cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2210173
title: Structural phase transitions in a new LiNbO3-type ferroelectric-like \2018metal\2019

description: Ferroelectric metals combining ferroelectricity and metallicity two seemingly mutually exclusive properties in one system, was proposed over 50 years old and was revitalized by the recent discovery of the first unambiguous polar metal LiOsO3 with LiNbO3-type structure. A continuos structural phase transition from centrosymmetric to non-centrosymmetric group is considered as one criterion of ferroelectric metal. We successfully synthesized a novel LiNbO3-type oxide LiMoO3 using high pressure method. Neutron powder diffraction would be helpful in determining Li positions and occupancy more precisely than synchrotron X-ray diffraction owing to the higher sensitivity of Li to scattering of neutrons. To allow us to solve the crystal structure and phase transition, we propose a variable-temperature (1.5 - 300 K) neutron powder diffraction experiment to be performed on WISH.
DOI: 10.5286/isis.e.rb2210173-1
title: Structural phase transitions in a new LiNbO3-type ferroelectric-like \2018metal\2019

description: Ferroelectric metals combining ferroelectricity and metallicity two seemingly mutually exclusive properties in one system, was proposed over 50 years old and was revitalized by the recent discovery of the first unambiguous polar metal LiOsO3 with LiNbO3-type structure. A continuos structural phase transition from centrosymmetric to non-centrosymmetric group is considered as one criterion of ferroelectric metal. We successfully synthesized a novel LiNbO3-type oxide LiMoO3 using high pressure method. Neutron powder diffraction would be helpful in determining Li positions and occupancy more precisely than synchrotron X-ray diffraction owing to the higher sensitivity of Li to scattering of neutrons. To allow us to solve the crystal structure and phase transition, we propose a variable-temperature (1.5 - 300 K) neutron powder diffraction experiment to be performed on WISH.
DOI: 10.5286/isis.e.rb2210305-1
title: Low-temperature magnetic excitations in a 3D S=1/2 bcc quantum spin-liquid candidate

description: A quantum spin-liquid (QSL) state is a highly correlated and long-range entangled state of matter, which evades any thermodynamic phase-transition and remains dynamically disordered as a result of quantum fluctuations. QSL state in 1D is well established, but in a sense much restricted compared to all the varieties of QSL predicted for 2D and 3D. Rare-earth based pyrochlore and hyperkagome materials have been extensively studied since they can host very exotic ground-states stabilized by anisotropic interactions, but identifying the true key ingredients of their low-T physics may be cumbersome. Here, we propose to investigate a more simple (3d), copper-based material that we have recently synthesized as single crystals. and identified as a QSL candidate. We now wish to identify the nature of its low energy excitation using inelastic neutron scattering.
DOI: 10.3535/1qf-bmk-rhd
title: Miconia crenata (Vahl) Michelang.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/4rb-wte-slc
title: Hyptis capitata Jacq.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2200017
title: IROC Technologies / Integrated Circuits SER tests

description: Integrated Circuits will be tested at ChipIr beam line to reproduce errors induced by terrestrial radiation effects from fast neutrons. Radiation effects tests are part of the overall reliability of electronic components used in several market such as automotive, medical or networking.
DOI: 10.5286/isis.e.rb2200017-1
title: IROC Technologies / Integrated Circuits SER tests

description: Integrated Circuits will be tested at ChipIr beam line to reproduce errors induced by terrestrial radiation effects from fast neutrons. Radiation effects tests are part of the overall reliability of electronic components used in several market such as automotive, medical or networking.
DOI: 10.5286/isis.e.rb2210077
title: Understanding the Nature of Aggregation in a New Group of Surfactants (Aduxols) by Neutron Scattering

description: Aduxols are quaternary amine surfactants where two ethoxylate chains and a single EO replace the three methyl groups that normally quaternize the ammonium. This is a new configuration for EO containing ionic surfactants. The unusual position of the charge is already known to screen out most of the effect of added electrolyte and should also lead to interesting new mixing charctacteristics with other surfactants, especially ones of opposite charge. We propose to start by determining the main charcteristics of the micellar structure with and without electrolyte and using deuterium labelling to distinguish EO and alkyl groups.
DOI: 10.3535/fbp-l61-r8e
title: Psychotria costivenia subsp. clementis (Britton) Borhidi & Oviedo

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/jqk-pqt-20c
title: Rhynchospora pruinosa Griseb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210077-1
title: Understanding the Nature of Aggregation in a New Group of Surfactants (Aduxols) by Neutron Scattering

description: Aduxols are quaternary amine surfactants where two ethoxylate chains and a single EO replace the three methyl groups that normally quaternize the ammonium. This is a new configuration for EO containing ionic surfactants. The unusual position of the charge is already known to screen out most of the effect of added electrolyte and should also lead to interesting new mixing charctacteristics with other surfactants, especially ones of opposite charge. We propose to start by determining the main charcteristics of the micellar structure with and without electrolyte and using deuterium labelling to distinguish EO and alkyl groups.
DOI: 10.5286/isis.e.rb2210178
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: 10.5286/isis.e.rb2210178-1
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: 10.3535/890-z2g-1h9
title: Miconia impetiolaris (Sw.) D. Don

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210355
title: Molecular interactions in the two-component system of the accessory gene regulator of Staphylococcus aureus

description: Two component systems are common response mechanism to extracellular stimuli in bacteria. Sensory element activation triggers ATP-dependent autophosphorylation and the recruitment of a downstream response mediating transcription factor. We propose to study the association between soluble catalytic domain from the accessory gene regulator in S. aureus, AgrC, and its downstream response partner, AgrA, responsible for modulation of virulence and collective bacterial behaviour. Deuterated components will be characterised in the presence of ATP or non-hydrolysable ATP analogues and the assembly of the complex will be monitored by SANS.
DOI: 10.5286/isis.e.rb2210375
title: Influence of grafting density, temperature, and reaction conditions on the distribution of reactive dye molecules within polymer brushes

description: The long-range transport of energy is an ongoing and non-facile, scientific challenge. Our approach to address this challenge is to harness the physical phenomena known as strong coupling, which has the potential to allow transport of energy (electron-hole pairs) over the nm to mm range. Crucial to realising this approach is the anchoring and orientating pigments in 3D at interfaces. We have shown that polymer brushes can act as scaffolds for several dye molecules. Various techniques have shown the presence of the dyes and spectroscopic techniques have allowed for characterisation of the optical properties of the system. However, a paucity exists in our understanding of the spatial distribution of the dyes at the interface. Further, we wish to understand how the properties of the film can be programmed by regulating the polymer scaffold parameters as well as the environmental conditions.
DOI: 10.5286/isis.e.rb2210375-1
title: Influence of grafting density, temperature, and reaction conditions on the distribution of reactive dye molecules within polymer brushes

description: The long-range transport of energy is an ongoing and non-facile, scientific challenge. Our approach to address this challenge is to harness the physical phenomena known as strong coupling, which has the potential to allow transport of energy (electron-hole pairs) over the nm to mm range. Crucial to realising this approach is the anchoring and orientating pigments in 3D at interfaces. We have shown that polymer brushes can act as scaffolds for several dye molecules. Various techniques have shown the presence of the dyes and spectroscopic techniques have allowed for characterisation of the optical properties of the system. However, a paucity exists in our understanding of the spatial distribution of the dyes at the interface. Further, we wish to understand how the properties of the film can be programmed by regulating the polymer scaffold parameters as well as the environmental conditions.
DOI: 10.21233/n3549c
title: Nueltin Lake Site 9 pollen surface sample dataset

description: Raw data for the Nueltin Lake Site 9 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: 10.3535/01q-j34-cgb
title: Eugenia rigidifolia A. Rich.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/1yk-2pa-7s0
title: Lundinia plumbea (Griseb.) B. Nord.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210231
title: Coupled Magnetoelectric materials via Cation exchange

description: Magnetoelectric materials – those that exhibit coupled ferromagnetic and ferroelectric behaviour – are predicted to have applications in a wide range of electronic devices.We have been using low-temperature cation-exchange reactions to substitute paramagnetic ions into hybrid-improper ferroelectric phases with the aim of inducing magnetoelectric coupling.Following this approach, we prepared MnSrNb2O7, FeSrNb2O7, CoSrNb2O7 and NiSrNb2O7.Magnetisation data indicate all 4 samples exhibit low-temperature phase transitions to ordered magnetic states which are accompanied by lattice parameter anomalies, suggestive of magnetoelectric coupling. We propose to collect high-resolution neutron powder diffraction data from these phases, as a function of temperature, through the magnetic and associated structural phase transitions to establish the nature of these features.
DOI: 10.5286/isis.e.rb2210231-1
title: Coupled Magnetoelectric materials via Cation exchange

description: Magnetoelectric materials – those that exhibit coupled ferromagnetic and ferroelectric behaviour – are predicted to have applications in a wide range of electronic devices.We have been using low-temperature cation-exchange reactions to substitute paramagnetic ions into hybrid-improper ferroelectric phases with the aim of inducing magnetoelectric coupling.Following this approach, we prepared MnSrNb2O7, FeSrNb2O7, CoSrNb2O7 and NiSrNb2O7.Magnetisation data indicate all 4 samples exhibit low-temperature phase transitions to ordered magnetic states which are accompanied by lattice parameter anomalies, suggestive of magnetoelectric coupling. We propose to collect high-resolution neutron powder diffraction data from these phases, as a function of temperature, through the magnetic and associated structural phase transitions to establish the nature of these features.
DOI: 10.5286/isis.e.rb2210355-1
title: Molecular interactions in the two-component system of the accessory gene regulator of Staphylococcus aureus

description: Two component systems are common response mechanism to extracellular stimuli in bacteria. Sensory element activation triggers ATP-dependent autophosphorylation and the recruitment of a downstream response mediating transcription factor. We propose to study the association between soluble catalytic domain from the accessory gene regulator in S. aureus, AgrC, and its downstream response partner, AgrA, responsible for modulation of virulence and collective bacterial behaviour. Deuterated components will be characterised in the presence of ATP or non-hydrolysable ATP analogues and the assembly of the complex will be monitored by SANS.
DOI: 10.3535/hzv-0fk-p94
title: Pectis prostrata Cav.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/n8y-nav-0k8
title: Eragrostis Wolf

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210306
title: Gaining Composition and Structural Insight via Neutron Reflectivity into Novel Light-Harvesting Functional Air-water Interfacial Layers

description: Conversion of carbon dioxide into chemicals using sunlight is an exciting approach to replace fossil-based materials as high energy density fuels and for chemicals production. We can report that self-assembling amphiphilic molecules can be used to build a photocatalytic Langmuir layer system at the air-water interface that is able to convert carbon dioxide into fuel using sunlight. In this experiment, we aim to extract important information about our system, particularly the composition and layer structure of the light-harvesting molecules, and the non-ionic surfactant that seems to be key to their function. An in-depth understanding of how the system works is key to drive improvements.
DOI: 10.5286/isis.e.rb2210306-1
title: Gaining Composition and Structural Insight via Neutron Reflectivity into Novel Light-Harvesting Functional Air-water Interfacial Layers

description: Conversion of carbon dioxide into chemicals using sunlight is an exciting approach to replace fossil-based materials as high energy density fuels and for chemicals production. We can report that self-assembling amphiphilic molecules can be used to build a photocatalytic Langmuir layer system at the air-water interface that is able to convert carbon dioxide into fuel using sunlight. In this experiment, we aim to extract important information about our system, particularly the composition and layer structure of the light-harvesting molecules, and the non-ionic surfactant that seems to be key to their function. An in-depth understanding of how the system works is key to drive improvements.
DOI: 10.5286/isis.e.rb2210336
title: Low-energy excitations near a field induced magnetic quantum-critical line in Nb1-yFe2+y

description: Our previous neutron scattering on ferromagnetic (FM) Nb1-yFe2+y revealed that chemical-composition (y) tuning at zero field leads to a FM quantum-critical point (QCP) masked by a spin-density-wave (SDW). The excitation spectrum at zero field is characterised by enhanced soft modes with an exotic dispersion that reflects the presence of emerging SDW order. In contrast, transverse-field tuning of a FM Nb1-yFe2+y sample has revealed an unmasked FM QCP with a more conventional excitation spectrum expected by spin-fluctuation theory. A plausible assumption is that the unmasked FM QCP belongs to a transverse-field induced quantum critical line, which a critical concentration (y_c) terminates in a quantum multi-critical point. We propose to explore the evolution of the low-energy excitation spectrum along this quantum critical line and ask for 6 days of beamtime.
DOI: 10.3535/4cx-9l9-tly
title: Pseudognaphalium luteoalbum (L.) Hilliard & B. L. Burtt

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/a83-ef3-gs8
title: Ipomoea aquatica Forssk.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210118
title: Structure of the hydration shells of the hydrophobes triptycene and anthracene

description: Interfaces between water and hydrophobic carbon species are found in diverse settings and environments. These include, for example, icy comets, which often appear black due to the carbon on their surfaces. The topic of hydrophobic hydration is also important for understanding protein folding processes and drug-receptor interactions. In our lab, we have established a vapour-deposition technique that allows co-depositing water and carbon species from the gas phase. Recent work at ISIS has led to the discovery of a new type of cage structure around an almost spherical molecule and strong preferred orientation effects of the water molecules. We now wish to extend these studies towards structurally more complicated molecules including paddlewheel-shaped and rod-like carbon species. This work will lead to a deeper understanding of how water molecules behave at complex carbon interfaces.
DOI: 10.5286/isis.e.rb2210118-1
title: Structure of the hydration shells of the hydrophobes triptycene and anthracene

description: Interfaces between water and hydrophobic carbon species are found in diverse settings and environments. These include, for example, icy comets, which often appear black due to the carbon on their surfaces. The topic of hydrophobic hydration is also important for understanding protein folding processes and drug-receptor interactions. In our lab, we have established a vapour-deposition technique that allows co-depositing water and carbon species from the gas phase. Recent work at ISIS has led to the discovery of a new type of cage structure around an almost spherical molecule and strong preferred orientation effects of the water molecules. We now wish to extend these studies towards structurally more complicated molecules including paddlewheel-shaped and rod-like carbon species. This work will lead to a deeper understanding of how water molecules behave at complex carbon interfaces.
DOI: 10.5286/isis.e.rb2210336-1
title: Low-energy excitations near a field induced magnetic quantum-critical line in Nb1-yFe2+y

description: Our previous neutron scattering on ferromagnetic (FM) Nb1-yFe2+y revealed that chemical-composition (y) tuning at zero field leads to a FM quantum-critical point (QCP) masked by a spin-density-wave (SDW). The excitation spectrum at zero field is characterised by enhanced soft modes with an exotic dispersion that reflects the presence of emerging SDW order. In contrast, transverse-field tuning of a FM Nb1-yFe2+y sample has revealed an unmasked FM QCP with a more conventional excitation spectrum expected by spin-fluctuation theory. A plausible assumption is that the unmasked FM QCP belongs to a transverse-field induced quantum critical line, which a critical concentration (y_c) terminates in a quantum multi-critical point. We propose to explore the evolution of the low-energy excitation spectrum along this quantum critical line and ask for 6 days of beamtime.
DOI: 10.3535/vxy-cr5-cv0
title: Randia aculeata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210072-2
title: Using neutron reflectometry to understand enhanced dynamic linewidth in a magnetic trilayer device

description: We have studied the magnetic damping of CoFe/Ag/CoFe multilayer films using Ferromagnetic Resonance (FMR) spectroscopy. There is an anomalous linewidth enhancement, which oscillates with a period of around 1 nm as the Ag thickness is increased. One interpretation is related to the interlayer coupling which may be ferromagnetic or antiferromagnetic due to the well-known Ruderman-Kittel-Kasuya-Yosida (RKKY) mechanism. Theoretical studies predict such a dynamic exchange coupling across a non-magnetic spacer to affect the resonance linewidth; it is feasible that the enhanced damping found in CoFe/Ag/CoFe relies on the RKKY coupling. The aim of this experiment is to determine the RKKY coupling strength from depth-resolved vector magnetometry using polarised neutron reflectometry with polarisation analysis, to clarify interpretation of the anomalous linewidth behaviour in CoFe/Ag/CoFe.
DOI: 10.5286/isis.e.rb2210074
title: Solvent contrast variation study of DNA nanocarriers based on Transportan peptides

description: Cell-penetrating peptides (CPPs) are short amino acid sequences that can transport molecules or DNA into cells. Delivery of nucleic acids (DNA or RNA) into cells is attracting huge attention as a potential means to treat genetic diseases. We seek to determine the nanostructure of complexes formed between DNA and oppositely charged peptides, based on Transportans, which are a class of CPPs derived from natural sequences of wasp venom proteins and human neuropeptides. We will perform small-angle neutron scattering, using unique capabilities of the Sans2d beamline at ISIS, to investigate the structure of model CPPs in complexes with DNA using contrast variation with mixtures of deuterated and normal water. The scattering length densities of DNA or peptides within complexes will be matched in different samples, to determine the ordering of the components.