cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2310007-3
title: The behaviour of LaMnO3 and LaMnO3+δ at high pressure

description: LaMnO3 is the parent compound of a family of doped manganates that exhibit a range of electronic phases and unusual properties with potential applications in new electronic devices. LaMnO3 crystallises in the orthorhombically distorted perovskite structure (Pbmn), in which every Mn3+ ion with high-spin configuration is surrounded by an octahedron of six oxygen ligands. Under ambient conditions, the Jahn-Teller (JT) instability of the singly occupied eg orbitals gives rise to cooperative distortions of the MnO6 octahedral units, resulting in orbital ordering and the insulating behaviour of LaMnO3. It is teh aim of this proposal to investigate as to how pressure alters the MnO6 octyahrdra distortion in LaMnO3 and the related material LaMNO3+δ in which no Jahn Teller instabilities are observed.
DOI: 10.3535/6mb-yvr-2yz
title: Poa versicolor Besser

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zz0-v2t-v26
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2000261-1
title: Proposal to investigate charge transport regimes in epoxy resin at low Externally Applied Electric Fields
DOI: 10.5286/isis.e.rb2220090
title: Structural Properties of Selenium-Substituted Bornite
DOI: 10.3535/evr-4k6-d0p
title: Campanula barbata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rb2-rjp-v9b
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2000261
title: Proposal to investigate charge transport regimes in epoxy resin at low Externally Applied Electric Fields
DOI: 10.5286/isis.e.rb2310420
title: Hydrosoluble ruthenium complexes for homogeneous catalytic processes: the role of water in the isomerization of allylic alcohols

description: The isomerization of allylic alcohols catalysed by metal complexes is an efficient procedure that allows obtaining carbonyl compounds with 100% atom economy. We have shown that the isomerization of linear allylic alcohols from propenol to octenol catalyzed by [RuCp(H2O-O)(PTA)2](CF3SO3) (1) (PTA = 1,3,5-triaza-7-phosphaadamantane) is largely dependent on the amount of water used in the reaction media, as well as on the length of the substrate. Particularly, the results demonstrated that the quantity of water needed to speed up the reaction is far more stoichiometric, indicating that water is not acting as a simple proton carrier. To determine the reasons for this behaviour, a combination of neutron scattering experiments were performed with SANDALS, together with ab initio molecular dynamics (AIMD) simulations. The results revealed that the water molecules in the first solvation sphere of 1 are involved in the expected hydrogen bonds with the nitrogen atoms of the PTA ligand and, interestingly, are also interacting with the lipophilic cyclopentediene. Analogue experiments on solutions of complex [RuCp(2-CH2=CH-CH2-OH)(PTA)2]+ (2), which is a catalytic intermediate of the isomerization of propenol, shed light on the reasons leading to the slowness of this reaction (TOF = 0.5 h-1 at 80ºC): intramolecular water bridges connecting the allylic alcohol to the PTA ligand, that stabilize the complex preventing its evolution along the catalytic cycle (Figure 1).
DOI: 10.5286/isis.e.rb2310420-1
title: Hydrosoluble ruthenium complexes for homogeneous catalytic processes: the role of water in the isomerization of allylic alcohols

description: The isomerization of allylic alcohols catalysed by metal complexes is an efficient procedure that allows obtaining carbonyl compounds with 100% atom economy. We have shown that the isomerization of linear allylic alcohols from propenol to octenol catalyzed by [RuCp(H2O-O)(PTA)2](CF3SO3) (1) (PTA = 1,3,5-triaza-7-phosphaadamantane) is largely dependent on the amount of water used in the reaction media, as well as on the length of the substrate. Particularly, the results demonstrated that the quantity of water needed to speed up the reaction is far more stoichiometric, indicating that water is not acting as a simple proton carrier. To determine the reasons for this behaviour, a combination of neutron scattering experiments were performed with SANDALS, together with ab initio molecular dynamics (AIMD) simulations. The results revealed that the water molecules in the first solvation sphere of 1 are involved in the expected hydrogen bonds with the nitrogen atoms of the PTA ligand and, interestingly, are also interacting with the lipophilic cyclopentediene. Analogue experiments on solutions of complex [RuCp(2-CH2=CH-CH2-OH)(PTA)2]+ (2), which is a catalytic intermediate of the isomerization of propenol, shed light on the reasons leading to the slowness of this reaction (TOF = 0.5 h-1 at 80ºC): intramolecular water bridges connecting the allylic alcohol to the PTA ligand, that stabilize the complex preventing its evolution along the catalytic cycle (Figure 1).
DOI: 10.3535/6xw-z12-lf6
title: Campanula barbata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2369002
title: Non-solvent Induced Phase Separation (NIPS) of cellulose: tuning the porosity of cellulose precursors for carbon molecular sieve membranes

description: Carbon molecular sieve membranes are a technology which enables gas separation, especially small polar molecules. The exact properties depend upon the pore structure. In this work we will use SANS to probe the pore structure of such membranes during the formation process. In this work we will mimic the actual fabrication process to better optimise this stage of membrane fabrication.
DOI: 10.5286/isis.e.rb2369002-1
title: Non-solvent Induced Phase Separation (NIPS) of cellulose: tuning the porosity of cellulose precursors for carbon molecular sieve membranes

description: Carbon molecular sieve membranes are a technology which enables gas separation, especially small polar molecules. The exact properties depend upon the pore structure. In this work we will use SANS to probe the pore structure of such membranes during the formation process. In this work we will mimic the actual fabrication process to better optimise this stage of membrane fabrication.
DOI: 10.5286/isis.e.rb2390073-1
title: Preliminary examination on crystal structure of cordierite type ceramics
DOI: 10.3535/p47-pmh-pfg
title: Campanula barbata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xfy-b63-4m3
title: Campanula barbata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220176
title: Local magnetism and dynamics in V1/3NbS2
DOI: 10.5286/isis.e.rb2220176-1
title: Local magnetism and dynamics in V1/3NbS2
DOI: 10.5286/isis.e.rb2390092-1
title: Identification of hydrogen in hydrated perovskite oxides in order to figure out the possible conduction mechanism
DOI: 10.3535/6zp-6hd-73n
title: Cladia aggregata (Sw.) Nyl.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/jdn-nyl-ltr
title: Campanula barbata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310280-2
title: Crystal electric field excitations in Weyl semimetal RAlSi (R=Nd, Pr and Ce)

description: The Weyl semimetals (WSMs) shown a topological electronic structure with linear band crossing in momentum space, have attracted tremendous interest in condensed matter physics. The new rare-earth based family of WSMs RAlSi(R=La, Ce, Pr, Nd…) promise to be ideal candidates for comprehensive studies of magnetic Weyl physics and related topological phase transitions. Probing the crystal electric field excitations is an important step in understanding magnetic properties in this system which provides opportunities in studying the interplay between magnetism and Weyl nodes.
DOI: 10.5286/isis.e.rb2320341
title: Chasing a new paradigm in frustrated lattice: a structural analogue investigation.

description: Our recent theoretical work suggests that the antiperovskite lattice with Ising spins can host a variety of exotic phases and be a promising new playground for frustrated magnets with emergent monopoles or fragmented spin ice states. Experimental realizations of such an idealized system are needed but the required topology using large Ising spins are difficult to achieve due to chemical constraints. Inspired by some recent work on Prussian blue and spin-ice structural analogues, where beautiful diffuse scattering has been seen to match theoretical predictions, we propose to study a 3D coordination network, CsCd(NO2)3, where the orientation of the (NO2)– molecule plays the role of an Ising variable in an octahedra geometry. Our single-crystal neutron diffraction measurements on this compound should shed light on possible experimental realisations of new types of frustrated lattices within the context of our theoretical framework.
DOI: 10.5286/isis.e.rb2320341-1
title: Chasing a new paradigm in frustrated lattice: a structural analogue investigation.

description: Our recent theoretical work suggests that the antiperovskite lattice with Ising spins can host a variety of exotic phases and be a promising new playground for frustrated magnets with emergent monopoles or fragmented spin ice states. Experimental realizations of such an idealized system are needed but the required topology using large Ising spins are difficult to achieve due to chemical constraints. Inspired by some recent work on Prussian blue and spin-ice structural analogues, where beautiful diffuse scattering has been seen to match theoretical predictions, we propose to study a 3D coordination network, CsCd(NO2)3, where the orientation of the (NO2)– molecule plays the role of an Ising variable in an octahedra geometry. Our single-crystal neutron diffraction measurements on this compound should shed light on possible experimental realisations of new types of frustrated lattices within the context of our theoretical framework.
DOI: 10.15468/dl.4h9t4q
title: Occurrence Download

description: A dataset containing 330 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rhodiola recticaulis Boriss."
 ]
}

 The dataset includes 330 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109239-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z7wpm8
title: Occurrence Download

description: A dataset containing 972 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Populus balsamifera L.",
 "Country is Norway",
 "HasCoordinate is true"
 ]
}

 The dataset includes 972 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109241-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/4lc-p00-kpm
title: Pannaria

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qdp-9v8-hc8
title: Pannaria

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220203
title: μSR Study of Sr3CoNb2O9: A Possible Quantum Spin-Liquid
DOI: 10.5286/isis.e.rb2220203-1
title: μSR Study of Sr3CoNb2O9: A Possible Quantum Spin-Liquid
DOI: 10.5286/isis.e.rb2390095-1
title: Discerning La/Ba, Zn/Ga, and oxygen vacancy distributions in Ba5La3ZnGa3O15 and their relationship to ionic conduction
DOI: 10.3535/jzk-z5s-zc0
title: Cladonia furcata (Huds.) Baumg.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2291009-1
title: High Resolution Powder Neutron Diffraction Study of Mixed Phase Sodium Layered Oxides
DOI: 10.5286/isis.e.rb2320204
title: Cavitation in 316H steel under constant strain creep conditions

description: In collaboration with EDF The Open University has an ongoing programme of studying creep cavitation in 316H steel of important relevance to lifetime studies of reactor heat exchangers. In this proposal three samples of 316H steel having undergone constant creep strain at different rates will be investigated using SANS2D to obtain a cavity size distribution. The sample strains have been measured using Digital Image Correlation at The Open University, anf further measurements of cavitation will be made using optical and scanning electron microscopy. In order to help understand the results from these plant steels a study of creep cavitation in the model system of pure copper is also being undertaken
DOI: 10.5286/isis.e.rb2320204-1
title: Cavitation in 316H steel under constant strain creep conditions

description: In collaboration with EDF The Open University has an ongoing programme of studying creep cavitation in 316H steel of important relevance to lifetime studies of reactor heat exchangers. In this proposal three samples of 316H steel having undergone constant creep strain at different rates will be investigated using SANS2D to obtain a cavity size distribution. The sample strains have been measured using Digital Image Correlation at The Open University, anf further measurements of cavitation will be made using optical and scanning electron microscopy. In order to help understand the results from these plant steels a study of creep cavitation in the model system of pure copper is also being undertaken
DOI: 10.3535/fw2-n8p-kzr
title: Baeomyces

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/njt-mkg-c10
title: Cladonia chlorophaea (Flörke ex Sommerf.) Spreng.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2319001
title: Alkene Oligomerisation over ZSM-5 Zeolite Catalysts: Complementary Infrared Microspectroscopy and Inelastic Neutron Scattering Spectroscopy
DOI: 10.5286/isis.e.rb2319001-1
title: Alkene Oligomerisation over ZSM-5 Zeolite Catalysts: Complementary Infrared Microspectroscopy and Inelastic Neutron Scattering Spectroscopy
DOI: 10.21233/n3f50s
title: Baker Lake Site 2 pollen surface sample dataset

description: Raw data for the Baker Lake Site 2 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: 10.3535/277-c33-ayf
title: Microstachys nana M.J.Silva & Esser

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qjt-qas-dfm
title: Campanula barbata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220556-2
title: An Assessment of a Novel Electron Beam Weld in Tungsten for Civil Fusion Applications
DOI: 10.5286/isis.e.rb2320299
title: Elucidating the Structure of Lithium Polysulfides by Complementary X-ray and Neutron Total Scattering Techniques

description: Lithium-sulfur (Li-S) batteries are an emerging class of rechargeable electrochemical cells with applications in speciality electric vehicles, including aviation, and grid-scale energy storage. The high theoretical specific capacity (1675 Ah kg–1), energy density (~2500 Wh kg–1) and the potentially low cost of Li-S batteries have led to significant scientific and industrial interest. During discharge, the sulfur (S8) in the cathode is reduced to soluble lithium polysulfide species (Li2Sn, where n = 2–8). These species are then progressively reduced via a poorly understood mechanism to insoluble lithium sulfide (Li2S). Being highly mobile and difficult to control, these Li2Sn species can participate in a process known as the polysulfide shuttle effect, during which they diffuse through the electrolyte towards the Li metal anode and react to form a solid-electrolyte interphase increasing the impedance of the cell, reducing the S and Li inventory. By investigating these solutions, we aim to better understand the structural and chemical influences that the electrolyte system has on the Li2Sn species. These insights will have fundamental importance and enable detailed in-situ/operando studies by providing key Li2Sn signatures that can be monitored during cycling.
DOI: 10.5286/isis.e.rb2320299-1
title: Elucidating the Structure of Lithium Polysulfides by Complementary X-ray and Neutron Total Scattering Techniques

description: Lithium-sulfur (Li-S) batteries are an emerging class of rechargeable electrochemical cells with applications in speciality electric vehicles, including aviation, and grid-scale energy storage. The high theoretical specific capacity (1675 Ah kg–1), energy density (~2500 Wh kg–1) and the potentially low cost of Li-S batteries have led to significant scientific and industrial interest. During discharge, the sulfur (S8) in the cathode is reduced to soluble lithium polysulfide species (Li2Sn, where n = 2–8). These species are then progressively reduced via a poorly understood mechanism to insoluble lithium sulfide (Li2S). Being highly mobile and difficult to control, these Li2Sn species can participate in a process known as the polysulfide shuttle effect, during which they diffuse through the electrolyte towards the Li metal anode and react to form a solid-electrolyte interphase increasing the impedance of the cell, reducing the S and Li inventory. By investigating these solutions, we aim to better understand the structural and chemical influences that the electrolyte system has on the Li2Sn species. These insights will have fundamental importance and enable detailed in-situ/operando studies by providing key Li2Sn signatures that can be monitored during cycling.
DOI: 10.3535/ckw-034-dzt
title: Arbusculohypopterygium arbuscula (Brid.) M. Stech, T. Pfeiff. & W. Frey

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/e5m-x07-vt3
title: Saxegothaea conspicua Lindl.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220028
title: Does hydrogen occupy a tetrahedral site in beta-PdH?
DOI: 10.5286/isis.e.rb2220028-1
title: Does hydrogen occupy a tetrahedral site in beta-PdH?
DOI: 10.5286/isis.e.rb2390097-1
title: Samples for NTC
DOI: 10.3535/cma-24n-m5f
title: Trisetum Pers.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220462
title: HOW WERE THEY BENT? THE ART OF DISTORTING A HALLSTATT C PERIOD IRON SWORD: A NEUTRON DIFFRACTION STUDY
DOI: 10.5286/isis.e.rb2220462-1
title: HOW WERE THEY BENT? THE ART OF DISTORTING A HALLSTATT C PERIOD IRON SWORD: A NEUTRON DIFFRACTION STUDY
DOI: 10.5286/isis.e.rb2390097
title: Samples for NTC
DOI: 10.3535/1re-vl5-lsb
title: Nothofagus dombeyi (Mirb.) Oerst.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/a49-lsl-42a
title: Corynabutilon vitifolium (Cav.) Kearney

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310316-2
title: Structure of Magnetosomes from Magnetospirillum gryphiswaldense

description: Aim of this proposal is to study the structure of magnetosomes, which are chains of iron oxide (Fe3O4) nanoparticles that we are able to extract and purify from Magnetospirillum gryphiswaldense bacteria. Magnetosomes are of significant interest as tools for delivery drugs to a targeted area because of their small size, ferromagnetic properties and presence of membrane proteins embedded in the lipid bilayer that covers the surface of the iron oxide core. Structural information regarding core and layer dimensions as well as layer composition and number of magnetosome units per chain will be obtained with contrast variation SANS experiments that we plan to perform on samples obtained by bacteria that have been grown under a wide range of controlled conditions.
DOI: 10.5286/isis.e.rb2310378
title: Interactions between membranes and nano-ions: Nanostructural insights from SANS

description: Nano-ions such as polyoxometalates (POMs), boron clusters and hydrophobic ions (Fig.2), are nanometric ionic molecules with unique architecture and super-chaotropic properties, that is, they can disrupt hydrogen bonding, penetrate hydrophobic cavities, and bind to non-ionic sites or molecules. This implies that they could potentially mediate effective structural disruption in cell membranes. However, little is known how the nano-ions would affect the mechanism of membrane fusion, fundamentally relevant to nanotoxicity and specifically to their conjectured use in personal care products and as future delivery vectors. Here, we propose a small-angle neutron scattering (SANS) study to examine the structural changes in liposomes mediated by nano-ions, as a function of lipid composition, type of nano-ions, concentrations, and temperature.
DOI: 10.5286/isis.e.rb2310378-1
title: Interactions between membranes and nano-ions: Nanostructural insights from SANS

description: Nano-ions such as polyoxometalates (POMs), boron clusters and hydrophobic ions (Fig.2), are nanometric ionic molecules with unique architecture and super-chaotropic properties, that is, they can disrupt hydrogen bonding, penetrate hydrophobic cavities, and bind to non-ionic sites or molecules. This implies that they could potentially mediate effective structural disruption in cell membranes. However, little is known how the nano-ions would affect the mechanism of membrane fusion, fundamentally relevant to nanotoxicity and specifically to their conjectured use in personal care products and as future delivery vectors. Here, we propose a small-angle neutron scattering (SANS) study to examine the structural changes in liposomes mediated by nano-ions, as a function of lipid composition, type of nano-ions, concentrations, and temperature.
DOI: 10.15468/dl.32xfzq
title: Occurrence Download

description: A dataset containing 41 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Populus balsamifera L.",
 "Country is Latvia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 41 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0109240-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/04g-gm4-zgs
title: Myrsine africana L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/0cb-h5e-n1n
title: Poa pratensis L.

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