cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2420115
title: On the bacterial outer membranes: the structure of capsular polysaccharides

description: Gram-negative bacteria are a diverse group of microorganisms characterized by their unique cell structure. The cell surface of Gram(-) bacteria is decorated by glycans such as lipopolysaccharides (LPS) and capsular polysaccharides (CPS). CPS is a high-molecular-weight biopolymer synthesized on a phosphatidylglycerol lipid anchor inside the bacteria and then pass across the membrane through pores. It is not known whether the lipid anchor is extracted from the inner membrane and integrated into the outer membrane or whether it remains in the inner membrane as the CPS crosses the cell envelope. However, if the lipid part is incorporated into the outer membrane of the Gram(-) bacterium, it causes a reduction in the thickness of the hydrophobic part of the membrane and an increase in flexibility, compared with systems with only the lipid part of the LPS. 
For these reasons, thanks to NR measurements, exploiting hydrogenated and dehumidified lipids, it would be possible to understand the structure and the position of CPS in the bacterial membrane and therefore to develop more efficient and specific antimicrobial systems.
DOI: 10.5286/isis.e.rb2420349
title: Local distortions and orbital disorder in ultra-high A-site variance perovskite Ce0.5Ba0.5MnO3

description: Perovskites are highly sensitive to their chemical compositions, and particularly the cation distribution on the A-site strongly affects their properties. The conventional control parameters involving charge doping and perovskite tolerance factor are often the primary ones considered for tuning structure and property. However, chemical disorder at the A-site, characterised by the variance associated with the average size (ionic radii) of the cation, also have a profound effect. Recently we have prepared via high pressure synthesis Ce(IV)0.5Ba(II)0.5Mn(III)O3, which has the highest reported A-site variance of any known perovskite. While the system appears cubic and highly crystalline (very low microstrain), broad diffuse features in the neutron powder diffraction data, and microscopy results, indicate the presence of order across ~ 5nm length scales, locally possessing Pbnm symmetry and hence potentially exhibiting c-type orbital ordering. The relationship between the “pseudo cubic state”, orbital-disorder transitions in La(III)Mn(III)O3, and the occurrences of colossal magnetoresistance on hole doping, have been widely discussed in the literature. Ce0.5Ba0.5MnO3 which exhibits such a pseudo cubic state from 2 K to room temperature thus provides an ideal prototype system for exploring this interplay between chemical and orbital disorder, which we propose to investigate via a total scattering experiment on POLARIS.
DOI: 10.5286/isis.e.rb2420349-1
title: Local distortions and orbital disorder in ultra-high A-site variance perovskite Ce0.5Ba0.5MnO3

description: Perovskites are highly sensitive to their chemical compositions, and particularly the cation distribution on the A-site strongly affects their properties. The conventional control parameters involving charge doping and perovskite tolerance factor are often the primary ones considered for tuning structure and property. However, chemical disorder at the A-site, characterised by the variance associated with the average size (ionic radii) of the cation, also have a profound effect. Recently we have prepared via high pressure synthesis Ce(IV)0.5Ba(II)0.5Mn(III)O3, which has the highest reported A-site variance of any known perovskite. While the system appears cubic and highly crystalline (very low microstrain), broad diffuse features in the neutron powder diffraction data, and microscopy results, indicate the presence of order across ~ 5nm length scales, locally possessing Pbnm symmetry and hence potentially exhibiting c-type orbital ordering. The relationship between the “pseudo cubic state”, orbital-disorder transitions in La(III)Mn(III)O3, and the occurrences of colossal magnetoresistance on hole doping, have been widely discussed in the literature. Ce0.5Ba0.5MnO3 which exhibits such a pseudo cubic state from 2 K to room temperature thus provides an ideal prototype system for exploring this interplay between chemical and orbital disorder, which we propose to investigate via a total scattering experiment on POLARIS.
DOI: 10.34816/ifao.archives.232865
title: SAQQARA_nb_1994_03342

description: Référence : nb_1994_03342<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/mcw-lvq-hpj
title: Coriaria ruscifolia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rnx-nvw-qll
title: Cenchrus clandestinus (Hochst. ex Chiov.) Morrone

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410423-2
title: Local structure of the layered oxysulfide Sr2MnO2Cu5.5S4

description: This is a proposal to probe the local structure in the layered oxysulfide, Sr2MnO2Cu5.5S4 in particular to probe the local Mn environment for possible Mn2+/Mn3+ charge order and to model the variable temperature behaviour of the copper sulfide layers which have Cu+ ions distributed over a range of sites. This compound is being probed as a potential thermoelectric material and a full understanding of the disorder in the sulfide layer and the influence of the structure of the manganese oxide layers on the electronic properties will be key to full understanding of the physical properties.
DOI: 10.5286/isis.e.rb2420032
title: The mechanism for Tse5 toxic behavior at model cellular membranes

description: Pseudomonas aeruginosa, a harmful bacterium, uses a system called T6SS to inject special proteins into nearby cells, giving it an advantage during infections. However, very little is known about the mechanism of action of these proteins. In our research, we will uncover how one of these proteins, called Tse5, operates. We hypothetise that Tse5 acts as a carrier of a pore-forming toxin, creating small channels in cell membranes that cause cell depolarisation and eventually cell death. The protein is composed by 3 sub-domains, one that acts as a shell and adsorbs to the surface of the membrane. Meanwhile, a hydrophobic sub-domain hidden inside of the shell moves and inserts into the membrane. In this process a pore or channel is proposed to form which causes its toxicity. We will use Neutron Reflection (NR) data to validate this hypothesis based on crystallography, electric measurements and MD simulations, since no other method can provide such detailed structural information. This experiment will enable how Tse5 adsorbs to the surface and whether the toxin gets inside of the core of the lipid membrane.
DOI: 10.5286/isis.e.rb2420032-1
title: The mechanism for Tse5 toxic behavior at model cellular membranes

description: Pseudomonas aeruginosa, a harmful bacterium, uses a system called T6SS to inject special proteins into nearby cells, giving it an advantage during infections. However, very little is known about the mechanism of action of these proteins. In our research, we will uncover how one of these proteins, called Tse5, operates. We hypothetise that Tse5 acts as a carrier of a pore-forming toxin, creating small channels in cell membranes that cause cell depolarisation and eventually cell death. The protein is composed by 3 sub-domains, one that acts as a shell and adsorbs to the surface of the membrane. Meanwhile, a hydrophobic sub-domain hidden inside of the shell moves and inserts into the membrane. In this process a pore or channel is proposed to form which causes its toxicity. We will use Neutron Reflection (NR) data to validate this hypothesis based on crystallography, electric measurements and MD simulations, since no other method can provide such detailed structural information. This experiment will enable how Tse5 adsorbs to the surface and whether the toxin gets inside of the core of the lipid membrane.
DOI: 10.3535/5s6-hvd-aaf
title: Achnatherum P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q5y-yqd-hty
title: Briza minor L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2320105
title: In-situ characterization of HyDUS bed ‘breathing’ process using combined neutron and x-ray tomography

description: The UK government aims to produce 10GW of low-carbon hydrogen into the energy mix by 2030. However, one of the challenges in using hydrogen as an energy carrier is its low volumetric energy density. Metal hydrides are a promising alternative for mass hydrogen storage, but challenges remain in reducing costs and improving efficiency. Actinide materials such as uranium and thorium are highly efficient chemical storage materials for hydrogen. This proposal is part of the HyDUS project, which aims to build an energy storage demonstrator that uses depleted uranium (DU) for mass hydrogen storage. The proposed experiment aims to evaluate the performance of a novel DU bed during hydrogen charging and discharging. The bed features a helical copper configuration to accommodate for the expanding material while acting as an efficient heat exchanger. The experiment will use a combination of neutron and x-ray tomography to gain insight into the bed dynamics and hydrogen distribution during loading and unloading. Neutron imaging is expected to be highly applicable due to its sensitivity to hydrogen distribution, and complementary high resolution x-ray characterization will be performed.
DOI: 10.5286/isis.e.rb2320105-1
title: In-situ characterization of HyDUS bed ‘breathing’ process using combined neutron and x-ray tomography

description: The UK government aims to produce 10GW of low-carbon hydrogen into the energy mix by 2030. However, one of the challenges in using hydrogen as an energy carrier is its low volumetric energy density. Metal hydrides are a promising alternative for mass hydrogen storage, but challenges remain in reducing costs and improving efficiency. Actinide materials such as uranium and thorium are highly efficient chemical storage materials for hydrogen. This proposal is part of the HyDUS project, which aims to build an energy storage demonstrator that uses depleted uranium (DU) for mass hydrogen storage. The proposed experiment aims to evaluate the performance of a novel DU bed during hydrogen charging and discharging. The bed features a helical copper configuration to accommodate for the expanding material while acting as an efficient heat exchanger. The experiment will use a combination of neutron and x-ray tomography to gain insight into the bed dynamics and hydrogen distribution during loading and unloading. Neutron imaging is expected to be highly applicable due to its sensitivity to hydrogen distribution, and complementary high resolution x-ray characterization will be performed.
DOI: 10.5286/isis.e.rb2490295-1
title: Testing continuous rotation on MERLIN - Quartz sample
DOI: 10.34816/ifao.archives.232866
title: SAQQARA_nb_1994_03343

description: Référence : nb_1994_03343<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/4h2-rxa-h0l
title: Schismus barbatus (L.) Thell.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310249-2
title: quantum Fisher information via temperature dependent inelastic neutron scattering measurement in single crystals of a spin ½ Heisenberg dimer C8D16Cu2O10

description: Entanglement is considered a resource in quantum information theory that enables quantum computation. We have calculated bipartite entanglement in a well-known spin ½ Heisenberg chain dimer system C8D16Cu2O10 using temperature dependent magnetic susceptibility measurements. The calculations show the presence of an entanglement temperature near the room temperature. Fisher information has recently been proposed as a measure for m-particle multipartite entanglement that can be obtained via inelastic neutron scattering measurements. Using temperature dependent inelastic neutron scattering measurements on large sized single crystals of C8D16Cu2O10, we wish to confirm the existence of multipartite entanglement in C8D16Cu2O10 till room temperature and provide a model experimental system that could be a potential quantum computer.
DOI: 10.5286/isis.e.rb2467102
title: Magnetic Structure of Cu3B2O6

description: We propose to investigate the magnetic structure of a two-dimensional quantum magnet Cu3B2O6 using time-of-flight Laue diffraction experiments on a single crystal sample. In our recent triple-axis experiments, we discovered the magnetic Bragg peak of this compound, but due to the low crystal symmetry and poor crystal quality, we were not able to determine the magnetic structure. The proposed single crystal diffraction study will help us understand the unusual magnetic ground state of this compound.
DOI: 10.5286/isis.e.rb2467102-1
title: Magnetic Structure of Cu3B2O6

description: We propose to investigate the magnetic structure of a two-dimensional quantum magnet Cu3B2O6 using time-of-flight Laue diffraction experiments on a single crystal sample. In our recent triple-axis experiments, we discovered the magnetic Bragg peak of this compound, but due to the low crystal symmetry and poor crystal quality, we were not able to determine the magnetic structure. The proposed single crystal diffraction study will help us understand the unusual magnetic ground state of this compound.
DOI: 10.21233/n30213
title: Sand pollen surface sample dataset

description: Raw data for the Sand 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/g3c-gvw-dr2
title: Briza maxima L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/w0g-eww-4vz
title: Nassella cernua (Stebbins & Love) Barkworth

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310249
title: quantum Fisher information via temperature dependent inelastic neutron scattering measurement in single crystals of a spin ½ Heisenberg dimer C8D16Cu2O10

description: Entanglement is considered a resource in quantum information theory that enables quantum computation. We have calculated bipartite entanglement in a well-known spin ½ Heisenberg chain dimer system C8D16Cu2O10 using temperature dependent magnetic susceptibility measurements. The calculations show the presence of an entanglement temperature near the room temperature. Fisher information has recently been proposed as a measure for m-particle multipartite entanglement that can be obtained via inelastic neutron scattering measurements. Using temperature dependent inelastic neutron scattering measurements on large sized single crystals of C8D16Cu2O10, we wish to confirm the existence of multipartite entanglement in C8D16Cu2O10 till room temperature and provide a model experimental system that could be a potential quantum computer.
DOI: 10.5286/isis.e.rb2420190-1
title: Accessing Cellulose Spatial Distribution in Surfactant Lamellar Phases and Shear-Induced Formation of Vesicles by SANS

description: This study aims to gain insight into the fundamental aspects of the interaction between liquid crystalline phases, composed of a surfactant lamellar phase, and particles, such as cellulose nanocrystals and cellulose nanofibrils, in the perspective of complex fluids, as well as for the practical purpose of using bio-based rheological modifiers in industrial formulations. In this context, Small Angle Neutron Scattering (SANS) is a unique technique able to localize the additives in the lamellar phase thanks to the possibility of using contrast matching. Specifically, we aim to use the excess scattering length density of the cellulose particle volume relative to the solvent and the lamellar phase of the surfactant. The obtained curves will be adjusted in order to obtain the electron density profiles, the Bragg peak's width and position, and the form factor of the surfactant bilayer and the cellulose additives, to derive structural parameters for both components. The cellulose particles can be organized in the aqueous space between the surfactant bilayers or outside the lamellar domains. The relative distribution of the celluloses in this system is crucial to relate its microstructure with rheological properties observed.
DOI: 10.3535/tmp-jfh-qf7
title: Allium stamineum Boiss.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/y97-gk0-r85
title: Viola cucullata Aiton

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410354-1
title: The magnetic crossover diagram of RbCuF3

description: KCuF3 is a famous quasi-one-dimensional S = ½ Heisenberg antiferromagnet, which displays many novel quantum magnetic properties including high-temperature dynamics, quantum critical scaling and signals of entanglement. In contrast, the other ACuF3 (A = Ag, Rb,NH4/ND4) have not been as deeply investigated due to the difficulties of procuring high quality single crystals. We have grown the first single crystal of RbCuF3 that is of a high enough quality for neutron spectroscopy. We propose to use MERLIN to investigate whether the dimensional crossover found in KCuF3 exists in RbCuF3 via the magnetic excitation spectrum. If the longitudinal mode is present in RbCuF3, we can identify not only whether RbCuF3 behaves like a 1D Luttinger liquid, but also the energy and temperature ranges over which the quantum critical point dominates.
DOI: 10.5286/isis.e.rb2410406-1
title: Co-Processing of Lignin and Petroleum Compounds on a Mesoporous Silica Catalyst-TOSCA

description: Co-processing is used to produce drop-in fuel from biomass-derived compounds without requiring major changes or modifications of existing reactors. In this context, oxygen removal through hydrodeoxygenation (HDO) is an important process for utilisation of lignin compounds. Whereas for petroleum hydrotreating process, most atoms to be removed are sulphur via hydrodesulphurisation (HDS). We have previously studied the interaction of lignin compounds on a molybdenum-clay based HDO catalyst and found that adsorption via H-bonding is essential to prevent carbon deposition that leads to catalyst deactivation. We now wish to extend the work using a co-processing scheme which involves both HDO and HDS. In this work, adsorption studies of lignin compound (guaiacol) and organic sulphur model compound (benzethiol) will be studied by inelastic neutron scattering (INS) to understand the interaction and possibility of catalytic mechanism of simultaneous C-O and C-S cleavage on the catalyst surface.
DOI: 10.5286/isis.e.rb2420190
title: Accessing Cellulose Spatial Distribution in Surfactant Lamellar Phases and Shear-Induced Formation of Vesicles by SANS

description: This study aims to gain insight into the fundamental aspects of the interaction between liquid crystalline phases, composed of a surfactant lamellar phase, and particles, such as cellulose nanocrystals and cellulose nanofibrils, in the perspective of complex fluids, as well as for the practical purpose of using bio-based rheological modifiers in industrial formulations. In this context, Small Angle Neutron Scattering (SANS) is a unique technique able to localize the additives in the lamellar phase thanks to the possibility of using contrast matching. Specifically, we aim to use the excess scattering length density of the cellulose particle volume relative to the solvent and the lamellar phase of the surfactant. The obtained curves will be adjusted in order to obtain the electron density profiles, the Bragg peak's width and position, and the form factor of the surfactant bilayer and the cellulose additives, to derive structural parameters for both components. The cellulose particles can be organized in the aqueous space between the surfactant bilayers or outside the lamellar domains. The relative distribution of the celluloses in this system is crucial to relate its microstructure with rheological properties observed.
DOI: 10.3535/acg-eea-wkc
title: Desmodium glabellum (Michx.) DC.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410406
title: Co-Processing of Lignin and Petroleum Compounds on a Mesoporous Silica Catalyst-TOSCA

description: Co-processing is used to produce drop-in fuel from biomass-derived compounds without requiring major changes or modifications of existing reactors. In this context, oxygen removal through hydrodeoxygenation (HDO) is an important process for utilisation of lignin compounds. Whereas for petroleum hydrotreating process, most atoms to be removed are sulphur via hydrodesulphurisation (HDS). We have previously studied the interaction of lignin compounds on a molybdenum-clay based HDO catalyst and found that adsorption via H-bonding is essential to prevent carbon deposition that leads to catalyst deactivation. We now wish to extend the work using a co-processing scheme which involves both HDO and HDS. In this work, adsorption studies of lignin compound (guaiacol) and organic sulphur model compound (benzethiol) will be studied by inelastic neutron scattering (INS) to understand the interaction and possibility of catalytic mechanism of simultaneous C-O and C-S cleavage on the catalyst surface.
DOI: 10.5286/isis.e.rb2420194-1
title: Single ion anisotropy of Kagome spin ice HoAgGe and DyAgGe by inelastic neutron scattering

description: Spin ices are exotic phases of matter characterized by frustrated spins obeying local “ice rules” that minimize the number of spatially isolated magnetic monopoles, in analogy with the electric dipoles in water ice. HoAgGe, as one example of the ReAgGe system, attracted much attention as the first discovery of Kagome Spin Ice in the intermetallic system. Alternating clockwise and counter-clockwise order was founded at base temperature. The behavior of Kagome Spin Ice is strongly influenced by the single-ion anisotropy properties, which are determined by the crystal electric field (CEF) ground state. We propose utilizing the MARI instrument to investigate the crystal field excitations of HoAgGe and DyAgGe, utilizing 3g non-aligned single crystals samples (in powder form), which will allow to fit the observed CEF excitations using the Mantid CEF program. We estimate 3 days of beam time to complete the proposed measurements on three samples.
DOI: 10.5286/isis.e.rb2490194-1
title: Measuring a phonon background for a diamagnetic analogue of quantum magnetic zinc vanadate
DOI: 10.3535/3be-yt1-e53
title: Pimpinella corymbosa Boiss.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/jly-wxq-w78
title: Biscutella didyma L.

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