cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2320022
title: Neutron reflection implication of novel serine-rich antimicrobial peptides killing bacteria

description: Alteration of antimicrobial peptides’ (AMPs) relative charge and hydrophobicity affects their self-association, self-assembly and subsequent interaction with bacterial membranes. Herein, we designed novel AMPs containing serine amino acids, to discover how substituting lysine residues for serine influences peptide association and membrane binding compared to a control peptide G(IIKK)3-NH₂ (G3), with proven antimicrobial potency [1]. AMP antimicrobial abilities are explored with a typical Gram-negative E. coli bacterial inner membrane mimic of POPC/POPG (7:3). Coarse-grained molecular dynamics (MD) simulations reveal peptides with higher serine content tend to form larger aggregates and bind to the membrane as oligomers, forming various intramembrane aggregates. Experimental data from dual polarisation interferometry (DPI) along with MD simulations have placed us in a solid position to undertake neutron reflection (NR) to unravel how these AMPs interact with a model membrane at molecular level.
DOI: 10.5286/isis.e.rb2320022-1
title: Neutron reflection implication of novel serine-rich antimicrobial peptides killing bacteria

description: Alteration of antimicrobial peptides’ (AMPs) relative charge and hydrophobicity affects their self-association, self-assembly and subsequent interaction with bacterial membranes. Herein, we designed novel AMPs containing serine amino acids, to discover how substituting lysine residues for serine influences peptide association and membrane binding compared to a control peptide G(IIKK)3-NH₂ (G3), with proven antimicrobial potency [1]. AMP antimicrobial abilities are explored with a typical Gram-negative E. coli bacterial inner membrane mimic of POPC/POPG (7:3). Coarse-grained molecular dynamics (MD) simulations reveal peptides with higher serine content tend to form larger aggregates and bind to the membrane as oligomers, forming various intramembrane aggregates. Experimental data from dual polarisation interferometry (DPI) along with MD simulations have placed us in a solid position to undertake neutron reflection (NR) to unravel how these AMPs interact with a model membrane at molecular level.
DOI: 10.5286/isis.e.rb2320252
title: The nature of spin correlations in the novel triangular lattice antiferromagnet ErTa7O19

description: Rare-earth (RE) based geometrically frustrated magnets represent a promising avenue in the search of enigmatic quantum spin liquids (QSLs). Our previous study has identified a novel family of RE heptatantalates RETa7O19, where in the Nd case strong Ising anisotropy on the triangular lattice leads to a QSL state. As the nature of the RE ions can strongly influence the magnetic anisotropy we initiated a study of isostructural ErTa7O19 with twice stronger magnetic interactions. Recent neutron diffraction measurements done on the WISH instrument revealed sizable magnetic diffuse scattering as a signature of short-range spin correlations. Here we propose a high-resolution inelastic neutron scattering study on the LET instrument to determine whether the spin correlations are static or dynamical.
DOI: 10.3535/ee3-g2h-53y
title: Spodiopogon pogonanthus (Boiss. & Balansa) Boiss.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220325
title: Investigation of superconductivity in thiospinel compound CuCo2S4 using muon spin relaxation and rotation
DOI: 10.5286/isis.e.rb2220325-1
title: Investigation of superconductivity in thiospinel compound CuCo2S4 using muon spin relaxation and rotation
DOI: 10.5286/isis.e.rb2310572-1
title: Probing the ground state Magnetic structure of tetragonal and cubic Mn2TiO4 single crystal

description: The compound Mn2TiO4 crystallizes in two different forms: tetragonal and cubic phases respectively. The cubic inverse spinel can be thought of as "Mn2+(Mn2+/Ti4+)O4 and exhibits a ferrimagnetic transition with compensation transition. The B site is partially occupied by non-magnetic Ti4+ and the magnetism is associated with an S = 5/2 network of Mn2+ ions distributed over half of the B sites and the A site. Our single crystal samples are characterised using powder and single crystal x-ray, magnetometry and heat capacity. Our tetragonal phase ferrimagnetic magnetisation transition is very clean revealing a single domain. We have large single crystals and SXD beam line will be used to determine their magnetic structure.
DOI: 10.3535/gqg-fnr-dq3
title: Delphinium peregrinum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/hnt-kkl-4eq
title: Liparis loeselii (L.) Rich.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310530
title: Probing influence of structure and temperature on H2 and D2 adsorption in trapdoor zeolites via neutron diffraction

description: Hydrogen and its heavier isotopes play essential roles in nuclear energy production. However, to obtain pure isotopes, conventional isotope separations rely on energy-intensive methods such as cryogenic distillation at temperatures ~20 K. To achieve separation under milder temperature conditions, physical adsorption using zeolites displaying a selective separation mechanism (so-called “trapdoor behaviour”) are favourable candidates. In these systems, deuterium (D2) can lower the energy barrier of the trapdoor cations, allowing D2 to move past the trapdoors into the internal pores of the zeolite, while other isotopes (such as protium, H2) are prevented from entering the internal cavities below a threshold trapdoor-opening temperature. Here we will investigate structural changes in two representative trapdoor zeolites (chabazite (CHA) and merlinoite (MER)) with different internal cavity structure, and cavity windows blocked by either Rb+ or Cs+ trapdoor cations. In-situ neutron diffraction on GEM is needed to detect structural breathing variations caused by the different interactions of these materials with H2 and D2 at room temperature and above the threshold gate opening temperature. These experiments will allow us to probe the different interactions of H2/D2 with these zeolite materials and will provide us with a better understanding of the potential of these materials for challenging and important isotope separations.
DOI: 10.5286/isis.e.rb2310530-1
title: Probing influence of structure and temperature on H2 and D2 adsorption in trapdoor zeolites via neutron diffraction

description: Hydrogen and its heavier isotopes play essential roles in nuclear energy production. However, to obtain pure isotopes, conventional isotope separations rely on energy-intensive methods such as cryogenic distillation at temperatures ~20 K. To achieve separation under milder temperature conditions, physical adsorption using zeolites displaying a selective separation mechanism (so-called “trapdoor behaviour”) are favourable candidates. In these systems, deuterium (D2) can lower the energy barrier of the trapdoor cations, allowing D2 to move past the trapdoors into the internal pores of the zeolite, while other isotopes (such as protium, H2) are prevented from entering the internal cavities below a threshold trapdoor-opening temperature. Here we will investigate structural changes in two representative trapdoor zeolites (chabazite (CHA) and merlinoite (MER)) with different internal cavity structure, and cavity windows blocked by either Rb+ or Cs+ trapdoor cations. In-situ neutron diffraction on GEM is needed to detect structural breathing variations caused by the different interactions of these materials with H2 and D2 at room temperature and above the threshold gate opening temperature. These experiments will allow us to probe the different interactions of H2/D2 with these zeolite materials and will provide us with a better understanding of the potential of these materials for challenging and important isotope separations.
DOI: 10.5286/isis.e.rb2310572
title: Probing the ground state Magnetic structure of tetragonal and cubic Mn2TiO4 single crystal

description: The compound Mn2TiO4 crystallizes in two different forms: tetragonal and cubic phases respectively. The cubic inverse spinel can be thought of as "Mn2+(Mn2+/Ti4+)O4 and exhibits a ferrimagnetic transition with compensation transition. The B site is partially occupied by non-magnetic Ti4+ and the magnetism is associated with an S = 5/2 network of Mn2+ ions distributed over half of the B sites and the A site. Our single crystal samples are characterised using powder and single crystal x-ray, magnetometry and heat capacity. Our tetragonal phase ferrimagnetic magnetisation transition is very clean revealing a single domain. We have large single crystals and SXD beam line will be used to determine their magnetic structure.
DOI: 10.15468/dl.u4vkg9
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bidens frondosa L.",
 "Country is Croatia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 32 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109246-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/b78-hzg-k09
title: Liparis loeselii (L.) Rich.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/c31-47j-1wx
title: Orchidaceae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2390155-1
title: Crystal structure of CeAgAl3 and LaAgAl3
DOI: 10.5286/isis.e.rb2390156-1
title: Crystal structure of Ce2Rh3Sn5 and La2Rh3Sn5
DOI: 10.3535/24n-zv5-aga
title: Delphinium peregrinum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310612-1
title: Investigations of the magnetic structure of the distorted S = 1/2 kagome antiferromagnets ACu3V2O7(OD)2Cl (A = K, Rb, ND4 )

description: Two-dimensional S=1/2 kagome antiferromanets (KAFMs) are some of the best candidate systems for studies of the novel ground states and exotic, often fractionalized, excitations that characterize quantum spin liquids (QSLs). Away from the isotropic kagome lattice, the ground states of the distorted systems are less well studied despite predictions they host unconventional magnetic order and topological magnetic excitations. Further understanding of these phases is hindered by the limited number of distorted kagome systems which display the highly 2-dimensional magnetic lattice populated by S=1/2 spins. We propose a low-temperature study on WISH of the distorted S=1/2 KAFM series, ACu3V2O7(OD)2Cl A = ND4+, K+, Rb+, to characterise their ordered magnetic ground states. Substitution on the A cation site alters the exchange environment of each material and provides a means to produce different ground state phases. Each material is structurally analogous, with distorted kagome layers of S=1/2 Cu2+ ions well separated by V2O7 units and interstitial ions. Bulk magnetometry data collected on the series hints at variations in their ordered ground states and shows differences in the strength of their antiferromagnetic mean fields. The detailed characterisation of these ordered ground states would help map the phase diagram of the distorted S= 1/2 KAFMs.
DOI: 10.5286/isis.e.rb2390079-1
title: Low temperature crystal structure of thallium cyanate Tl(OCN)
DOI: 10.5286/isis.e.rb2390158-1
title: Duplicate Of: Crystal structure of Y2Rh3Sn5
DOI: 10.3535/g5z-qky-gtd
title: Helleborus dumetorum subsp. atrorubens (Waldst. & Kit.) Merxm. & Podl.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/r3d-mk1-119
title: Leucanthemopsis pallida subsp. pallida

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310612
title: Investigations of the magnetic structure of the distorted S = 1/2 kagome antiferromagnets ACu3V2O7(OD)2Cl (A = K, Rb, ND4 )

description: Two-dimensional S=1/2 kagome antiferromanets (KAFMs) are some of the best candidate systems for studies of the novel ground states and exotic, often fractionalized, excitations that characterize quantum spin liquids (QSLs). Away from the isotropic kagome lattice, the ground states of the distorted systems are less well studied despite predictions they host unconventional magnetic order and topological magnetic excitations. Further understanding of these phases is hindered by the limited number of distorted kagome systems which display the highly 2-dimensional magnetic lattice populated by S=1/2 spins. We propose a low-temperature study on WISH of the distorted S=1/2 KAFM series, ACu3V2O7(OD)2Cl A = ND4+, K+, Rb+, to characterise their ordered magnetic ground states. Substitution on the A cation site alters the exchange environment of each material and provides a means to produce different ground state phases. Each material is structurally analogous, with distorted kagome layers of S=1/2 Cu2+ ions well separated by V2O7 units and interstitial ions. Bulk magnetometry data collected on the series hints at variations in their ordered ground states and shows differences in the strength of their antiferromagnetic mean fields. The detailed characterisation of these ordered ground states would help map the phase diagram of the distorted S= 1/2 KAFMs.
DOI: 10.5286/isis.e.rb2320153
title: Magnetic excitations of a new pressure-induced Kondo lattice superconductor

description: In unconventional superconductors such as heavy fermion and high-Tc superconductors, the superconductivity is believed to be mediated by spin fluctuations, rather than the electron-phonon pairing mechanism of conventional BCS theory. However, the microscopic mechanisms of spin-fluctuation mediated superconductivity are not yet determined, and in particular there is a lack of understanding as to which types of spin fluctuations are favourable for forming unconventional Cooper pairs. Here we propose to probe the low temperature magnetic excitations of single crystals of CeSb2 at ambient pressure using inelastic neutron scattering. CeSb2 is antiferromagnetic at ambient pressure, and was recently found to exhibit superconductivity under pressure upon the suppression of antiferromagnetism, with highly unusual behaviour of the upper critical field. We propose to map the spin-waves in the antiferromagnetic state, and paramagnons in the paramagnetic state, of CeSb2, so as to determine the underlying magnetic exchange interactions. Since these magnetic interactions give rise to both the ordered magnetic state at ambient pressure, and the unconventional, possibly spin-triplet, heavy fermion superconductivity under pressure, our study can provide important information about the characteristics of spin fluctuations giving rise to unconventional superconductivity.
DOI: 10.5286/isis.e.rb2320153-1
title: Magnetic excitations of a new pressure-induced Kondo lattice superconductor

description: In unconventional superconductors such as heavy fermion and high-Tc superconductors, the superconductivity is believed to be mediated by spin fluctuations, rather than the electron-phonon pairing mechanism of conventional BCS theory. However, the microscopic mechanisms of spin-fluctuation mediated superconductivity are not yet determined, and in particular there is a lack of understanding as to which types of spin fluctuations are favourable for forming unconventional Cooper pairs. Here we propose to probe the low temperature magnetic excitations of single crystals of CeSb2 at ambient pressure using inelastic neutron scattering. CeSb2 is antiferromagnetic at ambient pressure, and was recently found to exhibit superconductivity under pressure upon the suppression of antiferromagnetism, with highly unusual behaviour of the upper critical field. We propose to map the spin-waves in the antiferromagnetic state, and paramagnons in the paramagnetic state, of CeSb2, so as to determine the underlying magnetic exchange interactions. Since these magnetic interactions give rise to both the ordered magnetic state at ambient pressure, and the unconventional, possibly spin-triplet, heavy fermion superconductivity under pressure, our study can provide important information about the characteristics of spin fluctuations giving rise to unconventional superconductivity.
DOI: 10.3535/aq4-sz3-1ny
title: Orchis militaris L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/sc5-n1a-b0l
title: Leucanthemopsis pectinata (L.) G. López & C. E. Jarvis

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220567
title: Non invasive characterization through neutron imaging of Nuragic boat models
DOI: 10.5286/isis.e.rb2220567-1
title: Non invasive characterization through neutron imaging of Nuragic boat models
DOI: 10.5286/isis.e.rb2310272-1
title: Rattling Vibrations and Phonon Density of States in Low Thermal Conductivity Defect Pyrochlores

description: We have used chemical substitution of non-framework (A) cations to reduce the thermal conductivity of defect pyrochlores, to produce materials for use as thermal insulation in thermal batteries. The weakly bound A cations, located within a cavity formed by metal-centered octahedra, act as Einstein oscillators, undergoing localized vibrations, termed rattling modes. These scatter heat-carrying phonons and reduce thermal conductivity. That of mixed-phases K1-xCsxTaWO6 is determined by the balance between two effects. The lighter, more weakly-bound K+ is expected to show increased rattling vibrations within the cavity, decreasing the thermal conductivity of potassium-rich phases but the increased mass-fluctuation scattering of phonons, resulting from substitution of K+ by Cs+, also reduces the thermal conductivity. The balance of these two effects results in a minimum thermal conductivity at x = 0.25. Calculations of the radial distribution function of the two ions indicate greater delocalization of K+, consistent with increased rattling. Fitting the temperature dependence of atomic displacement parameters from X-ray diffraction data leads to estimates of 144 K and 84 K for the Einstein temperatures of K+ and Cs+ respectively. We wish to measure the rattling modes of K+ and Cs+ by inelastic neutron scattering and investigate the impact of changes in the K/Cs ratio on the rattling modes and phonon density of states of the two end-member and three mixed phases in this series.
DOI: 10.3535/d4r-g14-rbz
title: Orchis militaris L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/mk7-zql-ald
title: Helleborus multifidus Vis.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220396-3
title: Spin waves modes in the AFM and helicoidal phases of CuO
DOI: 10.5286/isis.e.rb2310232-2
title: Magnetic structure of 1D & 2D electrides by powder neutron diffraction

description: Materials in which electrons behave as anions are called electrides. Electrides can be likened to stoichiometric F-centre salts in which the electron concentration is high enough to allow them to interact with each other. As a result, these exotic materials exhibit physical properties represented by the metal-insulator transition. We propose to perform temperature-dependent PND experiments on a series of RE2C and RE5Si3 (RE = Y, Gd-Er) carbides and silicides, which have been successfully synthesised by arc-melting. Our aim is to validate the magnetic electride nature of our materials, and to study the presence/absence of defects and impurities such as adventitious O or H.
DOI: 10.5286/isis.e.rb2310272
title: Rattling Vibrations and Phonon Density of States in Low Thermal Conductivity Defect Pyrochlores

description: We have used chemical substitution of non-framework (A) cations to reduce the thermal conductivity of defect pyrochlores, to produce materials for use as thermal insulation in thermal batteries. The weakly bound A cations, located within a cavity formed by metal-centered octahedra, act as Einstein oscillators, undergoing localized vibrations, termed rattling modes. These scatter heat-carrying phonons and reduce thermal conductivity. That of mixed-phases K1-xCsxTaWO6 is determined by the balance between two effects. The lighter, more weakly-bound K+ is expected to show increased rattling vibrations within the cavity, decreasing the thermal conductivity of potassium-rich phases but the increased mass-fluctuation scattering of phonons, resulting from substitution of K+ by Cs+, also reduces the thermal conductivity. The balance of these two effects results in a minimum thermal conductivity at x = 0.25. Calculations of the radial distribution function of the two ions indicate greater delocalization of K+, consistent with increased rattling. Fitting the temperature dependence of atomic displacement parameters from X-ray diffraction data leads to estimates of 144 K and 84 K for the Einstein temperatures of K+ and Cs+ respectively. We wish to measure the rattling modes of K+ and Cs+ by inelastic neutron scattering and investigate the impact of changes in the K/Cs ratio on the rattling modes and phonon density of states of the two end-member and three mixed phases in this series.
DOI: 10.5286/isis.e.rb2220137
title: Spin-liquid ground state of the novel triangular lattice antiferromagnet ErTa7O19
DOI: 10.5286/isis.e.rb2220137-1
title: Spin-liquid ground state of the novel triangular lattice antiferromagnet ErTa7O19
DOI: 10.3535/z6j-t4n-was
title: Leucanthemopsis pectinata (L.) G. López & C. E. Jarvis

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2320115-1
title: Microstructure of poly-L-lysine (PLL) single chain nanoparticles: The role of the precursor conformation

description: Polypeptide single chain nanoparticles (SCNPs) have enormous potential in biomedical applications due to their biocompatibility and low immunogenicity. Among the homo-polypeptides, polylyisine has established applications on gene delivery that would benefit from the morphology provided by SCNPs. However, it is challenging to form SCNPs from a weak polyelectrolyte because its rigidity prevents chain collapse upon cross-linking. Thus, it is important to understand the role of the initial linear chain conformation on the resulting SCNP morphology. This proposal aims to use SANS to probe the effect of the poly-L-lysine (PLL) conformation through solvent conditions on the morphology of the resulting SCNPs.
DOI: 10.3535/473-4s9-70z
title: Orchis militaris L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/an6-zz3-b0n
title: Delphinium tenuissimum Sm.

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