cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2210074-1
title: Solvent contrast variation study of DNA nanocarriers based on Transportan peptides

description: Cell-penetrating peptides (CPPs) are short amino acid sequences that can transport molecules or DNA into cells. Delivery of nucleic acids (DNA or RNA) into cells is attracting huge attention as a potential means to treat genetic diseases. We seek to determine the nanostructure of complexes formed between DNA and oppositely charged peptides, based on Transportans, which are a class of CPPs derived from natural sequences of wasp venom proteins and human neuropeptides. We will perform small-angle neutron scattering, using unique capabilities of the Sans2d beamline at ISIS, to investigate the structure of model CPPs in complexes with DNA using contrast variation with mixtures of deuterated and normal water. The scattering length densities of DNA or peptides within complexes will be matched in different samples, to determine the ordering of the components.
DOI: 10.3535/azl-xyr-929
title: Sida glomerata Cav.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/h2q-cqh-s4k
title: Solenandra myrtifolia (Griseb.) Borhidi

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210162
title: Unravelling LNP endosomal escape

description: LNP are versatile drug and gene delivery particles. Examples of successful LNP formulation are the Comirnaty and mRNA-1273 Covid‑19 vaccines. Even though these are successful, cellular internalisation remains to be the man limiting factor on their therapeutic efficiency forcing high concentration doses with unwanted side effects. In-depth investigations using endosomal membrane mimics are limited due to the constrains of these systems. To meet this need, we developed an assay that monitors single LNP binding events to a supported lipid bilayer (SLB) designed to mimic the endosomal membrane. The SLB is formed on top of a nanoporous substrate that creates edges and compartments that facilitate molecular incorporation beneath the SLB. Neutron reflection will be used to demonstrate that the cationic lipid in LNP fuse with the membrane and that the cargo is delivered beneath the membrane.
DOI: 10.5286/isis.e.rb2210162-1
title: Unravelling LNP endosomal escape

description: LNP are versatile drug and gene delivery particles. Examples of successful LNP formulation are the Comirnaty and mRNA-1273 Covid‑19 vaccines. Even though these are successful, cellular internalisation remains to be the man limiting factor on their therapeutic efficiency forcing high concentration doses with unwanted side effects. In-depth investigations using endosomal membrane mimics are limited due to the constrains of these systems. To meet this need, we developed an assay that monitors single LNP binding events to a supported lipid bilayer (SLB) designed to mimic the endosomal membrane. The SLB is formed on top of a nanoporous substrate that creates edges and compartments that facilitate molecular incorporation beneath the SLB. Neutron reflection will be used to demonstrate that the cationic lipid in LNP fuse with the membrane and that the cargo is delivered beneath the membrane.
DOI: 10.5286/isis.e.rb2210249
title: Structure of Betaine-Glycerol Deep Eutectic Solvents with Iron Ions

description: Deep euetctic solvents (DES) are an emerging group of hydrogen bonding solvents, which have garnered interest due to their greener and highly tuneable nature. Most studies have focused on halogen containing DES, and the halide ion has been identified as a significant contributor to both the solvent structure and solvation processes. But these DES can be unsuitable for applications such as catalysis due to catalyst poisoning, and here we aim to investigate the processes behind the solvation of iron nitrate in the halogen free DES betaine:glycerol (molar ratio of 1:3). We aim to compare this to the neat DES structure previously studied by us. Through in situ measurements we will also investigate the structure and processes during iron oxide nanoparticle formation, to form a comprehensive image of the system together with the in situ EXAFS measurements we have collected for this system.
DOI: 10.3535/4js-l60-px5
title: Euphorbia hyssopifolia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/z3p-5b2-p70
title: Mitracarpus Zucc.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210103
title: Strain-induced antiferromagnetic transition in CaMnO3 Thin Films

description: Bulk CaMnO3 (CMO) is a canted G-type antiferromagnet. Theoretical calculations reveal a strain-induced transition to A-type antiferromagnetic ordering when grown in thin-film on SrTiO3 (STO) or LaAlO3 (LAO) substrates leading to a net uncompensated interfacial moment. HAADF-HRSTEM measurements reveal a sharp strained interfacial region, while magnetometry reveals a large average saturation magnetization which decreases with film thickness. Polarized neutron reflectometry will allow us to measure the depth-dependent saturation magnetization in thin CMO films to attribute the observed magnetism to strain at the film-substrate interface. We will compare samples grown on different substrates (STO vs. LAO) and of different thicknesses (3 nm vs. 30 nm) to verify the effects of strain and film relaxation.
DOI: 10.5286/isis.e.rb2210103-1
title: Strain-induced antiferromagnetic transition in CaMnO3 Thin Films

description: Bulk CaMnO3 (CMO) is a canted G-type antiferromagnet. Theoretical calculations reveal a strain-induced transition to A-type antiferromagnetic ordering when grown in thin-film on SrTiO3 (STO) or LaAlO3 (LAO) substrates leading to a net uncompensated interfacial moment. HAADF-HRSTEM measurements reveal a sharp strained interfacial region, while magnetometry reveals a large average saturation magnetization which decreases with film thickness. Polarized neutron reflectometry will allow us to measure the depth-dependent saturation magnetization in thin CMO films to attribute the observed magnetism to strain at the film-substrate interface. We will compare samples grown on different substrates (STO vs. LAO) and of different thicknesses (3 nm vs. 30 nm) to verify the effects of strain and film relaxation.
DOI: 10.5286/isis.e.rb2210249-1
title: Structure of Betaine-Glycerol Deep Eutectic Solvents with Iron Ions

description: Deep euetctic solvents (DES) are an emerging group of hydrogen bonding solvents, which have garnered interest due to their greener and highly tuneable nature. Most studies have focused on halogen containing DES, and the halide ion has been identified as a significant contributor to both the solvent structure and solvation processes. But these DES can be unsuitable for applications such as catalysis due to catalyst poisoning, and here we aim to investigate the processes behind the solvation of iron nitrate in the halogen free DES betaine:glycerol (molar ratio of 1:3). We aim to compare this to the neat DES structure previously studied by us. Through in situ measurements we will also investigate the structure and processes during iron oxide nanoparticle formation, to form a comprehensive image of the system together with the in situ EXAFS measurements we have collected for this system.
DOI: 10.3535/7lx-36r-ddj
title: Macroptilium (Benth.) Urb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/lg5-nex-dzc
title: Urena sinuata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210177
title: Ammonia adsorption in defect-engineered Zr-based metal-organic frameworks

description: Ammonia adsorption in a defect-engineered metal-organic framework, UiO-67, will be investigated by in situ neutron powder diffraction. Information will be obtained about the crystal structures of defect-engineered UiO-67 as a function of ammonia loading, as well as the location of ammonia molecules within the porous structures. It will help us to interpret the interaction between ammonia molecules and UiO-67 structures as well as how it leads to controllable ammonia adsorption. This work will lead to the rational design of metal-organic frameworks for ammonia storage, transportation and in situ decomposition to hydrogen.
DOI: 10.5286/isis.e.rb2210177-1
title: Ammonia adsorption in defect-engineered Zr-based metal-organic frameworks

description: Ammonia adsorption in a defect-engineered metal-organic framework, UiO-67, will be investigated by in situ neutron powder diffraction. Information will be obtained about the crystal structures of defect-engineered UiO-67 as a function of ammonia loading, as well as the location of ammonia molecules within the porous structures. It will help us to interpret the interaction between ammonia molecules and UiO-67 structures as well as how it leads to controllable ammonia adsorption. This work will lead to the rational design of metal-organic frameworks for ammonia storage, transportation and in situ decomposition to hydrogen.
DOI: 10.5286/isis.e.rb2210293
title: Combining neutron reflectometry and simulations to characterise interaction of model mRNA with cationic membranes

description: Cationic (or ionisable) lipids, along with neutral helper lipids and cholesterol, form a crucial component of lipid nanoparticles (LNPs), which are currently used as delivery agents for mRNA-based drugs (e.g Covid-19 vaccines). Despite the success in this area, there remain many challenges. The current formulation of these LNPs is highly unstable, therefore must be stored at very low temperatures. One of the main reasons for this instability is the degradation of mRNA inside the complex LNP environment. An understanding of interactions between RNA and cationic/neutral membranes would provide insight into the mechanism of this degradation and the stability and function of LNPs, therefore aid in the rational design of new formulations. The power of computational simulations to aid in analysis of experimental data from complex samples has grown and can be used to infer structural details.
DOI: 10.3535/5t0-55x-5gd
title: Eleusine indica (L.) Gaertn.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rd1-h75-t7y
title: Metastelma linearifolium A. Rich.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210159
title: Correlation of Crystalline and Magnetic Morphology in Cobalt and Manganese Ferrite Nanoparticles

description: The main aim of this study is to correlate the magnetic morphology of ferrite cube nanoparticles with their crystalline structure, which is highly important for the explanation of relaxation effects, technologically relevant for e.g., magnetic hyperthermia, and the magnetic microstructure. For this purpose, we will need to unveil precisely not only the chemical morphology with spatial resolution, but also magnetic morphology of nanoparticles in order to be able to discriminate the bulk and surface contributions to the magnetic disorder. Only with this information we will be able to explain the connection between crystallinity, size and shape of the nanoparticles and their resulting magnetic morphology. Thus, this study will ultimately uncover the entanglement between the physical properties (magnetization and surface disorder) and the structure (i.e. crystalline shape and size).
DOI: 10.5286/isis.e.rb2210159-1
title: Correlation of Crystalline and Magnetic Morphology in Cobalt and Manganese Ferrite Nanoparticles

description: The main aim of this study is to correlate the magnetic morphology of ferrite cube nanoparticles with their crystalline structure, which is highly important for the explanation of relaxation effects, technologically relevant for e.g., magnetic hyperthermia, and the magnetic microstructure. For this purpose, we will need to unveil precisely not only the chemical morphology with spatial resolution, but also magnetic morphology of nanoparticles in order to be able to discriminate the bulk and surface contributions to the magnetic disorder. Only with this information we will be able to explain the connection between crystallinity, size and shape of the nanoparticles and their resulting magnetic morphology. Thus, this study will ultimately uncover the entanglement between the physical properties (magnetization and surface disorder) and the structure (i.e. crystalline shape and size).
DOI: 10.5286/isis.e.rb2210293-1
title: Combining neutron reflectometry and simulations to characterise interaction of model mRNA with cationic membranes

description: Cationic (or ionisable) lipids, along with neutral helper lipids and cholesterol, form a crucial component of lipid nanoparticles (LNPs), which are currently used as delivery agents for mRNA-based drugs (e.g Covid-19 vaccines). Despite the success in this area, there remain many challenges. The current formulation of these LNPs is highly unstable, therefore must be stored at very low temperatures. One of the main reasons for this instability is the degradation of mRNA inside the complex LNP environment. An understanding of interactions between RNA and cationic/neutral membranes would provide insight into the mechanism of this degradation and the stability and function of LNPs, therefore aid in the rational design of new formulations. The power of computational simulations to aid in analysis of experimental data from complex samples has grown and can be used to infer structural details.
DOI: 10.3535/xks-6vw-h64
title: Grisebachianthus R. M. King & H. Rob.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2200021
title: Chipir commercial access: NUCLETUDES

description: “electronics boards”
DOI: 10.5286/isis.e.rb2200021-1
title: Chipir commercial access: NUCLETUDES

description: “electronics boards”
DOI: 10.3535/4jv-wpb-gtv
title: Guettarda L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/4nq-aev-t5g
title: Tabebuia Gomes

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210219
title: Magnetic ground states of staggered and chiral integer-spin chains

description: We plan to study two spin-1 antiferromagnets, where the Ni(II) ions are connected in (i) a staggered and (ii) chiral-chain structure. Previous studies of similar spin-1/2 Cu(II) systems revealed a host of interesting magnetic properties, such as a magnetic-field-induced energy gap and family of exotic excitations that map on to the soliton and breather modes of the sine-Gordon equation. Spin-1 chains, however, are known to differ fundamentally from their spin-1/2 counterparts, and the structure of these materials suggests the presence of an unusual, alternating single-ion anisotropy, which adds further complexity to the magnetism. Muon-spin relaxation measurements show that the materials adopt an ordered magnetic structure below T = 2.3 K and 2.2 K. We propose to use neutron diffraction to determine the ordered magnetic structures in advance of measurements of the excitation spectra.
DOI: 10.5286/isis.e.rb2210219-1
title: Magnetic ground states of staggered and chiral integer-spin chains

description: We plan to study two spin-1 antiferromagnets, where the Ni(II) ions are connected in (i) a staggered and (ii) chiral-chain structure. Previous studies of similar spin-1/2 Cu(II) systems revealed a host of interesting magnetic properties, such as a magnetic-field-induced energy gap and family of exotic excitations that map on to the soliton and breather modes of the sine-Gordon equation. Spin-1 chains, however, are known to differ fundamentally from their spin-1/2 counterparts, and the structure of these materials suggests the presence of an unusual, alternating single-ion anisotropy, which adds further complexity to the magnetism. Muon-spin relaxation measurements show that the materials adopt an ordered magnetic structure below T = 2.3 K and 2.2 K. We propose to use neutron diffraction to determine the ordered magnetic structures in advance of measurements of the excitation spectra.
DOI: 10.5286/isis.e.rb2210271
title: Nuclear and Magnetic Structure Analysis of a Novel Perovskite Nickelate

description: Perovskite nickelates, with general formula A3+NiO3, are of considerable interest due to their electronic and magnetic features, which are closely tied to their structural parameters as the A3+ cation is varied (A3+ = Ln, Tl or Bi). Using high pressure synthesis, we find that we can make a novel nickelate perovskite, InNiO3. This new nickelate expands the series significantly, as In3+ is now the smallest cation in the series. We require neutron diffraction data in order to adequately analyse both nuclear and magnetic structure, as accurate determination of the oxygen positions is essential to fully understand the material and the magnetic properties of InNiO3 appear to be markedly different to other A3+NiO3 perovskites in the series. Neutron diffraction will provide a key insight into the fundamental properties of InNiO3, in the broader context of the A3+NiO3 series as a whole.
DOI: 10.3535/50g-axj-vvl
title: Hippocratea volubilis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/hm1-29g-a69
title: Arivela viscosa (L.) Raf.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2200020
title: Measurements of single-event burn-out of HV power devices for different technology nodes

description: High-voltage power semiconductor devices, such as IGBTs, diodes and MOSFETs are susceptible to destructive failure due to terrestrial cosmic radiation (CR). As a consequence, device development has to ensure adequate radiation hardness for every device technology. In order to reduce testing times accelerated irradiation tests at facilities with a nucleon energy spectrum close to the natural terrestrial CR are essential. Infineon has organized irradiation test campaigns on a regular basis. A detailed description of power device testing together with several references to our work can, e.g., be found in:Soelkner, G., Ensuring the reliability of power electronic devices with regards to terrestrial cosmic radiation, MicroelectrRel_58 (2016) pp. 39 to50.Also, a JEDEC standard, JEP151, which is based on suggestions by Infineon, has been published.
DOI: 10.5286/isis.e.rb2210101
title: Structural investigation on a new family of amorphous calcium ortho- and pyro-phosphates materials for bone substitution

description: Amorphous calcium phosphates have been extensively studied as bioactive bone substitute materials thanks to the biocompatibility and bioactivity of calcium orthophosphate phases. A few studies on calcium pyrophosphate biomaterials have demonstrated their promising biological properties through cell and animal studies and a clinical trial. Recently, we demonstrated the possibility to associate both ortho- and pyro-phosphates in the same amorphous material and the capability of this new family of materials to degrade and lead apatite formation in different acellular media. We propose to perform neutron diffraction with isotopic substitution experiments (in complement of X-ray experiments) and to determine the short range order around H and Ca atoms, which could allow us to solve the structure of these new amorphous materials that is crucial to predict their in vivo behaviour.
DOI: 10.5286/isis.e.rb2210101-1
title: Structural investigation on a new family of amorphous calcium ortho- and pyro-phosphates materials for bone substitution

description: Amorphous calcium phosphates have been extensively studied as bioactive bone substitute materials thanks to the biocompatibility and bioactivity of calcium orthophosphate phases. A few studies on calcium pyrophosphate biomaterials have demonstrated their promising biological properties through cell and animal studies and a clinical trial. Recently, we demonstrated the possibility to associate both ortho- and pyro-phosphates in the same amorphous material and the capability of this new family of materials to degrade and lead apatite formation in different acellular media. We propose to perform neutron diffraction with isotopic substitution experiments (in complement of X-ray experiments) and to determine the short range order around H and Ca atoms, which could allow us to solve the structure of these new amorphous materials that is crucial to predict their in vivo behaviour.
DOI: 10.5286/isis.e.rb2210271-1
title: Nuclear and Magnetic Structure Analysis of a Novel Perovskite Nickelate

description: Perovskite nickelates, with general formula A3+NiO3, are of considerable interest due to their electronic and magnetic features, which are closely tied to their structural parameters as the A3+ cation is varied (A3+ = Ln, Tl or Bi). Using high pressure synthesis, we find that we can make a novel nickelate perovskite, InNiO3. This new nickelate expands the series significantly, as In3+ is now the smallest cation in the series. We require neutron diffraction data in order to adequately analyse both nuclear and magnetic structure, as accurate determination of the oxygen positions is essential to fully understand the material and the magnetic properties of InNiO3 appear to be markedly different to other A3+NiO3 perovskites in the series. Neutron diffraction will provide a key insight into the fundamental properties of InNiO3, in the broader context of the A3+NiO3 series as a whole.
DOI: 10.21233/n31f7g
title: Nueltin Lake Site 9 pollen surface sample dataset

description: Raw data for the Nueltin Lake Site 9 pollen surface sample dataset submitted to the Neotoma Paleoecology Database. Data is available through the landing page in JSON format. The landing page referenced by the DOI also contains links to publications and a map-based viewer for the dataset. The Neotoma Paleoecology Database maintains a homepage at https://www.neotomadb.org.
DOI: 10.3535/1bn-xnq-27e
title: Anastraphia obtusifolia Britton

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2200020-1
title: Measurements of single-event burn-out of HV power devices for different technology nodes

description: High-voltage power semiconductor devices, such as IGBTs, diodes and MOSFETs are susceptible to destructive failure due to terrestrial cosmic radiation (CR). As a consequence, device development has to ensure adequate radiation hardness for every device technology. In order to reduce testing times accelerated irradiation tests at facilities with a nucleon energy spectrum close to the natural terrestrial CR are essential. Infineon has organized irradiation test campaigns on a regular basis. A detailed description of power device testing together with several references to our work can, e.g., be found in:Soelkner, G., Ensuring the reliability of power electronic devices with regards to terrestrial cosmic radiation, MicroelectrRel_58 (2016) pp. 39 to50.Also, a JEDEC standard, JEP151, which is based on suggestions by Infineon, has been published.