cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2510544
title: Characterising insertion of a de novo electroactive cytochrome protein into synthetic membranes

description: The experiments outlined in this proposal will show for the first time the insertion and activity of a de novo-designed cytochrome protein within a model cell membrane. This protein has higher rates of electron-transport than observed in natural proteins (which we have already successfully characterised using neutron reflectometry), leading to exciting possibilities for enhancement of biohybrid devices such as biophotovoltaics. We will use neutron reflectometry to chart for the first time the insertion of these synthetic proteins into supported lipid bilayers, and use our bespoke electrochemical cell to show the effects on both bilayer and protein structure at each stage of the electron-transport process.
DOI: 10.5286/isis.e.rb2510544-1
title: Characterising insertion of a de novo electroactive cytochrome protein into synthetic membranes

description: The experiments outlined in this proposal will show for the first time the insertion and activity of a de novo-designed cytochrome protein within a model cell membrane. This protein has higher rates of electron-transport than observed in natural proteins (which we have already successfully characterised using neutron reflectometry), leading to exciting possibilities for enhancement of biohybrid devices such as biophotovoltaics. We will use neutron reflectometry to chart for the first time the insertion of these synthetic proteins into supported lipid bilayers, and use our bespoke electrochemical cell to show the effects on both bilayer and protein structure at each stage of the electron-transport process.
DOI: 10.3535/0sx-psv-69k
title: Juncus bulbosus subsp. bulbosus

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/p9x-vmr-5al
title: Carex lasiocarpa Ehrh.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2400061
title: High-pressure polymorphism of magnesium-chloride hydrates at ice-moon conditions

description: The 2030s will be the decade of the ice moons with both NASA and ESA space crafts scheduled to arrive at Jupiter. To be able to interpret their future measurements, lab-based studies are now urgently required. The ultimate aim is to develop full structural and dynamic models of Europa, Ganymede and Calisto, with a particular focus on the ice layers and subsurface oceans. Understanding the effects of salts on the various icy materials is key in this respect. Building on previous work at ISIS investigating the effects of the ammonium fluoride salt on water’s phase diagram, we now aim to investigate ice-moon relevant salts. Using in-situ volume-change measurements at UCL, which precisely detect phase transitions and give in-situ density values, we plan to build a large dataset using a high-throughput approach to explore the effects of pressure, temperature, pH as well as salt concentration and type. To be able to fully interpret our large dataset with respect to which phases exist at certain conditions, we require in-situ neutron diffraction measurements. In a sense, these will form the cornerstones of our interpretations and will “unlock” our entire large dataset. Some of the high-pressure salt hydrates to be encountered are expected to be new discoveries. As a first step, we request 2 days of beamtime on the PEARL instrument to investigate particularly interesting pressure-temperature conditions for 1 M magnesium-chloride samples.
DOI: 10.5286/isis.e.rb2400061-1
title: High-pressure polymorphism of magnesium-chloride hydrates at ice-moon conditions

description: The 2030s will be the decade of the ice moons with both NASA and ESA space crafts scheduled to arrive at Jupiter. To be able to interpret their future measurements, lab-based studies are now urgently required. The ultimate aim is to develop full structural and dynamic models of Europa, Ganymede and Calisto, with a particular focus on the ice layers and subsurface oceans. Understanding the effects of salts on the various icy materials is key in this respect. Building on previous work at ISIS investigating the effects of the ammonium fluoride salt on water’s phase diagram, we now aim to investigate ice-moon relevant salts. Using in-situ volume-change measurements at UCL, which precisely detect phase transitions and give in-situ density values, we plan to build a large dataset using a high-throughput approach to explore the effects of pressure, temperature, pH as well as salt concentration and type. To be able to fully interpret our large dataset with respect to which phases exist at certain conditions, we require in-situ neutron diffraction measurements. In a sense, these will form the cornerstones of our interpretations and will “unlock” our entire large dataset. Some of the high-pressure salt hydrates to be encountered are expected to be new discoveries. As a first step, we request 2 days of beamtime on the PEARL instrument to investigate particularly interesting pressure-temperature conditions for 1 M magnesium-chloride samples.
DOI: 10.5286/isis.e.rb2455029-1
title: Establishing design rules for friction-reducing polymers through structural/ dynamic studies at the solid-liquid interface
DOI: 10.3535/qfs-2zn-vq7
title: Carex demissa Hornem.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2455029
title: Establishing design rules for friction-reducing polymers through structural/ dynamic studies at the solid-liquid interface
DOI: 10.5286/isis.e.rb2510378
title: The interaction of 5-Hydroxymethyl Furfural (HMF) on a biochar catalyst after the addition of an oxidant and co-catalyst - MAPS

description: The oxidation of 5-hydroxymethyl furfural (HMF) can lead to the production of poly(ethylene 2,5-furandicarboxylate) (PEF) – a polymer that could replace the petroleum based polyethylene terephthalate (PET). In this context, we have developed a naturally iron-containing biochar (BCR) catalyst from palm oil empty fruit bunch which we found to catalyse the reaction under very mild conditions by use of an organic peroxide and radical mediator co-catalyst. We have recently probed the mechanism of the catalysis to understand the molecular-scale interaction of the HMF with the BCR using INS and results show that the C-H and O-H of bending modes of HMF are observed differently when the radical initiator TEMPO as the co-catalyst was added. We now wish to probe the mechanism of the catalysis when both the co-catalyst and the oxidant are added. For HMF oxidation such mechanistic detail is missing in the literature and for our material such information will allow us to improve and optimise the catalyst further. BCR is very difficult to study by conventional vibrational spectroscopy, as the infrared spectrum is dominated by the residual oxygen functionalities and the Raman by carbon modes. INS enables the complete spectral range to be examined, and parallel proposals for MAPS (for the region above 2500 cm-1) and TOSCA (for the region below 2500 cm-1) will be submitted.
DOI: 10.5286/isis.e.rb2510378-1
title: The interaction of 5-Hydroxymethyl Furfural (HMF) on a biochar catalyst after the addition of an oxidant and co-catalyst - MAPS

description: The oxidation of 5-hydroxymethyl furfural (HMF) can lead to the production of poly(ethylene 2,5-furandicarboxylate) (PEF) – a polymer that could replace the petroleum based polyethylene terephthalate (PET). In this context, we have developed a naturally iron-containing biochar (BCR) catalyst from palm oil empty fruit bunch which we found to catalyse the reaction under very mild conditions by use of an organic peroxide and radical mediator co-catalyst. We have recently probed the mechanism of the catalysis to understand the molecular-scale interaction of the HMF with the BCR using INS and results show that the C-H and O-H of bending modes of HMF are observed differently when the radical initiator TEMPO as the co-catalyst was added. We now wish to probe the mechanism of the catalysis when both the co-catalyst and the oxidant are added. For HMF oxidation such mechanistic detail is missing in the literature and for our material such information will allow us to improve and optimise the catalyst further. BCR is very difficult to study by conventional vibrational spectroscopy, as the infrared spectrum is dominated by the residual oxygen functionalities and the Raman by carbon modes. INS enables the complete spectral range to be examined, and parallel proposals for MAPS (for the region above 2500 cm-1) and TOSCA (for the region below 2500 cm-1) will be submitted.
DOI: 10.34816/ifao.archives.232971
title: SAQQARA_nb_1994_06038

description: Référence : nb_1994_06038<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/0dy-19d-kxx
title: Centaurium cachanlahuen (Molina) B. L. Rob.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/41d-gx1-78l
title: Symphyotrichum vahlii (Gaudich.) G. L. Nesom

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510018
title: Variable-temperature study of AsH3 – The structure of α-AsH3

description: The hydrogen compounds of the lighter Group V elements PnH3 (Pn = N, P, As) have been important starting materials for industrial processes for many decades, with phosphine and arsine (PH3 and AsH3) being important for the production of semiconductor materials. The crystal structures of PH3 and AsH3 are unknown. They are, however, of interest as we have shown in previous experiments, that they exhibit polymorphism with at least two (from powder X-ray diffraction) or possibly three (differential scanning calorimetry) different crystallographic phases. Within this experiment we will elucidate the crystal structure of the high-temperature polymorph by growing a single crystal in a capillary directly on the instrument.
DOI: 10.5286/isis.e.rb2510018-1
title: Variable-temperature study of AsH3 – The structure of α-AsH3

description: The hydrogen compounds of the lighter Group V elements PnH3 (Pn = N, P, As) have been important starting materials for industrial processes for many decades, with phosphine and arsine (PH3 and AsH3) being important for the production of semiconductor materials. The crystal structures of PH3 and AsH3 are unknown. They are, however, of interest as we have shown in previous experiments, that they exhibit polymorphism with at least two (from powder X-ray diffraction) or possibly three (differential scanning calorimetry) different crystallographic phases. Within this experiment we will elucidate the crystal structure of the high-temperature polymorph by growing a single crystal in a capillary directly on the instrument.
DOI: 10.5286/isis.e.rb2510434-1
title: Unravelling the dynamics in Yb4Ta25O68, an Ising antiferromagnet with well-separated triangular lattice layers

description: Yb4Ta25O68 is a new spin liquid candidate which contains alternating blocks of magnetic triangular bilayers of Yb3+ ions and non-magnetic Yb2+ spacer layers. This realises a highly isolated triangular geometry of Ising-like spins which is expected to be highly frustrated. Preliminary muon data obtained at PSI demonstrate that this system shows spin relaxation and no long range order down to millikelvin temperatures. We now wish to exploit the high data rate available at ISIS to characterise the spin dynamics in this fluctuating system using longitudinal fields.
DOI: 10.3535/w5g-dze-hyt
title: Libertia Spreng.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wkq-0vl-vkq
title: Reynoutria sachalinensis (F. Schmidt) Nakai

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510391
title: Investigation of novel quantum magnetic ground state in a spin-orbit driven 4d ruthenate antiferromagnet La2MgRuO6

description: An intricate interplay between spin-orbit interaction and electronic correlation can lead to collective quantum phenomena with exotic excitations in 4d and 5d transition metal oxides. According to recent theoretical work, the d4 electronic configuration is quite interesting as super-exchange competes with spin-orbit coupling, yielding a phase transition from nonmagnetic atomic singlets to novel and unconventional magnetic phases. A promising candidate to test this physics is La2MgRuO6, a double perovskite with an ordered B-site where the Ru4+ is in the 4d4 configuration. Our preliminary characterizations suggests this material to be at the border between those phases. The dc magnetic susceptibility and specific heat show neither any signature of magnetic long-range ordering nor spin-freezing down to 50 mK despite a strong antiferromagnetic interaction between Ru4+ (4d4) moments. In addition, the power law behavior of low-T magnetic specific heat suggests a gapless excitation spectrum. We therefore plan to perform microscopic muon-spin-relaxation experiments down to sub-Kelvin temperatures on EMU instrument to shed insights into the correlated quantum magnetic ground state of this spin-orbit driven novel quantum magnet.
DOI: 10.5286/isis.e.rb2510391-1
title: Investigation of novel quantum magnetic ground state in a spin-orbit driven 4d ruthenate antiferromagnet La2MgRuO6

description: An intricate interplay between spin-orbit interaction and electronic correlation can lead to collective quantum phenomena with exotic excitations in 4d and 5d transition metal oxides. According to recent theoretical work, the d4 electronic configuration is quite interesting as super-exchange competes with spin-orbit coupling, yielding a phase transition from nonmagnetic atomic singlets to novel and unconventional magnetic phases. A promising candidate to test this physics is La2MgRuO6, a double perovskite with an ordered B-site where the Ru4+ is in the 4d4 configuration. Our preliminary characterizations suggests this material to be at the border between those phases. The dc magnetic susceptibility and specific heat show neither any signature of magnetic long-range ordering nor spin-freezing down to 50 mK despite a strong antiferromagnetic interaction between Ru4+ (4d4) moments. In addition, the power law behavior of low-T magnetic specific heat suggests a gapless excitation spectrum. We therefore plan to perform microscopic muon-spin-relaxation experiments down to sub-Kelvin temperatures on EMU instrument to shed insights into the correlated quantum magnetic ground state of this spin-orbit driven novel quantum magnet.
DOI: 10.5286/isis.e.rb2510434
title: Unravelling the dynamics in Yb4Ta25O68, an Ising antiferromagnet with well-separated triangular lattice layers

description: Yb4Ta25O68 is a new spin liquid candidate which contains alternating blocks of magnetic triangular bilayers of Yb3+ ions and non-magnetic Yb2+ spacer layers. This realises a highly isolated triangular geometry of Ising-like spins which is expected to be highly frustrated. Preliminary muon data obtained at PSI demonstrate that this system shows spin relaxation and no long range order down to millikelvin temperatures. We now wish to exploit the high data rate available at ISIS to characterise the spin dynamics in this fluctuating system using longitudinal fields.
DOI: 10.34816/ifao.archives.232972
title: SAQQARA_nb_1994_06039

description: Référence : nb_1994_06039<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/mh2-8cs-5kv
title: Escallonia rubra (Ruiz & Pav.) Pers.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xeh-1wl-c7p
title: Ranunculus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510031-1
title: Phonon Dispersion and Lifetimes in the High-entropy Thermoelectric Alloy: AgSbPbSnGeTe5

description: PbTe, as one of the best medium temperature thermoelectric materials currently available, has been partially applied in devices. It was found that giant anharmonic phonon scattering is the microscopic origin of low lattice thermal conductivity in PbTe by inelastic neutron scattering measurements. AgSbPbSnGeTe5 is a high-entropy thermoelectric material developed on the basis of PbTe, showing a strong lattice disorder while maintaining the stability of the face centered cubic structure. In contrast to PbTe, AgSbPbSnGeTe5 shows a glass-like temperature dependent thermal conductivity, approaching amorphous limit ~0.37 W/(mK) at 673 K. Given such low thermal conductivity, AgSbPbSnGeTe5 also exhibits better figure of merits (ZT=~1.22 at 673 K) than pure PbTe. However, the origin of ultralow and glass-like lattice thermal conductivity in AgSbPbSnGeTe5 is still unknown. Compared with PbTe, high-entropy AgSbPbSnGeTe5 may or may not exhibit similar giant phonon anharmonicity, low-frequency optical phonons, the avoided-crossing phonon, and phonon softening in its phonon dispersion. Understanding how high-entropy structure affects the phonon behaviors and making a direct comparison to pure PbTe are fundamentally intriguing, which is beneficial for explaining its ultralow lattice thermal conductivity and anomalous thermal conductivity trend. Therefore, we propose to measure phonon dispersion and lifetimes of AgSbPbSnGeTe5 at varying temperatures using MERLIN, ISIS.
DOI: 10.5286/isis.e.rb2510651
title: Phosphoric acid clustering in porous composite membranes for high temperature fuel cell

description: High-temperature PEM fuel cells (HT-PEMFCs) are crucial for achieving net-zero emissions by efficiently converting hydrogen and oxygen into electricity, with only water as a byproduct. Operating at 120-200°C, these fuel cells rely on phosphoric acid (PA)-doped polybenzimidazole (PBI) membranes to deliver high power density and durability. Unlike low-temperature fuel cells where water conducts protons, PA is the proton conductor in HT-PEMFCs. However, PA leaching from PBI membranes reduces performance, accelerates catalyst migration, and shortens the cell’s lifespan.
Our research addresses this by developing composite membranes made from cardo polymers of intrinsic microporosity (cPIM-1) and polyvinylpyrrolidone (PVP). These membranes show improved electrochemical performance over commercial alternatives due to their microporous structure, which retains PA through capillary forces and hydrogen bonds, reducing acid loss. Small-angle and wide-angle X-ray scattering (SAXS and WAXS) experiments show that PA clusters in these composite membranes are smaller and more uniformly distributed, enhancing stability and efficiency.
To deepen our understanding of the PA interactions within the membranes, we plan to use neutron scattering techniques. This will offer insights into hydrogen bonding and microstructural behavior, aiding in the design of more efficient, durable fuel cells.
DOI: 10.5286/isis.e.rb2510651-1
title: Phosphoric acid clustering in porous composite membranes for high temperature fuel cell

description: High-temperature PEM fuel cells (HT-PEMFCs) are crucial for achieving net-zero emissions by efficiently converting hydrogen and oxygen into electricity, with only water as a byproduct. Operating at 120-200°C, these fuel cells rely on phosphoric acid (PA)-doped polybenzimidazole (PBI) membranes to deliver high power density and durability. Unlike low-temperature fuel cells where water conducts protons, PA is the proton conductor in HT-PEMFCs. However, PA leaching from PBI membranes reduces performance, accelerates catalyst migration, and shortens the cell’s lifespan.
Our research addresses this by developing composite membranes made from cardo polymers of intrinsic microporosity (cPIM-1) and polyvinylpyrrolidone (PVP). These membranes show improved electrochemical performance over commercial alternatives due to their microporous structure, which retains PA through capillary forces and hydrogen bonds, reducing acid loss. Small-angle and wide-angle X-ray scattering (SAXS and WAXS) experiments show that PA clusters in these composite membranes are smaller and more uniformly distributed, enhancing stability and efficiency.
To deepen our understanding of the PA interactions within the membranes, we plan to use neutron scattering techniques. This will offer insights into hydrogen bonding and microstructural behavior, aiding in the design of more efficient, durable fuel cells.
DOI: 10.3535/jpm-q5x-tgp
title: Reynoutria × bohemica Chrtek & Chrtková

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/l1d-dll-6ya
title: Rumex scutatus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510031
title: Phonon Dispersion and Lifetimes in the High-entropy Thermoelectric Alloy: AgSbPbSnGeTe5

description: PbTe, as one of the best medium temperature thermoelectric materials currently available, has been partially applied in devices. It was found that giant anharmonic phonon scattering is the microscopic origin of low lattice thermal conductivity in PbTe by inelastic neutron scattering measurements. AgSbPbSnGeTe5 is a high-entropy thermoelectric material developed on the basis of PbTe, showing a strong lattice disorder while maintaining the stability of the face centered cubic structure. In contrast to PbTe, AgSbPbSnGeTe5 shows a glass-like temperature dependent thermal conductivity, approaching amorphous limit ~0.37 W/(mK) at 673 K. Given such low thermal conductivity, AgSbPbSnGeTe5 also exhibits better figure of merits (ZT=~1.22 at 673 K) than pure PbTe. However, the origin of ultralow and glass-like lattice thermal conductivity in AgSbPbSnGeTe5 is still unknown. Compared with PbTe, high-entropy AgSbPbSnGeTe5 may or may not exhibit similar giant phonon anharmonicity, low-frequency optical phonons, the avoided-crossing phonon, and phonon softening in its phonon dispersion. Understanding how high-entropy structure affects the phonon behaviors and making a direct comparison to pure PbTe are fundamentally intriguing, which is beneficial for explaining its ultralow lattice thermal conductivity and anomalous thermal conductivity trend. Therefore, we propose to measure phonon dispersion and lifetimes of AgSbPbSnGeTe5 at varying temperatures using MERLIN, ISIS.
DOI: 10.5286/isis.e.rb2590152
title: Feasibility analysis of neutron diffraction in NiCrBSi hardfacing layer

description: Using the hot isostatic press diffusion bonding method, a 5 mm thick NiCrBSi hardfacing layer (Ni balance, 17.32% Cr, 3.45% B, 4.51% Si, 0.70% C, 4.50% Fe, all in wt.%) was successfully deposited on stainless steel. A solid-liquid coexistence heat treatment (1000 ℃, holding 30 min, air cooling) was designed to solve micro-hardness variations and presence of pores and primary particle boundaries (PPBs). Comparing with microstructures of the as-HIP diffusion bonded and heat-treated hardfacing layers, significant homogeneity of microstructures, disappearance of pores and PPBs were observed. Meanwhile, complex phase transformation occurred, with fine-grained Ni, Ni3Si, Ni3B, CrB and Cr7C3 in the as-HIP diffusion bonded hardfacing layer and large-grained Ni, Ni3Si, Ni3B, CrB, Cr7C3 and other phases in the heat treated hardfacing layer. The proposed in-situ high-temperature neutron experiment is to develop the scientific basis and fundamental understanding of phase transformation by means of solid-liquid co-existence heat treatment. Prior to this, it is necessary to conduct feasibility analysis experiment as our sample contains boron. The feasibility analysis experiment will use samples with different thickness (2 mm, 3 mm, 4 mm, 5 mm) to obtain neutron diffraction spectrums at room temperature, and then determine the most suitable sample thickness for in-situ high-temperature neutron experiment.