cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2200010-1
title: Impact of Li and mechanics on polymer dynamics in perfluoropolyether based polymers

description: Lithium metal based batteries are next-generation energy storage devices. A major challenge to industrial application of these batteries is uneven Li deposition on anode which results in dendritic growth and poor coulombic efficiency (CE). We recently reported that perfluoropolyether polymer networks with evenly spaced H-bonding sites of various mechanical strengths are useful as coatings on Li anode surface and batteries prepared with coated polymers with a weaker mechanical strength (i.e. better flowability) exhibit higher CE. We now plan to probe the polymer dynamics using QENS experiment correlate that with the measured viscosity, mechanics and ionic conductivity at room temperature. We believe that this will help us to understand the charge transport mechanism in this new material.
DOI: 10.5286/isis.e.rb2210178-2
title: Exploring orders in new double double perovskites

description: Perovskites ABO3 are important for many properties. Cation orderings can give double perovskites (DPv) and double double perovskites (DDPv = AA’BB’O6). Using high pressure-temperature synthesis, we discovered a new type of DDPv. We propose to study two further materials; 1. CaFeFeNbO6 – the first Fe-based DDPv. All previously reported DDPvs were Mn-based so CaFeFeNbO6 is an exciting development. WISH data are needed to investigate spin orders below 11 and 250 K transitions, and to measure O coordinates so BVS’s can be used to measure Fe2+/Fe3+ intersite charge transfer. 2. CaMnCoWO6 – the role of Mn/Co disorder. CaMnMnWO6 can be switched cleanly from a DDPv to a DPv polymorph leading to a switch in magnetic properties. We have subsequently prepared this new analogue - WISH PND data are needed to investigate spin order below 20 K and determine Mn/Co anti-site disorder - an extra variable.
DOI: 10.3535/2nx-60e-ddc
title: Holcus lanatus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/r79-6fn-gym
title: Stellaria graminea L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210123
title: The orientation of RIT1 on tethered bilayer lipid membranes using neutron reflectivity.

description: Rit1 is a signaling protein whose orientation at the membrane is vital for a mechanistic understanding of human cancer. Neutron reflectometry (NR) is among the few techniques that can structurally characterize this protein under physiologically relevant biomimetic conditions at the lipid membrane. We will conduct a series of NR measurements with increasing concentrations of Rit1 using a model membrane, which will characterize the conformation of the protein at the membrane as a function of crowding. This work is a direct continuation of our recent research on the functionally related KRAS protein (Van, Q. N. et al. Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane. Proc National Acad Sci 117, 24258–24268 (2020)).
DOI: 10.5286/isis.e.rb2210123-1
title: The orientation of RIT1 on tethered bilayer lipid membranes using neutron reflectivity.

description: Rit1 is a signaling protein whose orientation at the membrane is vital for a mechanistic understanding of human cancer. Neutron reflectometry (NR) is among the few techniques that can structurally characterize this protein under physiologically relevant biomimetic conditions at the lipid membrane. We will conduct a series of NR measurements with increasing concentrations of Rit1 using a model membrane, which will characterize the conformation of the protein at the membrane as a function of crowding. This work is a direct continuation of our recent research on the functionally related KRAS protein (Van, Q. N. et al. Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane. Proc National Acad Sci 117, 24258–24268 (2020)).
DOI: 10.5286/isis.e.rb2269002-1
title: The self-assembling behavior of amphiphilic waterborne polyurethane

description: Waterborne polymers are attracting significant interest in industrial applications due to being both safe and sustainable, especially when compared to traditional fabrication routes using toxic organic solvents. In this work we will look at a novel system of waterborne polymer based nanoparticles which can be used for drug delivery. We will use SANS to examine the structure of the nanoparticles and how the drug is loaded.
DOI: 10.3535/8wx-yz4-m4k
title: Lactuca viminea (L.) J. Presl & C. Presl

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ry8-y77-x0l
title: Lapsana communis subsp. communis

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210025
title: High wear surfaces - Diamond like carbon (DLC) - a novel surface for Neutron Reflection

description: There is presently a lot of interest in the NR community to apply this powerful method to industrially relevant engineering applications such as lubrication and wear. This proposal is part of a programme to understand additive behaviour at one of the most important surfaces used to prevent wear – Diamond-like coatings (DLC). The work also will provide key information for some other very novel approaches we are developing, particularly a surface quantum sensor. This particular proposal aims to obtain and understand the surface structures of molecular systems adsorbed on DLC with variations in the key parameters of temperature and coverage - dodecanoic acid and dodecylamine from model non-aqueous solvent (dodecane). This data is important in its own right but also to validate the new NMR sensor.
DOI: 10.5286/isis.e.rb2210025-1
title: High wear surfaces - Diamond like carbon (DLC) - a novel surface for Neutron Reflection

description: There is presently a lot of interest in the NR community to apply this powerful method to industrially relevant engineering applications such as lubrication and wear. This proposal is part of a programme to understand additive behaviour at one of the most important surfaces used to prevent wear – Diamond-like coatings (DLC). The work also will provide key information for some other very novel approaches we are developing, particularly a surface quantum sensor. This particular proposal aims to obtain and understand the surface structures of molecular systems adsorbed on DLC with variations in the key parameters of temperature and coverage - dodecanoic acid and dodecylamine from model non-aqueous solvent (dodecane). This data is important in its own right but also to validate the new NMR sensor.
DOI: 10.5286/isis.e.rb2269002
title: The self-assembling behavior of amphiphilic waterborne polyurethane

description: Waterborne polymers are attracting significant interest in industrial applications due to being both safe and sustainable, especially when compared to traditional fabrication routes using toxic organic solvents. In this work we will look at a novel system of waterborne polymer based nanoparticles which can be used for drug delivery. We will use SANS to examine the structure of the nanoparticles and how the drug is loaded.
DOI: 10.3535/3l9-662-747
title: Senecio sylvaticus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/5sa-jjc-1n2
title: Legousia speculum-veneris (L.) Chaix

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210055
title: Effects of multivalent cations on bacterial lipopolysaccharides (LPS) monolayer structure

description: Lipopolysaccharides (LPS) is the main component (~75%) of the Gram-negative bacteria outer membrane which can trigger lethal septic shocks when released into a host’s bloodstream. Its anionic phosphorylated and carboxylated headgroup can be targeted by cations which affect the elastic properties and structural integrity of bacterial membranes. However, such interactions are not well understood and in particular there is a gap in your knowledge of the effects of trivalent cations. Such knowledge is of fundamental importance and also of practical implications, as trivalent cations could be exploited to compromise bacterial membrane structures. Here, we propose a Neutron reflectivity (NR) study of the effects of the cations with different valence and ionic radius (Ca2+, Fe3+ and La3+) on LPS monolayers at the LB air-water interface, varying the surface pressure and the temperature.
DOI: 10.5286/isis.e.rb2210055-1
title: Effects of multivalent cations on bacterial lipopolysaccharides (LPS) monolayer structure

description: Lipopolysaccharides (LPS) is the main component (~75%) of the Gram-negative bacteria outer membrane which can trigger lethal septic shocks when released into a host’s bloodstream. Its anionic phosphorylated and carboxylated headgroup can be targeted by cations which affect the elastic properties and structural integrity of bacterial membranes. However, such interactions are not well understood and in particular there is a gap in your knowledge of the effects of trivalent cations. Such knowledge is of fundamental importance and also of practical implications, as trivalent cations could be exploited to compromise bacterial membrane structures. Here, we propose a Neutron reflectivity (NR) study of the effects of the cations with different valence and ionic radius (Ca2+, Fe3+ and La3+) on LPS monolayers at the LB air-water interface, varying the surface pressure and the temperature.
DOI: 10.5286/isis.e.rb2210259-1
title: The Skyrmion Lattice and Other Non-collinear Spin Structures in Centrosymmetric GdRu2Si2

description: Skyrmions in magnetic materials are two-dimensional vortex-like spin configurations with an integer topological winding number. GdRu2Si2 is a centrosymmetric material, in which a skyrmion lattice has recently been discovered using resonant elastic x-ray scattering. In this experiment, using WISH and a sample of 160-GdRu2Si2, we intend to examine the full range of non-collinear spin structures that are present in the phase diagram. This will include studying the field and temperature driven evolutions between the nanometric-skyrmion lattice, fan phase, screw phase and a previously uninvestigated phase which we have detected. A comprehensive knowledge of all the magnetic states in GdRu2Si2 will be invaluable for any model of the complex magnetism in this material.
DOI: 10.3535/x3r-xl7-7fz
title: Agrimonia procera Wallr.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210083
title: Pressure-dependent behaviour of an incommensurately modulated polar helical texture of copper-substituted bismuth manganite

description: A recently high-pressure-synthesised BiCu0.1Mn6.9O12 (Science 369 (2020) 680) is the first known bulk material with electric dipoles spontaneously ordered into an incommensurate helix. Moreover, the chiral dipole texture couples to an improper electrical polarization offering a unique opportunity to control the chiral domains and their associated optical activity by an applied electric field at room temperature. To exploit this discovery as well as to develop processing units based on compressively-strained epitaxial films of this material, the data on pressure-dependent behaviour are needed. We propose to obtain the detailed structural data in the pressure range between ambient pressure and about 9 GPa, in which the changes in both the fundamental diffraction reflections and the satellite reflections resulted from the modulation were observed in the preliminary experiment.
DOI: 10.5286/isis.e.rb2210083-1
title: Pressure-dependent behaviour of an incommensurately modulated polar helical texture of copper-substituted bismuth manganite

description: A recently high-pressure-synthesised BiCu0.1Mn6.9O12 (Science 369 (2020) 680) is the first known bulk material with electric dipoles spontaneously ordered into an incommensurate helix. Moreover, the chiral dipole texture couples to an improper electrical polarization offering a unique opportunity to control the chiral domains and their associated optical activity by an applied electric field at room temperature. To exploit this discovery as well as to develop processing units based on compressively-strained epitaxial films of this material, the data on pressure-dependent behaviour are needed. We propose to obtain the detailed structural data in the pressure range between ambient pressure and about 9 GPa, in which the changes in both the fundamental diffraction reflections and the satellite reflections resulted from the modulation were observed in the preliminary experiment.
DOI: 10.5286/isis.e.rb2210259
title: The Skyrmion Lattice and Other Non-collinear Spin Structures in Centrosymmetric GdRu2Si2

description: Skyrmions in magnetic materials are two-dimensional vortex-like spin configurations with an integer topological winding number. GdRu2Si2 is a centrosymmetric material, in which a skyrmion lattice has recently been discovered using resonant elastic x-ray scattering. In this experiment, using WISH and a sample of 160-GdRu2Si2, we intend to examine the full range of non-collinear spin structures that are present in the phase diagram. This will include studying the field and temperature driven evolutions between the nanometric-skyrmion lattice, fan phase, screw phase and a previously uninvestigated phase which we have detected. A comprehensive knowledge of all the magnetic states in GdRu2Si2 will be invaluable for any model of the complex magnetism in this material.
DOI: 10.3535/411-fcq-92r
title: Silene latifolia subsp. alba (Mill.) Greuter & Burdet

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/v37-23j-h4j
title: Cyperus esculentus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210096
title: Membrane interactions and drug distribution of lipidic nanocapsules

description: Retinal diseases are often progressive conditions that worsen over time, potentially causing permanent vision impairment. There are several retinal disorders, including neurodegenerative diseases of the retina, which are still lacking a valid treatment. As new classes of drugs are developed to tackle retinal degeneration, a suitable carrier system is essential for delivery of the drug to the retinal tissues. Lipidic nanocapules (LNCs) are thought to enable delivery of drug to the retinal tissue after intravitreal injection, but it is not clear if the LNCs interact with the cell membrane and if this is important for the delivery of the drug to the retina. In the study proposed here, the goal is to take a first step in understanding the mechanistic interaction of LNCs with mammalian cell membrane models, which will inform improved formulation development and modification of drug release.
DOI: 10.5286/isis.e.rb2210096-1
title: Membrane interactions and drug distribution of lipidic nanocapsules

description: Retinal diseases are often progressive conditions that worsen over time, potentially causing permanent vision impairment. There are several retinal disorders, including neurodegenerative diseases of the retina, which are still lacking a valid treatment. As new classes of drugs are developed to tackle retinal degeneration, a suitable carrier system is essential for delivery of the drug to the retinal tissues. Lipidic nanocapules (LNCs) are thought to enable delivery of drug to the retinal tissue after intravitreal injection, but it is not clear if the LNCs interact with the cell membrane and if this is important for the delivery of the drug to the retina. In the study proposed here, the goal is to take a first step in understanding the mechanistic interaction of LNCs with mammalian cell membrane models, which will inform improved formulation development and modification of drug release.
DOI: 10.5286/isis.e.rb2210186-1
title: What happens when antioxidants are added to reverse micelles in oils?

description: Both antioxidants (AOs (1)) and reverse micelles (RMs) are essential components of typical lubrication oils for internal combustion engines (ICEs), so it is of interest to understand how they interact. Typical AOs, such as shown in Figure 2, prevent oxidation of base oils which would otherwise generate unwanted deposits and contaminants. Looking at these AOs, it can be anticipated that they partition differently between oil-interface-water, hence the need for SANS contrast variation studies.
DOI: 10.3535/hc0-rzy-3lt
title: Geum urbanum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nbh-jvb-292
title: Phyteuma orbiculare L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2010731
title: Electrochemical cell for total neutron scattering: operando study of Na vs hard carbon batteries. Elucidating structural changes during char

description: Sodium ion (Na-ion) batteries are receiving a significant amount of attention as a technology for grid scale energy storage. This is due to the large abundance of low cost of materials used in a Na-ion battery relative to those use in Li-ion batteries, as well as their increased safety. However, finding suitable electrode materials for Na-ion batteries is a large challenge. One promising material typically used in Na-ion batteries is “hard carbon”, which can tunably be made from inexpensive biomass sources. In this experiment, we will use the unique capability of the NIMROD instrument at ISIS, in conjunction with a recently developed electrochemical cell, which allows us to look at materials in a battery whilst it charges or discharges. We will do this in order to make a working Sodium / hard carbon battery in order to better understand the mechanism of Sodium storage in hard carbon.
DOI: 10.5286/isis.e.rb2010731-1
title: Electrochemical cell for total neutron scattering: operando study of Na vs hard carbon batteries. Elucidating structural changes during char

description: Sodium ion (Na-ion) batteries are receiving a significant amount of attention as a technology for grid scale energy storage. This is due to the large abundance of low cost of materials used in a Na-ion battery relative to those use in Li-ion batteries, as well as their increased safety. However, finding suitable electrode materials for Na-ion batteries is a large challenge. One promising material typically used in Na-ion batteries is “hard carbon”, which can tunably be made from inexpensive biomass sources. In this experiment, we will use the unique capability of the NIMROD instrument at ISIS, in conjunction with a recently developed electrochemical cell, which allows us to look at materials in a battery whilst it charges or discharges. We will do this in order to make a working Sodium / hard carbon battery in order to better understand the mechanism of Sodium storage in hard carbon.
DOI: 10.5286/isis.e.rb2210186
title: What happens when antioxidants are added to reverse micelles in oils?

description: Both antioxidants (AOs (1)) and reverse micelles (RMs) are essential components of typical lubrication oils for internal combustion engines (ICEs), so it is of interest to understand how they interact. Typical AOs, such as shown in Figure 2, prevent oxidation of base oils which would otherwise generate unwanted deposits and contaminants. Looking at these AOs, it can be anticipated that they partition differently between oil-interface-water, hence the need for SANS contrast variation studies.
DOI: 10.3535/ba3-8yq-kwb
title: Hypericum perforatum subsp. perforatum

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/n6k-jka-a96
title: Campanula patula subsp. patula

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210188-1
title: CELLULAR DYNAMICS AS A MARKER OF NORMAL-TO-CANCER TRANSFORMATION

description: Normal to cancer transition (NTC), an ill understood process, has been shown to be closely associated to cell´s biomechanical properties which are dependant on the dynamical profile of the intracellular medium.Previous QENS experiments performed by the applicants to monitor the impact of drugs on the cytomatrix of cancer cells, as well as the influence of intracellular water dynamics on NTC transformation, evidenced the suitability of this approach for unveiling particular dynamical features of malignancy and achieving a better understanding of the NTC transition. The present proposal aims to extend these QENS studies to distinct types of human cancers, by using the unique capabilities of LET for QENS studies in order to help us characterise the different dynamical processes taking place within the heterogeneous cellular systems and how they change between healthy and malignant cells.
DOI: 10.5286/isis.e.rb2210302
title: Understanding the encapsulation and release of drugs by responsive supramolecular cyclic peptide nanotubes

description: Cyclic peptides with alternating side chain stereochemistry are capable of self-assembling intolong nanotubes. The conjugation of hydrophilic and hydrophobic polymers to these peptides leads to self-assembly of ‘tubisomes’, supramolecular assemblies of nanotubes. We have demonstrated that hydrophobic drugs, such as doxorubicin (a common chemotherapy agent), can be encapsulated within tubisomes. We have engineered photo-responsiveness into these tubisomes, such that the particles disassemble upon exposure to UV light to release their therapeutic cargo. Here, we propose to use SANS to understand the chemical factors which influence the capacity of these materials to encapsulate drugs and their morphology in solution, and understand the disassembly mechanism upon exposure to UV light. This will enable the optimised design of controlled, tuneable tubisomes as drug delivery vectors.
DOI: 10.5286/isis.e.rb2210302-1
title: Understanding the encapsulation and release of drugs by responsive supramolecular cyclic peptide nanotubes

description: Cyclic peptides with alternating side chain stereochemistry are capable of self-assembling intolong nanotubes. The conjugation of hydrophilic and hydrophobic polymers to these peptides leads to self-assembly of ‘tubisomes’, supramolecular assemblies of nanotubes. We have demonstrated that hydrophobic drugs, such as doxorubicin (a common chemotherapy agent), can be encapsulated within tubisomes. We have engineered photo-responsiveness into these tubisomes, such that the particles disassemble upon exposure to UV light to release their therapeutic cargo. Here, we propose to use SANS to understand the chemical factors which influence the capacity of these materials to encapsulate drugs and their morphology in solution, and understand the disassembly mechanism upon exposure to UV light. This will enable the optimised design of controlled, tuneable tubisomes as drug delivery vectors.
DOI: 10.21233/n34v2n
title: Yathkyed Lake Site 3 pollen surface sample dataset

description: Raw data for the Yathkyed Lake Site 3 pollen surface sample dataset submitted to the Neotoma Paleoecology Database. Data is available through the landing page in JSON format. The landing page referenced by the DOI also contains links to publications and a map-based viewer for the dataset. The Neotoma Paleoecology Database maintains a homepage at https://www.neotomadb.org.
DOI: 10.3535/jqb-le0-tnc
title: Sagina procumbens L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.