cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2210009-2
title: Neutron Diffraction Studies of Metal-Organic Frameworks for Ammonia Adsorption

description: Porous metal-organic frameworks (MOFs) have gained considerable attention due to their potential in many applications, including gas separation and storage. There is particular interest on ammonia adsorption owing to the high volumetric and gravimetric hydrogen energy density of ammonia. We seek to develop MOF materials with exceptional, reversible ammonia capacity and request 4 days on WISH to study the preferred binding sites and orientation of adsorbed guest ND3 molecules. This proposed study will investigate the precise locations of ND3 molecules within a series of Cu(II)-based MOFs, namely MFM-100, MFM-101 and MFM-102. These MOFs exhibit exceptionally high capacity for ammonia at ambient conditions with repeatable cycles, representing state-of-the-art materials in the field. The high resolution, low background and large d-spacing capabilities of WISH will enable structural insight.
DOI: 10.5286/isis.e.rb2210113-1
title: Interactions between biocidal surfactants and bacterial membrane mimics: a NR study at the air-water interface

description: Quaternary ammonium compounds (QACs) have high inhibitory and bactericidal activity against pathogenic microbes and their toxicity has been found to depend upon their structure. However, no simple correlation has been reported. QAC surfactants are thought to interact with cell membranes through association of the positively charged quaternary nitrogen with the polar headgroups of some phospholipids. The hydrophobic tails of the surfactants subsequently interact with the hydrophobic region of the lipid bilayer. Insertion into the membrane can affect the structure and physical properties of the membrane, such as curvature, surface charge and lateral pressure, undermining the functioning of membrane proteins. The aim of this work is to determine how membrane structure changes with QAC biocide binding.
DOI: 10.15468/dl.tnyj9t
title: Occurrence Download

description: A dataset containing 222 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Prorocentrum cordatum (Ostenf.) J.D.Dodge",
 "Country is Latvia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 222 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109176-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/c7t-a2w-mv7
title: Hedyosmum nutans Sw.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/m6z-5pe-cws
title: Miconia umbellata (Mill.) Judd & Ionta

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2010186-1
title: Structural determination of organogelated gases as a function of temperature using SANS

description: Low Molecular Weight Organogelators (LMWOs) are small molecules which self-assemble in a solvent (oil) matrix to form supramolecular structures, yielding a gel. This has led to envisaged use in oil-spill clean-up/remediation. LMWOs self-assemble using intermolecular forces such as hydrogen bonding and van der Waals interactions, and to be successfully depolyed in oil, they either have to be dissolved in a carrier solvent or heated.This work seeks to characterise a new class of organogels; namely those with a liquefied gas solvent matrix. Using a new approach developed in the Bear group, we have overcome the need for a carrier solvent or heating, and have successfully gelled both liquefied propand and butane gas. This experiment will be the first meaningful data on this new class of material, and will inform further developments and give valuable insight into how such materials form.
DOI: 10.5286/isis.e.rb2210298
title: Combined SANS, UV-visible and fluorescence to resolve assembly mechanisms in native silk

description: Due to the chemical and structural complexities inherent to biological processes, the simultaneous combination of experimental techniques is necessary to gain reliable information about the mechanism and molecular basis for fibril/fibre assembly. A specific example is the role of reactive intermediates during the assembly of protein superstructures, such as in gelation, crystallisation, and fibrillation. Therefore, our aim, using the promising NUrF (Neutron small-angle scattering – UV-visible - Fluorescence) platform at Larmor, is to uniquely extract the rate laws and resolve the intermediates (chemical and structural) involved in the formation of silk protein fibrils. This detailed and comprehensive characterization will allow for future rational design of assembly, with the final aim to mimic the extraordinary mechanical properties of silk in biomaterials.
DOI: 10.5286/isis.e.rb2210298-1
title: Combined SANS, UV-visible and fluorescence to resolve assembly mechanisms in native silk

description: Due to the chemical and structural complexities inherent to biological processes, the simultaneous combination of experimental techniques is necessary to gain reliable information about the mechanism and molecular basis for fibril/fibre assembly. A specific example is the role of reactive intermediates during the assembly of protein superstructures, such as in gelation, crystallisation, and fibrillation. Therefore, our aim, using the promising NUrF (Neutron small-angle scattering – UV-visible - Fluorescence) platform at Larmor, is to uniquely extract the rate laws and resolve the intermediates (chemical and structural) involved in the formation of silk protein fibrils. This detailed and comprehensive characterization will allow for future rational design of assembly, with the final aim to mimic the extraordinary mechanical properties of silk in biomaterials.
DOI: 10.3535/3ed-bxm-fsk
title: Pectis elongata Kunth

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2010188
title: Conformational analysis of membrane proteins in magnetically oriented bicelles

description: Membrane proteins are notoriously refractive to structural and conformational characterisation. We propose the development of a SANS-based approach for conformational analysis of membrane proteins, in which we study a membrane protein, bacteriorhodopsin, embedded within magnetically oriented membrane-mimicking bicellar systems. We propose to produce perdeuterated recombinant bacteriorhodopsin within an E. coli host and reconstitute the purified protein into protonated bicellar systems of DMPC and DHPC. In the presence of lanthanide ions, such proteobicelles will be aligned with bilayer normal along an external magnetic field. We aim to validate the approach and obtain the characteristic dimensions of a typical 7TMD bundle using SANS on ZOOM.
DOI: 10.5286/isis.e.rb2010188-1
title: Conformational analysis of membrane proteins in magnetically oriented bicelles

description: Membrane proteins are notoriously refractive to structural and conformational characterisation. We propose the development of a SANS-based approach for conformational analysis of membrane proteins, in which we study a membrane protein, bacteriorhodopsin, embedded within magnetically oriented membrane-mimicking bicellar systems. We propose to produce perdeuterated recombinant bacteriorhodopsin within an E. coli host and reconstitute the purified protein into protonated bicellar systems of DMPC and DHPC. In the presence of lanthanide ions, such proteobicelles will be aligned with bilayer normal along an external magnetic field. We aim to validate the approach and obtain the characteristic dimensions of a typical 7TMD bundle using SANS on ZOOM.
DOI: 10.5286/isis.e.rb2210369
title: Competitive adsorption of glycerol monooleate and oleic acid at the iron oxide-dodecane interface

description: Reducing friction between moving components in engines minimises the fuel consumption and the resulting emissions of gasoline vehicles. The lubrication of sliding surfaces can be improved by the inclusion of organic friction modifier (OFM) additives in engine oils, which adsorb at the engine surfaces and form films that reduce friction. However, their behaviour in the presence of other lubricant additives is poorly understood. In this experiment, the structure of co-adsorbed films of oleic acid and glycerol monooleate at the iron oxide-dodecane interface will be investigated using neutron reflectometry. We will characterise the interfacial composition of the OFMs at the interface as a function of the order of introduction to the interface, oleic acid concentration and temperature.
DOI: 10.3535/fkl-9te-wg4
title: Phoradendron Nutt.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zsk-rhn-g3l
title: Euphorbia thymifolia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210171
title: Magnetic excitations as a function of field in the topological f-electron magnet CeAgBi2

description: Recently, the first f-electron skyrmions were reported to emerge in a row of Gd-based bulk materials including Gd2PdSi3. In contrast to the well known skyrmion materials like MnSi, these f-electron skyrmions do not require inversion symmetry breaking. Yet, an account of the underlying spin-spin interactions that instead lead to skyrmion lattice order remains elusive. Neutron spectroscopy, a technique that typically qualifies for the study of the microscopic interactions, is prevented in these materials due to the large neutron absorption of Gd. We identified by means of neutron diffraction the tetragonal heavy-fermion magnet CeAgBi2 as another centrosymmetric f-electron material that hosts skyrmion-lattice order. As a cerium-based compound, CeAgBi2 is ideally suited for neutron spectroscopy measurements, which we here propose to perform at LET.
DOI: 10.5286/isis.e.rb2210369-1
title: Competitive adsorption of glycerol monooleate and oleic acid at the iron oxide-dodecane interface

description: Reducing friction between moving components in engines minimises the fuel consumption and the resulting emissions of gasoline vehicles. The lubrication of sliding surfaces can be improved by the inclusion of organic friction modifier (OFM) additives in engine oils, which adsorb at the engine surfaces and form films that reduce friction. However, their behaviour in the presence of other lubricant additives is poorly understood. In this experiment, the structure of co-adsorbed films of oleic acid and glycerol monooleate at the iron oxide-dodecane interface will be investigated using neutron reflectometry. We will characterise the interfacial composition of the OFMs at the interface as a function of the order of introduction to the interface, oleic acid concentration and temperature.
DOI: 10.3535/08c-42l-rle
title: Citharexylum spinosum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ekq-5jr-fta
title: Scleria lithosperma (L.) Sw.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210121
title: Investigation of Shear-Dependent Conformational Changes of Water-Doped Organic Friction Modifier Films at the Iron Oxide/Oil Interface

description: Lubrication ensures the reliable operation of combustion engines whilst also offering a reduction in emissions and fuel consumption. Organic friction modifiers (OFMs) are a common class of friction-reducing additives included in engine lubricants and are known to adsorb at metal surfaces. However, the exact mechanism by which they operate has yet to be defined. To understand how these additives function, a novel tribometer rig has been developed. This enables neutron reflectivity experiments to be carried out at elevated temperatures and pressures, whilst the surface is sheared. In this set of experiments, we will measure the thickness of the film formed by Ethomeen 18/12 molecules on iron oxide surfaces as a function of shear rate and water doping.
DOI: 10.5286/isis.e.rb2210121-1
title: Investigation of Shear-Dependent Conformational Changes of Water-Doped Organic Friction Modifier Films at the Iron Oxide/Oil Interface

description: Lubrication ensures the reliable operation of combustion engines whilst also offering a reduction in emissions and fuel consumption. Organic friction modifiers (OFMs) are a common class of friction-reducing additives included in engine lubricants and are known to adsorb at metal surfaces. However, the exact mechanism by which they operate has yet to be defined. To understand how these additives function, a novel tribometer rig has been developed. This enables neutron reflectivity experiments to be carried out at elevated temperatures and pressures, whilst the surface is sheared. In this set of experiments, we will measure the thickness of the film formed by Ethomeen 18/12 molecules on iron oxide surfaces as a function of shear rate and water doping.
DOI: 10.5286/isis.e.rb2210171-1
title: Magnetic excitations as a function of field in the topological f-electron magnet CeAgBi2

description: Recently, the first f-electron skyrmions were reported to emerge in a row of Gd-based bulk materials including Gd2PdSi3. In contrast to the well known skyrmion materials like MnSi, these f-electron skyrmions do not require inversion symmetry breaking. Yet, an account of the underlying spin-spin interactions that instead lead to skyrmion lattice order remains elusive. Neutron spectroscopy, a technique that typically qualifies for the study of the microscopic interactions, is prevented in these materials due to the large neutron absorption of Gd. We identified by means of neutron diffraction the tetragonal heavy-fermion magnet CeAgBi2 as another centrosymmetric f-electron material that hosts skyrmion-lattice order. As a cerium-based compound, CeAgBi2 is ideally suited for neutron spectroscopy measurements, which we here propose to perform at LET.
DOI: 10.5286/isis.e.rb2210340
title: Spin Dynamics in S = 1\20442 Frustrated Spin Dimer Compound K2Co2(SeO3)3

description: The quantum spin liquid (QSL) state, which has no conventional symmetry-breaking order parameter, can emerge in insulators containing localized spin degrees of freedom. A hallmark of a QSL state is fractionalized spin excitations that can be revealed by a continuum of inelastic neutron scattering. Recently, triangular lattices of 3d7 Co2+ ions and dimers were reported in K2Co(SeO3)2 and K2Co2(SeO3)3, respectively. Neither compound orders magnetically down to 0.3 K. A comparative with inelastic neutron scattering could provide unique insights into the possibility of QSL physics on the triangular lattice for Co2+ ions and dimers respectively. We propose to perform an inelastic neutron scattering experiment on LET to determine the nature of the low-temperature magnetic excitations in K2Co2(SeO3)3 in its distinct phases that can be accessed through the application of a magnetic field.
DOI: 10.3535/8gn-31z-9es
title: Lithachne pauciflora (Sw.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/na3-34m-8ff
title: Platygyna leonis Alain

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210213
title: Magnetic order in a new hyperhoneycomb antiferromagnet

description: This proposal is to measure the magnetic diffraction in powder and single crystals of a novel hyperhoneycomb lattice antiferromagnet that we have recently succeeded in synthesizing for the first time. Here spin-orbit coupled Pr4+ ions interact on a three-dimensional hyperhoneycomb lattice with three-coordination as the planar honeycomb, but bond rotations make it a fully three-dimensional network. This is theoretically proposed to realize long-sought antiferromagnetic Kitaev interactions, expected to stabilize an exotic quantum spin liquid region for high applied magnetic fields, never explored experimentally before. Susceptibility and heat capacity provide evidence for magnetic long-range order at low temperatures and here we propose to use WISH to measure the magnetic diffraction to solve the ground state magnetic structure, required before exploring the magnetic-field behaviour.
DOI: 10.5286/isis.e.rb2210213-1
title: Magnetic order in a new hyperhoneycomb antiferromagnet

description: This proposal is to measure the magnetic diffraction in powder and single crystals of a novel hyperhoneycomb lattice antiferromagnet that we have recently succeeded in synthesizing for the first time. Here spin-orbit coupled Pr4+ ions interact on a three-dimensional hyperhoneycomb lattice with three-coordination as the planar honeycomb, but bond rotations make it a fully three-dimensional network. This is theoretically proposed to realize long-sought antiferromagnetic Kitaev interactions, expected to stabilize an exotic quantum spin liquid region for high applied magnetic fields, never explored experimentally before. Susceptibility and heat capacity provide evidence for magnetic long-range order at low temperatures and here we propose to use WISH to measure the magnetic diffraction to solve the ground state magnetic structure, required before exploring the magnetic-field behaviour.
DOI: 10.5286/isis.e.rb2210340-1
title: Spin Dynamics in S = 1\20442 Frustrated Spin Dimer Compound K2Co2(SeO3)3

description: The quantum spin liquid (QSL) state, which has no conventional symmetry-breaking order parameter, can emerge in insulators containing localized spin degrees of freedom. A hallmark of a QSL state is fractionalized spin excitations that can be revealed by a continuum of inelastic neutron scattering. Recently, triangular lattices of 3d7 Co2+ ions and dimers were reported in K2Co(SeO3)2 and K2Co2(SeO3)3, respectively. Neither compound orders magnetically down to 0.3 K. A comparative with inelastic neutron scattering could provide unique insights into the possibility of QSL physics on the triangular lattice for Co2+ ions and dimers respectively. We propose to perform an inelastic neutron scattering experiment on LET to determine the nature of the low-temperature magnetic excitations in K2Co2(SeO3)3 in its distinct phases that can be accessed through the application of a magnetic field.
DOI: 10.3535/e55-dzr-1bn
title: Citharexylum B.Juss.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/svx-m8r-gq2
title: Pharus latifolius L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2200005
title: Alternating single-ion anisotropy and weak ferromagnetism in a spin-1 antiferromagnet

description: Molecular building blocks provide unique structural degrees of freedom and enable the creation of quantum magnets that are hard to realise in entirely inorganic materials. We propose to measure the low-temperature magnetic structure of a material in which S = 1 ions are linked by non-linear molecular bridges. Symmetry analysis raises the intriguing possibility of a ground-state canted phase in which the observed weak ferromagnetism arises not from the Dzyaloshinskii-Moriya interaction, as occurs in the vast majority of cases, but instead from a novel, alternating single-ion anisotropy caused by the crystal structure of interlocking chiral chains. Observation of this state would highlight a new type of coupling between external magnetic field and a quantum antiferromagnetic ground state and further demonstrate that molecule-based magnets can support unique structure-property connections.
DOI: 10.5286/isis.e.rb2200005-1
title: Alternating single-ion anisotropy and weak ferromagnetism in a spin-1 antiferromagnet

description: Molecular building blocks provide unique structural degrees of freedom and enable the creation of quantum magnets that are hard to realise in entirely inorganic materials. We propose to measure the low-temperature magnetic structure of a material in which S = 1 ions are linked by non-linear molecular bridges. Symmetry analysis raises the intriguing possibility of a ground-state canted phase in which the observed weak ferromagnetism arises not from the Dzyaloshinskii-Moriya interaction, as occurs in the vast majority of cases, but instead from a novel, alternating single-ion anisotropy caused by the crystal structure of interlocking chiral chains. Observation of this state would highlight a new type of coupling between external magnetic field and a quantum antiferromagnetic ground state and further demonstrate that molecule-based magnets can support unique structure-property connections.
DOI: 10.3535/86s-4q7-dxd
title: Guarea guidonia (L.) Sleumer

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/asw-s76-1fh
title: Croton viminalis Griseb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210071
title: Total Neutron Scattering Measurements of Supercritical CO2 Injection in Limestones: Monitoring the Enhanced Oil Recovery with Additives

description: Carbon dioxide is widely used in Enhanced Oil Recovery (EOR). CO2-EOR can play an important role in the reduction of the global emissions of greenhouse gases because CO2 either remains sequestered underground in geologic formations or is recaptured and reinjected in a subsequent EOR project. Recently we monitored the CO2-EOR process at the nanoscale by injection of supercritical CO2 into a limestone sample loaded with decane. The neutron profiles showed directly the decane recovery and unique information was also obtained about the structural properties of confined CO2 and about the pore accessibility to CO2. We are now proposing to evaluate the additive performance during the recovery process. The phase behavior and the molecular structure of the confined CO2 mixture will be mapped during the evolution of the process and will be related to the potentiality for enhanced oil recovery.
DOI: 10.5286/isis.e.rb2210071-1
title: Total Neutron Scattering Measurements of Supercritical CO2 Injection in Limestones: Monitoring the Enhanced Oil Recovery with Additives

description: Carbon dioxide is widely used in Enhanced Oil Recovery (EOR). CO2-EOR can play an important role in the reduction of the global emissions of greenhouse gases because CO2 either remains sequestered underground in geologic formations or is recaptured and reinjected in a subsequent EOR project. Recently we monitored the CO2-EOR process at the nanoscale by injection of supercritical CO2 into a limestone sample loaded with decane. The neutron profiles showed directly the decane recovery and unique information was also obtained about the structural properties of confined CO2 and about the pore accessibility to CO2. We are now proposing to evaluate the additive performance during the recovery process. The phase behavior and the molecular structure of the confined CO2 mixture will be mapped during the evolution of the process and will be related to the potentiality for enhanced oil recovery.