cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010222
title: Structure of mixed lipid monolayers containing bacterial lipoteichoic acid (LTA) at the air-water interface

description: Lipoteichoic acid (LTA), a polymeric amphiphile with an interesting architecture (lipids+polymer brushes) present in the Gram-positive bacterial membrane, is considered a major cause of various infections. The fundamental understanding on LTA-induced structural changes to the phospholipid membrane remains inadequate. We propose to investigate the structure of the mixed lipid monolayers mimicking the outer lipid membrane structure of Bacillus subtilis, a Gram-positive bacteria species comprising d-DPPG, d-DPPE, CL and LTA using neutron reflectivity (NR) at the air-water interface, particularly varying the LTA content (2-15 mole %). The subphase pH and temperature will also be varied to understand their effects on the structural integrity of the mixed lipid monolayer mimicking the outer leaflet of the bacterial membrane.
DOI: 10.5286/isis.e.rb2010222-1
title: Structure of mixed lipid monolayers containing bacterial lipoteichoic acid (LTA) at the air-water interface

description: Lipoteichoic acid (LTA), a polymeric amphiphile with an interesting architecture (lipids+polymer brushes) present in the Gram-positive bacterial membrane, is considered a major cause of various infections. The fundamental understanding on LTA-induced structural changes to the phospholipid membrane remains inadequate. We propose to investigate the structure of the mixed lipid monolayers mimicking the outer lipid membrane structure of Bacillus subtilis, a Gram-positive bacteria species comprising d-DPPG, d-DPPE, CL and LTA using neutron reflectivity (NR) at the air-water interface, particularly varying the LTA content (2-15 mole %). The subphase pH and temperature will also be varied to understand their effects on the structural integrity of the mixed lipid monolayer mimicking the outer leaflet of the bacterial membrane.
DOI: 10.5286/isis.e.rb2010748
title: Effect of Film Oxidation on Hygroscopic Behaviour and Surface Structural Changes during Ozonolysis of Thin-Film Fatty Acid Aerosol Proxies

description: Further to a recent rapid access INTER beamtime where we obtained very promising results, we propose a neutron reflectometry (NR) experiment on spin-coated thin films of self-assembled fatty acids on Si wafers as proxies for atmospheric aerosols. We aim (i) to observe differences in hygroscopic behaviour between pristine and oxidised films of our d-oleic acid/sodium oleate mixture, used as an atmospheric aerosol thin film proxy, and (ii) to characterise surface structure changes during oxidation by ozone. We have shown that we can control the film thickness by spin-coating films at different spin speeds and solution concentrations. These experiments are a key contribution to a wider study involving Diamond Lightsource on the effect of organic film thickness and structure on ozonolysis reaction kinetics and the effect of oxidation on hygroscopic behaviour.
DOI: 10.5286/isis.e.rb2010748-1
title: Effect of Film Oxidation on Hygroscopic Behaviour and Surface Structural Changes during Ozonolysis of Thin-Film Fatty Acid Aerosol Proxies

description: Further to a recent rapid access INTER beamtime where we obtained very promising results, we propose a neutron reflectometry (NR) experiment on spin-coated thin films of self-assembled fatty acids on Si wafers as proxies for atmospheric aerosols. We aim (i) to observe differences in hygroscopic behaviour between pristine and oxidised films of our d-oleic acid/sodium oleate mixture, used as an atmospheric aerosol thin film proxy, and (ii) to characterise surface structure changes during oxidation by ozone. We have shown that we can control the film thickness by spin-coating films at different spin speeds and solution concentrations. These experiments are a key contribution to a wider study involving Diamond Lightsource on the effect of organic film thickness and structure on ozonolysis reaction kinetics and the effect of oxidation on hygroscopic behaviour.
DOI: 10.5286/isis.e.rb2010320
title: Magnon dispersion in the spintronic alloys Co50Fe50 and Co20Fe60B20

description: Co50Fe50 (CF) and Co20Fe60B20 (CFB) have generated a lot of interest in the spintronics/magnonics/spin caloritronics community due to their hard magnetic nature, low magnon linewidth and ease of thin film fabrication. We have studied the spin Seebeck effect (SSE) in Si/CF/Pt and Si/CFB/Pt thin films and have obtained large thermomagnetic responses showing promise for energy harvesting applications. Since the SSE is governed by magnon propagation, it is important to study low and high energy magnon modes for determining SSE efficiency. We have measured the low energy magnon modes in these films using ferromagnetic resonance and have obtained low magnon damping. We now aim to study the high energy magnon propagation in CF and CFB powders using inelastic neutron scattering on the MAPS instrument to form a complete picture of the SSE in these materials and aid in technological applications.
DOI: 10.5286/isis.e.rb2010320-1
title: Magnon dispersion in the spintronic alloys Co50Fe50 and Co20Fe60B20

description: Co50Fe50 (CF) and Co20Fe60B20 (CFB) have generated a lot of interest in the spintronics/magnonics/spin caloritronics community due to their hard magnetic nature, low magnon linewidth and ease of thin film fabrication. We have studied the spin Seebeck effect (SSE) in Si/CF/Pt and Si/CFB/Pt thin films and have obtained large thermomagnetic responses showing promise for energy harvesting applications. Since the SSE is governed by magnon propagation, it is important to study low and high energy magnon modes for determining SSE efficiency. We have measured the low energy magnon modes in these films using ferromagnetic resonance and have obtained low magnon damping. We now aim to study the high energy magnon propagation in CF and CFB powders using inelastic neutron scattering on the MAPS instrument to form a complete picture of the SSE in these materials and aid in technological applications.
DOI: 10.5286/isis.e.rb2010090
title: Identification of reaction intermediates on model Raney Cobalt Fischer-Tropsch Catalysts by Inelastic Neutron Spectroscopy

description: The Fischer-Tropsch process is the industrial scale production of fuels from the molecules of hydrogen and carbon monoxide. It enables society to make fuels without being reliant on oil. The chemical reactions in Fischer-Tropsch happen on a cobalt surface and involve the breaking of carbon monoxide bonds, followed by the connection of carbon-hydrogen "building blocks" to make longer chain fuel molecules. The chemistry of these building block intermediates in Fischer-Tropsch plays an important role in the efficiency. We will use neutron spectroscopy, which is very sensitive to hydrogen, to see what the exact nature of the building blocks are on a cobalt surface. Through changing the temperature of reaction and introducing different amounts of the reaction molecules, we will see how these building blocks change during reaction. This information can be used to improve future catalysts.
DOI: 10.5286/isis.e.rb2010090-1
title: Identification of reaction intermediates on model Raney Cobalt Fischer-Tropsch Catalysts by Inelastic Neutron Spectroscopy

description: The Fischer-Tropsch process is the industrial scale production of fuels from the molecules of hydrogen and carbon monoxide. It enables society to make fuels without being reliant on oil. The chemical reactions in Fischer-Tropsch happen on a cobalt surface and involve the breaking of carbon monoxide bonds, followed by the connection of carbon-hydrogen "building blocks" to make longer chain fuel molecules. The chemistry of these building block intermediates in Fischer-Tropsch plays an important role in the efficiency. We will use neutron spectroscopy, which is very sensitive to hydrogen, to see what the exact nature of the building blocks are on a cobalt surface. Through changing the temperature of reaction and introducing different amounts of the reaction molecules, we will see how these building blocks change during reaction. This information can be used to improve future catalysts.
DOI: 10.5286/isis.e.rb2010090-2
title: Identification of reaction intermediates on model Raney Cobalt Fischer-Tropsch Catalysts by Inelastic Neutron Spectroscopy

description: The Fischer-Tropsch process is the industrial scale production of fuels from the molecules of hydrogen and carbon monoxide. It enables society to make fuels without being reliant on oil. The chemical reactions in Fischer-Tropsch happen on a cobalt surface and involve the breaking of carbon monoxide bonds, followed by the connection of carbon-hydrogen "building blocks" to make longer chain fuel molecules. The chemistry of these building block intermediates in Fischer-Tropsch plays an important role in the efficiency. We will use neutron spectroscopy, which is very sensitive to hydrogen, to see what the exact nature of the building blocks are on a cobalt surface. Through changing the temperature of reaction and introducing different amounts of the reaction molecules, we will see how these building blocks change during reaction. This information can be used to improve future catalysts.
DOI: 10.17632/c9xwjchb7w.1
title: Data for: Lifecycle Consumption Under Different Income Profiles: Evidence and Theory

description: The zip file includes the codes and data we constructed. The "result.csv" in the zip file is the compiled experimental data, which do not have any personal identifiers.
DOI: 10.5286/isis.e.rb2000257
title: Investigation into the structural relations of actinide brannerites

description: Actinide brannerites (prototypically UTi2O6) have been proposed as ceramic wasteforms for disposal of high actinide content radioactive wastes arising from civilian nuclear power generation. The crystal structures of the end-member brannerites UTi2O6, ThTi2O6, and CeTi2O6 have been previously determined, but little information is available on doped or otherwise unusual structures within the brannerite system. In particular, one of the polymorphs of ThTi2O6 has an unusual structure, the presence of which, or conversion to/from the brannerite structure, may have a deleterious effect on the performance of the final wasteform. Similarly, though there are many previous reports of doped uranium brannerites (U,M)Ti2O6, research on the effect of Ti-site doping U(Ti,M)2O6 is scarce, despite observations that the crystal chemistry of the brannerite structure is more complex than expected.
DOI: 10.5286/isis.e.rb2000257-1
title: Investigation into the structural relations of actinide brannerites

description: Actinide brannerites (prototypically UTi2O6) have been proposed as ceramic wasteforms for disposal of high actinide content radioactive wastes arising from civilian nuclear power generation. The crystal structures of the end-member brannerites UTi2O6, ThTi2O6, and CeTi2O6 have been previously determined, but little information is available on doped or otherwise unusual structures within the brannerite system. In particular, one of the polymorphs of ThTi2O6 has an unusual structure, the presence of which, or conversion to/from the brannerite structure, may have a deleterious effect on the performance of the final wasteform. Similarly, though there are many previous reports of doped uranium brannerites (U,M)Ti2O6, research on the effect of Ti-site doping U(Ti,M)2O6 is scarce, despite observations that the crystal chemistry of the brannerite structure is more complex than expected.
DOI: 10.5286/isis.e.rb1920548
title: Separating individual diffusion coefficients in ethanol-water mixtures

description: Molecular diffusion is of high importance in the fields of biology, chemistry, pharmacy and material sciences. We are interested in exploiting the novel materials of supramolecular gels based on low molecular weight gelators towards drug delivery, and have recently performed an underpinning experiment on LET (RB 1610311) in which we have investigated the intriguingly complex pure solvent mixture of fully protiated water-ethanol in terms of its self-diffusion on the picosecond time scale across the complete range of mixing ratios.These first systematic experimental QENS data has just been published in PCCP. In the current proposal, we would like to investigate partially deuterated solvent mixtures using polarised neutrons on LET in order to resolve the individual diffusion coefficients of ethanol and water within the solvent mixture.
DOI: 10.5286/isis.e.rb1920548-1
title: Separating individual diffusion coefficients in ethanol-water mixtures

description: Molecular diffusion is of high importance in the fields of biology, chemistry, pharmacy and material sciences. We are interested in exploiting the novel materials of supramolecular gels based on low molecular weight gelators towards drug delivery, and have recently performed an underpinning experiment on LET (RB 1610311) in which we have investigated the intriguingly complex pure solvent mixture of fully protiated water-ethanol in terms of its self-diffusion on the picosecond time scale across the complete range of mixing ratios.These first systematic experimental QENS data has just been published in PCCP. In the current proposal, we would like to investigate partially deuterated solvent mixtures using polarised neutrons on LET in order to resolve the individual diffusion coefficients of ethanol and water within the solvent mixture.
DOI: 10.5286/isis.e.rb2000225
title: Dynamical changes triggered by the amyloidogenesis of Hfq-CTR

description: The Hfq protein is reported to be involved in environmental adaptation and virulence of several bacteria. In Gram-negative bacteria, Hfq mediates the interaction between regulatory noncoding RNAs and their target mRNAs. Besides these RNA-related functions, Hfq is also associated with DNA and is a part of the bacterial chromatin. Its precise role in DNA structuration is, however, unclear and whether Hfq plays a direct role in DNA-related processes such as replication or recombination is controversial. Inelastic neutron, due to its sensitivity to hydrogen atoms, is expected to shed light on the dynamical changes triggered by the amyloidogenesis of Hfq-CTR. This results will be helpful in elucidating the mechanism of hydrogen bonding interactions in action during the fibrillar structure formation.
DOI: 10.5286/isis.e.rb2000225-1
title: Dynamical changes triggered by the amyloidogenesis of Hfq-CTR

description: The Hfq protein is reported to be involved in environmental adaptation and virulence of several bacteria. In Gram-negative bacteria, Hfq mediates the interaction between regulatory noncoding RNAs and their target mRNAs. Besides these RNA-related functions, Hfq is also associated with DNA and is a part of the bacterial chromatin. Its precise role in DNA structuration is, however, unclear and whether Hfq plays a direct role in DNA-related processes such as replication or recombination is controversial. Inelastic neutron, due to its sensitivity to hydrogen atoms, is expected to shed light on the dynamical changes triggered by the amyloidogenesis of Hfq-CTR. This results will be helpful in elucidating the mechanism of hydrogen bonding interactions in action during the fibrillar structure formation.
DOI: 10.17632/k69rvfw2tb.2
title: Intermediate-mafic dikes in the East Kunlun Orogen, northern Tibetan Plateau: a window into paleo-arc magma feeding system

description: mineralogy, elemental and Sr-Nd-Hf isotope geochemistry and zircon geochronology of the late Permian dikes in the East Kunlun Orogen, northern Tibet Plateau
DOI: 10.5286/isis.e.rb2010160
title: Characterisation of creep cavitation due to creep-fatigue interaction

description: Grain boundary cavitation is the life-limiting creep damage process for long-term operating power plants exposed to high temperatures. Nuclear power plants are used extensively as base load sources of electricity as this is the technically simplest mode of operation. However, for countries including the UK with a desire to increase renewable energy sources to create energy mix, question arises as to whether the nuclear power plants can be operated in a load-following mode. This research is aimed to provide necessary experimental validation to a newly developed creep cavitation model that can be then used to support the life prediction of nuclear power plants operating in a load-following mode on a regular basis.
DOI: 10.5286/isis.e.rb2010160-1
title: Characterisation of creep cavitation due to creep-fatigue interaction

description: Grain boundary cavitation is the life-limiting creep damage process for long-term operating power plants exposed to high temperatures. Nuclear power plants are used extensively as base load sources of electricity as this is the technically simplest mode of operation. However, for countries including the UK with a desire to increase renewable energy sources to create energy mix, question arises as to whether the nuclear power plants can be operated in a load-following mode. This research is aimed to provide necessary experimental validation to a newly developed creep cavitation model that can be then used to support the life prediction of nuclear power plants operating in a load-following mode on a regular basis.
DOI: 10.5286/isis.e.rb2000215
title: Identification of the gemstone jet.

description: Jet is a mineraloid that is found across the world and has been used as a gemstone since antiquity to make jewellery. Authenticating jet is difficult and most methods result in damage. There are circumstantial diagnostic tests for so-called ’true-jet’: when rubbed against unglazed porcelain, true jet will leave a brown streak, although there are other materials that will also do this. As it is basically coal, jet will burn with a sooty flame. For historical artefacts, such methods are clearly unacceptable and there is a need for a viable non-destructive technique that can examine a complete object. Inelastic neutron scattering spectroscopy offers a potential solution. The technique is non-destructive, relatively large (several cm) samples can be measured, it is a bulk measurement, sample preparation is trivial and the entire “infrared spectroscopy” 0-4000 cm-1 range is obtained.
DOI: 10.5286/isis.e.rb2000215-1
title: Identification of the gemstone jet.

description: Jet is a mineraloid that is found across the world and has been used as a gemstone since antiquity to make jewellery. Authenticating jet is difficult and most methods result in damage. There are circumstantial diagnostic tests for so-called ’true-jet’: when rubbed against unglazed porcelain, true jet will leave a brown streak, although there are other materials that will also do this. As it is basically coal, jet will burn with a sooty flame. For historical artefacts, such methods are clearly unacceptable and there is a need for a viable non-destructive technique that can examine a complete object. Inelastic neutron scattering spectroscopy offers a potential solution. The technique is non-destructive, relatively large (several cm) samples can be measured, it is a bulk measurement, sample preparation is trivial and the entire “infrared spectroscopy” 0-4000 cm-1 range is obtained.
DOI: 10.5286/isis.e.rb2010578
title: Magnetic excitations of uniaxial-strain detwinned FeSe

description: We propose to measure intrinsic magnetic excitations of FeSe detwinned by a newly-developed strain device based on differential thermal expansion of invar alloy and aluminium. Though magnetic excitations of twinned FeSe and low-energy (E&lt;10meV) spin fluctuations have been measured with neutron scattering, much concerning the intrinsic magnetic excitations are still unknown and need to be explored in detwinned FeSe. With the new device with large amount (2 grams) of FeSe glued on aluminium sheets, we will measure the magnetic excitations at (1,0), (0,1) and (1,1) upto 60meV at various temperature across superconducting and structural transitions, from which the nematic spin correlations and the nature of the magnetic excitations at (1,1) will be determined.
DOI: 10.5286/isis.e.rb2010578-1
title: Magnetic excitations of uniaxial-strain detwinned FeSe

description: We propose to measure intrinsic magnetic excitations of FeSe detwinned by a newly-developed strain device based on differential thermal expansion of invar alloy and aluminium. Though magnetic excitations of twinned FeSe and low-energy (E&lt;10meV) spin fluctuations have been measured with neutron scattering, much concerning the intrinsic magnetic excitations are still unknown and need to be explored in detwinned FeSe. With the new device with large amount (2 grams) of FeSe glued on aluminium sheets, we will measure the magnetic excitations at (1,0), (0,1) and (1,1) upto 60meV at various temperature across superconducting and structural transitions, from which the nematic spin correlations and the nature of the magnetic excitations at (1,1) will be determined.
DOI: 10.5286/isis.e.rb1820050
title: Quantifying orientational ordering in tetrahedrally-bonded liquids

description: Network-forming melts such as water, silica, Si, Ge, C, GeO2 or BeF2 exhibit distinctive local tetrahedral symmetry which is thought to be at the origin of known thermodynamic anomalies. Recent simulation results emphasize the important role of local ordering in the second co-ordination shell in determining the origin of the anomalies referred to. Molten BeF2 represents a close analogue to silica which because of the weaker BeF interaction, shows both melting (1076 K) and glass-transition (580 K) points at significantly lower temperatures than silica and thus appears as an optimal candidate to check the accuracy of the computer simulation predictions. Here we propose to conduct a series of measurements to determine the structural order of BeF2 to check the accuracy of published simulation results for the material by means of a direct comparison of the total radial distributions.
DOI: 10.34740/kaggle/dsv/2161283
title: multilevel causality relations deaths age sex
DOI: 10.5286/isis.e.rb1820050-1
title: Quantifying orientational ordering in tetrahedrally-bonded liquids

description: Network-forming melts such as water, silica, Si, Ge, C, GeO2 or BeF2 exhibit distinctive local tetrahedral symmetry which is thought to be at the origin of known thermodynamic anomalies. Recent simulation results emphasize the important role of local ordering in the second co-ordination shell in determining the origin of the anomalies referred to. Molten BeF2 represents a close analogue to silica which because of the weaker BeF interaction, shows both melting (1076 K) and glass-transition (580 K) points at significantly lower temperatures than silica and thus appears as an optimal candidate to check the accuracy of the computer simulation predictions. Here we propose to conduct a series of measurements to determine the structural order of BeF2 to check the accuracy of published simulation results for the material by means of a direct comparison of the total radial distributions.
DOI: 10.5286/isis.e.rb2010903
title: Effects of methylation on electron transport in double strand DNA

description: Systematic studies on the behaviour of electrons in the normal and damaged DNA using microscopic tools such as μSR techniques are required. We aim to clarify electron transfer in dsDNA by µSR and its relations to different types of damages in DNA. We have been awarded 4 days of beam time form Newton Fund scheme to performed µSR measurement by using HIFI. In this proposal, LF-μSR studies are planned to be carried out on synthetic dsDNAmolecules which are unmethylated dsDNA 5’–ATATATATATAT –3’ (normal), and methylated dsDNA 5’–GCGCGCGCGCGC–3’.