cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2220120
title: PfEMP1-membrane interactions in the presence of the mammalian receptors EPCR and ICAM1

description: Cerebral malaria is the most severe complication of infection by Plasmodium falciparum malaria parasites. The parasites express members of the variable adhesion protein family, known as PfEMP1, onto the surface of Infected erythrocytes (IEs). We have previously established that severe outcomes of P. falciparum infection is associated with PfEMP1 binding to the human endothelial protein C receptor (EPCR) and ICAM1. More recently, we have collected the Cryo-TEM the structure of the ectodomain of the HB3-var3 PfEMP1 variant (here named sHB3-var3) alone and in complex with EPCR and ICAM1. We have also collected QCM-D and NR data that showed sHB3-var3 selective affinity for lipid membranes containing anionic phospholipids. We are now interested in investigating how the binding of sHB3-var3 to EPCR and ICAM1 affect the sHB3-var3 location on the bilayer surface.
DOI: 10.5286/isis.e.rb2410056
title: Topochemical lithium deintercalation of main-group oxide anion-redox cathode materials

description: Li-ion batteries, based on complex transition-metal oxide cathodes have become essential, energy-dense, rechargeable power sources for a wide range of electronic devices. It has been proposed that by harnessing the redox activity of the oxide anions in these materials (in addition to the metal cations) the energy storage capacities of cathode materials can be enhanced. To investigate this possibility we have prepared a series of ‘model’ compounds which only exhibit anion redox activity, so we can more easily study the nature of the ‘oxidized anion species’ present. We propose to collect neutron powder diffraction data from a series of de-lithiated anion-redox cathode materials, to better understand how their crystal structures evolve as lithium is extracted from them, both in terms of lithium-vacancy ordering and the possible formation of [O2]2- peroxide ions within the material.
DOI: 10.5286/isis.e.rb2410056-1
title: Topochemical lithium deintercalation of main-group oxide anion-redox cathode materials

description: Li-ion batteries, based on complex transition-metal oxide cathodes have become essential, energy-dense, rechargeable power sources for a wide range of electronic devices. It has been proposed that by harnessing the redox activity of the oxide anions in these materials (in addition to the metal cations) the energy storage capacities of cathode materials can be enhanced. To investigate this possibility we have prepared a series of ‘model’ compounds which only exhibit anion redox activity, so we can more easily study the nature of the ‘oxidized anion species’ present. We propose to collect neutron powder diffraction data from a series of de-lithiated anion-redox cathode materials, to better understand how their crystal structures evolve as lithium is extracted from them, both in terms of lithium-vacancy ordering and the possible formation of [O2]2- peroxide ions within the material.
DOI: 10.34816/ifao.archives.232789
title: SAQQARA_nb_1994_03364

description: Référence : nb_1994_03364<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/7h5-07h-brn
title: Apiaceae Lindl.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rn2-98p-p6z
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220659-3
title: Operando neutron diffraction to study an LNTO disordered rocksalt (DRX) material as a lithium-ion battery (LIB) cathode

description: Materials with a disordered rocksalt (DRX) structure have become a focus in the field of lithium-ion battery (LIB) cathode materials. In this work, DRX materials with composition Li1.2Ni0.2Ti0.6O2 have been synthesised due to the high theoretical capacity of this composition. Little work in the literature explores Ni-Ti DRX voltage profiles beyond the first charge cycle and so this work aims to understand the redox processes and structural changes taking place in these later cycles using neutron powder diffraction measurements of pristine powders as well as operando neutron diffraction measurements of cells in the first two charge/discharge cycles using the custom-built cell that was developed at ISIS. We will compare the differences in structural changes that occur when using different synthesis methods to produce the same LNTO composition.
DOI: 10.5286/isis.e.rb2410108
title: Probing the network in low molecular weight gels

description: We can prepare a range of useful soft materials by self-assembling small functionalised peptides in water. Typically micellar dispersions are prepared at high pH and gels at low pH. The properties of the gels are high process dependent. In the gel state, most of our SANS can be fitted to cylindrical models, most typically flexible cylinder and flexible ellitptical cylinders. However, we often have to include a power law to take into account the excess scattering at low Q. We assume that this scattering is due to the network that is formed leading to a relatively complex fractal structure. Here, we wish to collect data over a wide Q range for a range of gels that give different properties and attempt to start to build an understanding as to the origin of this excess scattering.
DOI: 10.5286/isis.e.rb2410108-1
title: Probing the network in low molecular weight gels

description: We can prepare a range of useful soft materials by self-assembling small functionalised peptides in water. Typically micellar dispersions are prepared at high pH and gels at low pH. The properties of the gels are high process dependent. In the gel state, most of our SANS can be fitted to cylindrical models, most typically flexible cylinder and flexible ellitptical cylinders. However, we often have to include a power law to take into account the excess scattering at low Q. We assume that this scattering is due to the network that is formed leading to a relatively complex fractal structure. Here, we wish to collect data over a wide Q range for a range of gels that give different properties and attempt to start to build an understanding as to the origin of this excess scattering.
DOI: 10.3535/t31-j5z-hfk
title: Bothriochloa ischaemum (L.) Keng

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wfd-8aj-4hj
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220561
title: Competing inter-molecular interactions in sulfur containing systems: SH vs OH
DOI: 10.5286/isis.e.rb2220561-3
title: Competing inter-molecular interactions in sulfur containing systems: SH vs OH

description: SH groups are the constituents of proteins, amino acids and other biomolecules and their role in solution is central for many biological processes such as protein folding, molecular recognition and protein three-dimensional stability. By contrast with oxygen, sulfur exhibits lower electronegativity and increased polarizability which manifest as different trends of inter-molecular interactions. The ability of sulfur to hydrogen bond has been known for long time but a full understanding of the nature, directionality and strength of these bonding motifs is still lacking. This proposal will investigate the competition among fundamental interactions involving SH groups in solution and will answer fundamental questions about the role of sulfur in hydrogen bonding stability.
DOI: 10.5286/isis.e.rb2310271-1
title: Probing low energy spin excitations in rhombus lattice-based system: LiYbSiO4

description: In modern condensed matter physics, competing or frustrated interactions are the foundation of many unusual phenomena, such as quantum spin ice and quantum spin liquids (QSL). Recently, there has been an inclination of interest toward magnetic frustration caused by competing interactions rather than geometry. A QSL phase can be characterized by quantum fluctuations, and one can use inelastic neutron scattering (INS) to probe the same. Notably, in the case of Yb-based QSL systems, the presence of spin-orbit coupling (SOC) and crystal electric field (CEF) can split the eight degenerate states into four Kramers doublets. Further, anisotropic exchange interactions can split the ground Kramers doublet, and the energy difference between these levels is shallow compared to CEF levels. Here, we propose to study the various anomalies observed in the heat capacity data of LiYbSiO4 by using INS.
DOI: 10.34816/ifao.archives.232790
title: SAQQARA_nb_1994_03375

description: Référence : nb_1994_03375<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/afd-3fh-v2r
title: Hypericum thymifolium Banks & Sol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/vdp-fqf-qh8
title: Bellis perennis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310271
title: Probing low energy spin excitations in rhombus lattice-based system: LiYbSiO4

description: In modern condensed matter physics, competing or frustrated interactions are the foundation of many unusual phenomena, such as quantum spin ice and quantum spin liquids (QSL). Recently, there has been an inclination of interest toward magnetic frustration caused by competing interactions rather than geometry. A QSL phase can be characterized by quantum fluctuations, and one can use inelastic neutron scattering (INS) to probe the same. Notably, in the case of Yb-based QSL systems, the presence of spin-orbit coupling (SOC) and crystal electric field (CEF) can split the eight degenerate states into four Kramers doublets. Further, anisotropic exchange interactions can split the ground Kramers doublet, and the energy difference between these levels is shallow compared to CEF levels. Here, we propose to study the various anomalies observed in the heat capacity data of LiYbSiO4 by using INS.
DOI: 10.5286/isis.e.rb2410711-1
title: Analysis of triaxial residual stress distributions after local repair by means of cold gas repair spraying

description: Residual stress maps will be determined by means of TOF neutron stress analysis at ENGIN-X for samples of the alloy 718 (INCONEL) that were repaired by cold gas spraying (CGS). Two CGS strategies were chosen to fill local repair cavities (1) conventional spraying (no masking of the spay jet) and (2) masking of the spray jet to reduce the excess material. As sprayed conditions will be compared to samples that were finished by machining away the excess material. Changes to the resulting residual stress distributions will be discussed by this systematic study to understand the influence of the excess material.
DOI: 10.3535/kza-8j4-4e6
title: Helictotrichon convolutum (C.Presl) Henrard

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310684-2
title: Ex Situ Muon Spectroscopy Investigation of Na+ Diffusion in Prototypic Sodium-ion Cathode Materials

description: The ever-increasing demand for low carbon energy storage has motivated global research efforts to design, develop, and optimise batteries with lower cost, longer life, and higher energy and power density. Na-ion technology is regarded as a good complimentary battery system to Li-ion, and layered oxide cathode materials NaxMO2 have the greatest potential for commercialisation. We request 4 days on EMU to study and contrast the diffusion rates of sodium ions in the four prototypic layered sodium-ion battery cathode materials labelled O3, P2, P3 and O2. This proposal is part of a fundamental, combined experimental and computational approach where muon spectroscopy, high resolution powder diffraction and electrochemical measurements will be used to corroborate the atomistic models of sodium-ion diffusion obtained from non-equilibrium molecular dynamics (NEMD). This research underpins our challenge to discover the highest power density high-performance batteries.
DOI: 10.5286/isis.e.rb2410711
title: Analysis of triaxial residual stress distributions after local repair by means of cold gas repair spraying

description: Residual stress maps will be determined by means of TOF neutron stress analysis at ENGIN-X for samples of the alloy 718 (INCONEL) that were repaired by cold gas spraying (CGS). Two CGS strategies were chosen to fill local repair cavities (1) conventional spraying (no masking of the spay jet) and (2) masking of the spray jet to reduce the excess material. As sprayed conditions will be compared to samples that were finished by machining away the excess material. Changes to the resulting residual stress distributions will be discussed by this systematic study to understand the influence of the excess material.
DOI: 10.34816/ifao.archives.232791
title: SAQQARA_nb_1994_05954

description: Référence : nb_1994_05954<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/2k1-f4n-4x9
title: Poa glauca Vahl

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/s4e-l28-7rl
title: Aegilops geniculata Roth

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2300075-1
title: Investigating Structure and Dynamic Phenomena in Ionic Liquids using MuSR

description: Ionic Liquids (ILs) are a remarkable class of liquids that are receiving huge attention for their potential in a range of applications as diverse as solvents for synthesis, or as functional materials in electrochemical devices. This potential arises because of the structures and solvent environments that they present, which have some similarities to other complex liquid systems such as molten salts, liquid crystals and glasses, but in combination are unique to ILs. Although there is an extended worldwide study on ILs, the understanding of their structural nanoscopic behaviour is still limited. The ‘designer solvent’ concept of ILs requires in-depth understanding of how molecular properties lead to macroscopic behaviours. For dynamic properties of solutes, this remains elusive. Preliminary studies on the structure and dynamic phenomena of ILs using EPR spectroscopy have shown that the nature and chemistry of the solute significantly affects the chemical environment it experience. A major bottleneck in finding an appropriate probe for studying the nanoscopic behaviour of ILs is the size of the probe itself, as molecular probes tend to be significantly affected by the macroscopic properties of the system, such as viscosity. In this project we intend to use MuSR spectroscopy to understand the chemical environment inside an IL, as the incredibly small size of muons could make them ideal probes for our research.
DOI: 10.5286/isis.e.rb2410344
title: High-energy spin excitations in a bilayer nickelate high-Tc superconductor

description: The quest for new high-temperature superconductors has attracted intense research efforts over the years. Recently, the bilayer nickelate La3Ni2O7 emerges as a potential new high-Tc superconductor. It features a bilayer NiO2 square structure with active 3d_{x^2-y^2} and 3d_{z^2} orbitals, with 1/4 and 1/2 filling fractions respectively. The p-orbital of apical oxygen connecting adjacent NiO2 layers couples the two nearest-neighbors 3d_{z^2} orbitals and mediates a super-exchange interaction between them, which is antiferromagnetic (AFM). Density functional theory calculations and several theoretical models suggest the important role this interaction played in the superconducting pairing mechanism. Hence, the verification of this theoretical framework is of paramount importance in unraveling the underlying superconducting mechanism. Given the presence of AFM interlayer coupling and half-filling of 3d_{z^2} orbitals, a Mott localized phase is anticipated with rung singlet formed at every site. Importantly, if this scenario is indeed correct, such singlet couplings should manifest even under ambient pressure, as the pressure required to induce superconductivity is relatively modest. Therefore, we proposal to measure the high-energy spin excitations of La3Ni2O7, with the objective of detecting potential excitations arising from the formation of spin singlets by 3d_{z^2} electrons.
DOI: 10.5286/isis.e.rb2410344-1
title: High-energy spin excitations in a bilayer nickelate high-Tc superconductor

description: The quest for new high-temperature superconductors has attracted intense research efforts over the years. Recently, the bilayer nickelate La3Ni2O7 emerges as a potential new high-Tc superconductor. It features a bilayer NiO2 square structure with active 3d_{x^2-y^2} and 3d_{z^2} orbitals, with 1/4 and 1/2 filling fractions respectively. The p-orbital of apical oxygen connecting adjacent NiO2 layers couples the two nearest-neighbors 3d_{z^2} orbitals and mediates a super-exchange interaction between them, which is antiferromagnetic (AFM). Density functional theory calculations and several theoretical models suggest the important role this interaction played in the superconducting pairing mechanism. Hence, the verification of this theoretical framework is of paramount importance in unraveling the underlying superconducting mechanism. Given the presence of AFM interlayer coupling and half-filling of 3d_{z^2} orbitals, a Mott localized phase is anticipated with rung singlet formed at every site. Importantly, if this scenario is indeed correct, such singlet couplings should manifest even under ambient pressure, as the pressure required to induce superconductivity is relatively modest. Therefore, we proposal to measure the high-energy spin excitations of La3Ni2O7, with the objective of detecting potential excitations arising from the formation of spin singlets by 3d_{z^2} electrons.
DOI: 10.3535/8bd-3zc-818
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wrc-rsm-w2m
title: Catapodium rigidum (L.) C.E.Hubb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2300075
title: Investigating Structure and Dynamic Phenomena in Ionic Liquids using MuSR

description: Ionic Liquids (ILs) are a remarkable class of liquids that are receiving huge attention for their potential in a range of applications as diverse as solvents for synthesis, or as functional materials in electrochemical devices. This potential arises because of the structures and solvent environments that they present, which have some similarities to other complex liquid systems such as molten salts, liquid crystals and glasses, but in combination are unique to ILs. Although there is an extended worldwide study on ILs, the understanding of their structural nanoscopic behaviour is still limited. The ‘designer solvent’ concept of ILs requires in-depth understanding of how molecular properties lead to macroscopic behaviours. For dynamic properties of solutes, this remains elusive. Preliminary studies on the structure and dynamic phenomena of ILs using EPR spectroscopy have shown that the nature and chemistry of the solute significantly affects the chemical environment it experience. A major bottleneck in finding an appropriate probe for studying the nanoscopic behaviour of ILs is the size of the probe itself, as molecular probes tend to be significantly affected by the macroscopic properties of the system, such as viscosity. In this project we intend to use MuSR spectroscopy to understand the chemical environment inside an IL, as the incredibly small size of muons could make them ideal probes for our research.
DOI: 10.5286/isis.e.rb2410633
title: Proving the Kitaev Ground State Doublet in Honeycomb SmI3

description: We propose to confirm the crystal field level spacing in Kitaev candidate SmI3. Unlike other rare earth halides on the honeycomb lattice, Sm presents the first possibility for a Gamma-7 doublet, leading to an effective spin-1/2 model consistent with the Kitaev model. Confirming the level scheme is an extremely important step in modeling the ground state of the system. We will overcome the challenges of Sm absorption issues based on our experience with other Sm-based materials, specifically by constructing an array of thin single crystals on a Si wafer.
DOI: 10.5286/isis.e.rb2410633-1
title: Proving the Kitaev Ground State Doublet in Honeycomb SmI3

description: We propose to confirm the crystal field level spacing in Kitaev candidate SmI3. Unlike other rare earth halides on the honeycomb lattice, Sm presents the first possibility for a Gamma-7 doublet, leading to an effective spin-1/2 model consistent with the Kitaev model. Confirming the level scheme is an extremely important step in modeling the ground state of the system. We will overcome the challenges of Sm absorption issues based on our experience with other Sm-based materials, specifically by constructing an array of thin single crystals on a Si wafer.
DOI: 10.5286/isis.e.rb2490192-1
title: Neutron transmission tests on dry and wet paper
DOI: 10.34816/ifao.archives.232792
title: SAQQARA_nb_1994_05963

description: Référence : nb_1994_05963<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/azg-ejb-3kn
title: Poa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/mlx-7gb-xhy
title: Poa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2220562
title: Competition between halogen and hydrogen bonding in ND4ICl2

description: Hydrogen and halogen bonding are two of the most important intermolecular forces in chemistry and biology. NH4ICl2 consists of NH4+ cations and ICl2- anions, the latter of which deviates considerably from the symmetric geometry most often encountered. One of the I-Cl distances is at the upper end then of those previously reported for this ion; and is intermediate in length between an I-Cl bond and an I---Cl halogen bond, with the chlorine atom involved in several hydrogen bonds of varying strength. The other I-Cl bond is closer to that seen in ICl. Earlier NQR studies suggest that electronic structure of the ICl2? ion alters upon cooling to liquid nitrogen temperature because of changes in the reorientational motion of the ammonium ion. We will carry out a variable temperature experiment to investigate how hydrogen and halogen bonding respond to temperature when they comprise one system.
DOI: 10.5286/isis.e/isis.e.rb2220562-1
title: Competition between halogen and hydrogen bonding in ND4ICl2

description: Hydrogen and halogen bonding are two of the most important intermolecular forces in chemistry and biology. NH4ICl2 consists of NH4+ cations and ICl2- anions, the latter of which deviates considerably from the symmetric geometry most often encountered. One of the I-Cl distances is at the upper end then of those previously reported for this ion; and is intermediate in length between an I-Cl bond and an I---Cl halogen bond, with the chlorine atom involved in several hydrogen bonds of varying strength. The other I-Cl bond is closer to that seen in ICl. Earlier NQR studies suggest that electronic structure of the ICl2? ion alters upon cooling to liquid nitrogen temperature because of changes in the reorientational motion of the ammonium ion. We will carry out a variable temperature experiment to investigate how hydrogen and halogen bonding respond to temperature when they comprise one system.
DOI: 10.3535/lv8-5y5-697
title: Poa L.

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