, speciation, bond-angle distributions and correlate the changes in glass structure with conductivity. Insitu high temperature neutron diffraction studies upto 200oC will reveal changes in cation-cation separations that influence the electrical conductivity.
DOI: 10.5286/isis.e.rb2068067-1
title: Structural characterization of semiconducting copper tellutrite glasses by high-Q neutron diffraction

description: The proposal aims to study the structural properties of xCuO-(100-x)TeO2 (x= 30, 40 and 50 mol%) glasses by high-Q neutron diffraction and correlate the the glass short-range and medium-range order with its electronic conductivity. Copper tellurite glasses are semiconducting and their conductivity increases signficantly with an increase in CuO concentration. Conduction is due to the hopping mecahinsm in which an electron jumps from one copper site to another. Reverse Monte Carlo simulations on the neutron diffraction datasets will provide information on the Cu-Cu, Cu-Te, Cu-O, Te-Te and Te-O atomic pair correlations, bond lengths, speciation, bond-angle distributions and correlate the changes in glass structure with conductivity. Insitu high temperature neutron diffraction studies upto 200oC will reveal changes in cation-cation separations that influence the electrical conductivity.
DOI: 10.5286/isis.e.rb2010137
title: Interplay of alternation and further neighbor interactions in S-1/2 spin chain Ca2CuAl4O8

description: Spin chains provide a testing ground for concepts in quantum magnetism. No long-range magnetic order is expected, while gapless fractional spinons excitations are predicted for spin-1/2 ions. In the case where the interactions alternate along a spin-1/2 chain the alternation confines the spinons resulting in gapped magnons. The introduction of second neighbor interactions provides another way to modify spin chains. Antiferromagnetic second neighbor interactions compete with the first neighbour interactions and exotic phases are expected such as spin-multipolar phases and nematic states in high magnetic field. Here we propose to investigate a new compound that combines alternating ferromagnetic – antiferromagnetic first neighbor interactions with stronger antiferromagnetic second neighbor interactions and is a candidate compound for nematic order in a magnetic field.
DOI: 10.5286/isis.e.rb2010137-1
title: Interplay of alternation and further neighbor interactions in S-1/2 spin chain Ca2CuAl4O8

description: Spin chains provide a testing ground for concepts in quantum magnetism. No long-range magnetic order is expected, while gapless fractional spinons excitations are predicted for spin-1/2 ions. In the case where the interactions alternate along a spin-1/2 chain the alternation confines the spinons resulting in gapped magnons. The introduction of second neighbor interactions provides another way to modify spin chains. Antiferromagnetic second neighbor interactions compete with the first neighbour interactions and exotic phases are expected such as spin-multipolar phases and nematic states in high magnetic field. Here we propose to investigate a new compound that combines alternating ferromagnetic – antiferromagnetic first neighbor interactions with stronger antiferromagnetic second neighbor interactions and is a candidate compound for nematic order in a magnetic field.
DOI: 10.5286/isis.e.rb2068006
title: Inelastic neutron scattering study of double magnetization reversal in NdFeO3 single crystal perovskite

description: We aim to understand the double magnetization reversal phenomenon, observed in the NdFeO3 perovskite compound at 6.3 K (Tcomp1) and 4.3 K (Tcomp2), by carrying out low temperature INS study on single crystal of NdFeO3. The magnetic anisotropies and exchange interactions between Nd and Fe sublattices will be extracted from the measured spin excitation spectra by comparing it with calculated magnetic excitation spectra based on linear spin-wave theory. The INS experiments using the LET spectrometer with Ei = 22 meV over 25 – 1.5 K will be carried out to establish the roles of magnetic anisotropy and inter site exchange interactions on the double magnetization reversal in NdFeO3. The work will also be useful to develop a spin wave theory to understand the technologically-important phenomenon of magnetization reversal.
DOI: 10.5286/isis.e.rb2068006-1
title: Inelastic neutron scattering study of double magnetization reversal in NdFeO3 single crystal perovskite

description: We aim to understand the double magnetization reversal phenomenon, observed in the NdFeO3 perovskite compound at 6.3 K (Tcomp1) and 4.3 K (Tcomp2), by carrying out low temperature INS study on single crystal of NdFeO3. The magnetic anisotropies and exchange interactions between Nd and Fe sublattices will be extracted from the measured spin excitation spectra by comparing it with calculated magnetic excitation spectra based on linear spin-wave theory. The INS experiments using the LET spectrometer with Ei = 22 meV over 25 – 1.5 K will be carried out to establish the roles of magnetic anisotropy and inter site exchange interactions on the double magnetization reversal in NdFeO3. The work will also be useful to develop a spin wave theory to understand the technologically-important phenomenon of magnetization reversal.
DOI: 10.5286/isis.e.rb2000128
title: Inelastic neutron scattering study of mixture of methane and ethane at low temperatures

description: One of the strategic priorities for future neutron sources is production of neutron with longer wavelengths (very-cold neutrons). The development of such an advanced neutron sources is based on right choice of the moderator material and its optimization. One of the most important pieces of information needed for prediction of the scattering probabilities of the moderator candidate materials is their vibrational density spectrum because the dynamics of the material is enclosed in its generalized frequency spectrum. We propose to use TOSCA instrument to measure the inelastic neutron scattering spectra of methane and a 3:1 mixture of methane and ethane at temperature below 20K. The mixture of methane and ethane is a potential moderator material candidate for production of very cold neutrons.
DOI: 10.5286/isis.e.rb2000128-1
title: Inelastic neutron scattering study of mixture of methane and ethane at low temperatures

description: One of the strategic priorities for future neutron sources is production of neutron with longer wavelengths (very-cold neutrons). The development of such an advanced neutron sources is based on right choice of the moderator material and its optimization. One of the most important pieces of information needed for prediction of the scattering probabilities of the moderator candidate materials is their vibrational density spectrum because the dynamics of the material is enclosed in its generalized frequency spectrum. We propose to use TOSCA instrument to measure the inelastic neutron scattering spectra of methane and a 3:1 mixture of methane and ethane at temperature below 20K. The mixture of methane and ethane is a potential moderator material candidate for production of very cold neutrons.
DOI: 10.5286/isis.e.rb2010469
title: In situ INS Studies of Decorated Zeolites for Alkyne/Alkene Separations

description: Efficient removal of alkyne impurities for the production of polymer-grade lower olefins remains an important and challenging target for many industries. We seek to develop highly selecitve zeolites as efficient alkyne/alkene separation materials and request 3 days on TOSCA to study the binding sites of adsorbed hydrocarbon molecules (C2H2/C2H4/C3H4/C3H6) within a top-performing zeolite, Ni@FAU. Under ambient conditions, Ni@FAU shows exceptional adsorption of alkynes and efficient separations of acetylene/ethylene and propyne/propylene mixtures with unprecedented separation selectivities of 100 and 92, respectively. This proposal will investigate the host-guest binding dynamics and define the mechanism of active Ni sites. The proposed study aims to reveal the nature of this interaction through vibrational insights.