cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2510336-1
title: Analysis of residual stress field in graded stainless steel, from austenite to ferrite built by Dual Wire Arc Additive Manufacturing Tungsten Inert Gas

description: Wire Arc Additive Manufacturing (WAAM), especially when incorporating multiple materials, is a promising process but faces challenges related to thermal cycling, which induces complex thermal, metallurgical, and mechanical phenomena, leading to residual stress and strain. These issues cause dimensional inaccuracies and reduced mechanical properties, complicating the manufacturing process. Dual-WAAM (D-WAAM) allows for more complex part production but introduces new mechanisms responsible for stress and strain that remain poorly understood. This proposal aims to explore the mixing effects of two stainless steels having different thermomechanical properties on stress development in the context of D-WAAM.
Stress analyses on ENGIN-X will provide insight into how thermal cycling and gradients impact residual stress and strain in both constant compositions and graded samples. Stress fields will be measured along the three orthogonal directions of the part, matching relevant directions of the welding process, to capture a comprehensive understanding of the residual stress distribution.
This research will enhance knowledge about how specific alloy combinations and microstructures affect stress and strain in D-WAAM, providing valuable data for numerical models to ultimately predict part mechanical behaviour. The outcomes are expected to guide the selection of optimal alloy combinations to minimize residual stress in D-WAAM parts. Additionally, this work supports ongoing PhD research.
DOI: 10.5286/isis.e.rb2510527-1
title: MuSR investigation of static and dynamic properties of spin-5/2 frustrated triangular lattice compound Ba3MnTa2O9

description: A polycrystalline sample of the title compound Ba3MnTa2O9 was prepared by the conventional solid- state reaction method. Rietveld refinement of the HR-XRD data at T = 300 K confirms that the material is in a single phase with P-3m1 (164) space group. Curie-Weiss fitting of magnetic susceptibility data indicates strong antiferromagnetic coupling (CW temperature -12K) among the Mn2+ (S = 5/2) moments arranged in a frustrated edge-shared triangular lattice. No clear evidence of long- range magnetic ordering at least down to 500 mK in susceptibility and specific heat is observed. A broad hump is observed ~3 K in the specific heat. These measurements indicate that Ba3MnTa2O9 might host a spin-liquid state. It is essential to perform the muSR experiments to explore the putative spin-liquid behavior in the well-characterized polycrystalline sample of Ba3MnTa2O9.
DOI: 10.3535/cya-zg3-tt5
title: Anemone nemorosa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/t12-edh-3wr
title: Dianthus deltoides L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2500030
title: Uncovering scaling laws for force labile proteins to enable the design of smart biomaterials

description: Protein hydrogels are a relatively new type of biomaterial known for providing interesting viscoelastic properties, including mimicking mechanical properties of human cartilage and built-in biological functionality. In this new study we focus on determining if colloidal or polymeric scaling laws can be used to describe a protein gel network which is built from a force labile, mechanically compliant protein building block. It has been hypothesized that the coil-like unfolded proteins occupy the intercluster region thereby contributing positively to the mechanics of the gels. We propose to use SANS to investigate the network structure of photochemically crosslinked force labile Bovine Serum Albumin (BSA) hydrogels at varying protein volume fraction (ϕ). We will interrogate the data utilising our previously described fractal structure model to extract key structural parameters such as correlation lengths and fractal dimensions of fractal protein clusters, to examine how these clusters vary in size, shape, and density as a function of ϕ crucial to determine the scaling laws (useful for gel design) and mesh size (useful for drug delivery).
DOI: 10.5286/isis.e.rb2500030-1
title: Uncovering scaling laws for force labile proteins to enable the design of smart biomaterials

description: Protein hydrogels are a relatively new type of biomaterial known for providing interesting viscoelastic properties, including mimicking mechanical properties of human cartilage and built-in biological functionality. In this new study we focus on determining if colloidal or polymeric scaling laws can be used to describe a protein gel network which is built from a force labile, mechanically compliant protein building block. It has been hypothesized that the coil-like unfolded proteins occupy the intercluster region thereby contributing positively to the mechanics of the gels. We propose to use SANS to investigate the network structure of photochemically crosslinked force labile Bovine Serum Albumin (BSA) hydrogels at varying protein volume fraction (ϕ). We will interrogate the data utilising our previously described fractal structure model to extract key structural parameters such as correlation lengths and fractal dimensions of fractal protein clusters, to examine how these clusters vary in size, shape, and density as a function of ϕ crucial to determine the scaling laws (useful for gel design) and mesh size (useful for drug delivery).
DOI: 10.5286/isis.e.rb2510527
title: MuSR investigation of static and dynamic properties of spin-5/2 frustrated triangular lattice compound Ba3MnTa2O9

description: A polycrystalline sample of the title compound Ba3MnTa2O9 was prepared by the conventional solid- state reaction method. Rietveld refinement of the HR-XRD data at T = 300 K confirms that the material is in a single phase with P-3m1 (164) space group. Curie-Weiss fitting of magnetic susceptibility data indicates strong antiferromagnetic coupling (CW temperature -12K) among the Mn2+ (S = 5/2) moments arranged in a frustrated edge-shared triangular lattice. No clear evidence of long- range magnetic ordering at least down to 500 mK in susceptibility and specific heat is observed. A broad hump is observed ~3 K in the specific heat. These measurements indicate that Ba3MnTa2O9 might host a spin-liquid state. It is essential to perform the muSR experiments to explore the putative spin-liquid behavior in the well-characterized polycrystalline sample of Ba3MnTa2O9.
DOI: 10.3535/tnl-d5c-thd
title: Saxifraga granulata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510056-1
title: Models of the [FeFe]-hydrogenase active site: Fe–µ–Fe versus aromatic reactivity

description: The [FeFe]-hydrogenase enzymes are some of the best catalysts know for generating hydrogen.We have an ongoing programme to understand how their chemistry works, and to replicate the core 'active site' of the enzyme. Here, we aim to establish that muonium reacts at the metal-metal bond in these systems even in the presence of aromatic groups.
DOI: 10.5286/isis.e.rb2510365
title: Hydrogen bonding network in a deep eutectic solvent for cryopreservation

description: Deep eutectic solvents are favored as non-toxic replacements for many solvent systems. As a replacement for the current solvent systems, for example dimethylsulfoxide, used for replacing water in the cryopreservation of tissue, the deep eutectic mixture of 3:1 glycerol:proline has already been shown to be an effective non-cytotoxic cryopreservant. In this study we explore the hydrogen bonding network of the ternary mixture of water/glycerol/proline with vibrational spectroscopy on the inelastic spectrometer TOSCA.
DOI: 10.5286/isis.e.rb2510365-1
title: Hydrogen bonding network in a deep eutectic solvent for cryopreservation

description: Deep eutectic solvents are favored as non-toxic replacements for many solvent systems. As a replacement for the current solvent systems, for example dimethylsulfoxide, used for replacing water in the cryopreservation of tissue, the deep eutectic mixture of 3:1 glycerol:proline has already been shown to be an effective non-cytotoxic cryopreservant. In this study we explore the hydrogen bonding network of the ternary mixture of water/glycerol/proline with vibrational spectroscopy on the inelastic spectrometer TOSCA.
DOI: 10.21233/n3v50h
title: Sarcpa Lake pollen surface sample dataset

description: Raw data for the Sarcpa Lake 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: 10.34816/ifao.archives.232995
title: SAQQARA_nb_1994_06066

description: Référence : nb_1994_06066<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/acd-fe3-bvv
title: Aster bellidiastrum (L.) Scop.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/l9g-njn-tsr
title: Sedum acre L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510056
title: Models of the [FeFe]-hydrogenase active site: Fe–µ–Fe versus aromatic reactivity

description: The [FeFe]-hydrogenase enzymes are some of the best catalysts know for generating hydrogen.We have an ongoing programme to understand how their chemistry works, and to replicate the core 'active site' of the enzyme. Here, we aim to establish that muonium reacts at the metal-metal bond in these systems even in the presence of aromatic groups.
DOI: 10.5286/isis.e.rb2510360
title: The Structure of Vanadium-Barium-Tellurite Ternary Glasses

description: We wish to better understand the interaction between the two network formers, V2O5 and TeO2 and the ternary modifier BaO. The aim is to measure changes in the glass structure and link these to changes in functional properties such as Tg, density, electrical properties, and optical properties. In addition, the data will be used in an ISIS facilities development studentship to develop coordination constraints in the Dissolve software to better simulate the structure of glasses. A previous study has been conducted analysing the structure of binary V2O5 and TeO2 to assess the change in coordination of TeO2 with the addition of a network former. This study will measure of a series of vanadium-barium-tellurite glasses, across the glass forming region, using neutron diffraction. Using a combination of direct fitting and computational analysis the coordination number of Te-O, V-O and Ba-O can be determined, and the effects of a ternary modifier can be reviewed. These results will then be used to develop structure property relationships for this glass series.
DOI: 10.5286/isis.e.rb2510360-1
title: The Structure of Vanadium-Barium-Tellurite Ternary Glasses

description: We wish to better understand the interaction between the two network formers, V2O5 and TeO2 and the ternary modifier BaO. The aim is to measure changes in the glass structure and link these to changes in functional properties such as Tg, density, electrical properties, and optical properties. In addition, the data will be used in an ISIS facilities development studentship to develop coordination constraints in the Dissolve software to better simulate the structure of glasses. A previous study has been conducted analysing the structure of binary V2O5 and TeO2 to assess the change in coordination of TeO2 with the addition of a network former. This study will measure of a series of vanadium-barium-tellurite glasses, across the glass forming region, using neutron diffraction. Using a combination of direct fitting and computational analysis the coordination number of Te-O, V-O and Ba-O can be determined, and the effects of a ternary modifier can be reviewed. These results will then be used to develop structure property relationships for this glass series.
DOI: 10.3535/v00-02r-s16
title: Silene latifolia subsp. alba (Mill.) Greuter & Burdet

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ymp-sx1-9na
title: Agrostemma githago L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510127
title: Investigation of the Excited-State Intermolecular Proton Transfer Mechanism in New ZnABPT Coordination Compound

description: Advancements in stimulus-responsive coordination compounds underscore their potential in various scientific domains. Among these, photochromism is notable due to its rapid and reversible color changes upon radiation exposure, often involving mechanisms such as excited-state proton transfer (ESPT), which necessitates short hydrogen bonds and planar atomic interactions. While ESPT has been investigated with other ligands, the luminescence properties of complexes with ABPT ligands remain insufficiently explored. Preliminary laboratory findings suggest ESPT in ABPT-containing complexes, which is of particular interest due to the triazole core's pharmacological relevance. This study investigates the ZnABPT coordination complex utilizing single-crystal neutron diffraction on the SXD to examine the proton transfer mechanism and the role of crystalline structure and hydrogen bonding under UV exposure. Preliminary X-ray diffraction confirmed the complex's triclinic structure, while powder X-ray analyses revealed unchanged diffraction patterns post-UV exposure, indicating preserved overall structure with minor atomic displacements. Spectral shifts upon exposure to acids and bases support the luminescent properties' dependence on proton transfer, with infrared analyses indicating transfer from the ABPT ligand to the nitrate counterion. Single-crystal neutron diffraction will be crucial for elucidating the proton transfer mechanism in these complexes.
DOI: 10.5286/isis.e.rb2510127-1
title: Investigation of the Excited-State Intermolecular Proton Transfer Mechanism in New ZnABPT Coordination Compound

description: Advancements in stimulus-responsive coordination compounds underscore their potential in various scientific domains. Among these, photochromism is notable due to its rapid and reversible color changes upon radiation exposure, often involving mechanisms such as excited-state proton transfer (ESPT), which necessitates short hydrogen bonds and planar atomic interactions. While ESPT has been investigated with other ligands, the luminescence properties of complexes with ABPT ligands remain insufficiently explored. Preliminary laboratory findings suggest ESPT in ABPT-containing complexes, which is of particular interest due to the triazole core's pharmacological relevance. This study investigates the ZnABPT coordination complex utilizing single-crystal neutron diffraction on the SXD to examine the proton transfer mechanism and the role of crystalline structure and hydrogen bonding under UV exposure. Preliminary X-ray diffraction confirmed the complex's triclinic structure, while powder X-ray analyses revealed unchanged diffraction patterns post-UV exposure, indicating preserved overall structure with minor atomic displacements. Spectral shifts upon exposure to acids and bases support the luminescent properties' dependence on proton transfer, with infrared analyses indicating transfer from the ABPT ligand to the nitrate counterion. Single-crystal neutron diffraction will be crucial for elucidating the proton transfer mechanism in these complexes.
DOI: 10.5286/isis.e.rb2590157-1
title: Structural characterisation of Ba1-xSrxTi0.89Hf0.11O3 relaxor ferroelectrics
DOI: 10.34816/ifao.archives.232996
title: SAQQARA_nb_1994_06068

description: Référence : nb_1994_06068<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/a82-j2e-3k9
title: Sedum sexangulare L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/r5r-2lj-4tk
title: Agrostemma githago L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510492
title: Saponin-lipid nanoparticles and their formulation intermediates: From molecular distribution to supramolecular structure

description: Saponins are a large family of glycoconjugates that share a triterpene structure. When formulated together with phospholipids and cholesterol, they self-assemble into a variety of unique structures depending on the composition. The Matrix-M™ adjuvant consists of two different populations of physically stable nanoparticles based on two different saponin fractions, and has been successfully applied in the clinic in e.g. vaccines against Covid, malaria and
veterinary vaccines. Their spherical cage-like structures and structural features have been previously characterised using lab-based methods and SAXS. However, little is understood about the molecular distribution within the saponin-lipid nanoparticles. We have recently successfully studied these particles using SANS. We now propose further characterization of the temperature related stability and the changes in morphology that the particles undergo during formulation. Knowledge of temperature effects and the self-assembly process will contribute to the scientific understanding of how these complex particles are formed which is essential information for product development.
DOI: 10.5286/isis.e.rb2510492-1
title: Saponin-lipid nanoparticles and their formulation intermediates: From molecular distribution to supramolecular structure

description: Saponins are a large family of glycoconjugates that share a triterpene structure. When formulated together with phospholipids and cholesterol, they self-assemble into a variety of unique structures depending on the composition. The Matrix-M™ adjuvant consists of two different populations of physically stable nanoparticles based on two different saponin fractions, and has been successfully applied in the clinic in e.g. vaccines against Covid, malaria and
veterinary vaccines. Their spherical cage-like structures and structural features have been previously characterised using lab-based methods and SAXS. However, little is understood about the molecular distribution within the saponin-lipid nanoparticles. We have recently successfully studied these particles using SANS. We now propose further characterization of the temperature related stability and the changes in morphology that the particles undergo during formulation. Knowledge of temperature effects and the self-assembly process will contribute to the scientific understanding of how these complex particles are formed which is essential information for product development.
DOI: 10.5286/isis.e.rb2510649-1
title: Radical oxidation of tear film – development of dry eye disease.

description: The proposal seeks to continue a series of experiments investigating the interaction between atmospheric radicals and the aqueous lipid covered layer protecting mammalian eyes. Eyes are one of the most exposed mucosal interfaces on mammals and oxidation of the film may result in dry eye disease. We wish to demonstrate that the morphology of partially deuterated proxy tear film mixtures changes with exposure to an atmospheric radical oxidant, OH radical. The work will also continue to test if human tear film harvested from the experimenters and placed at the air-water interface has enough contrast to be visible on INTER.
DOI: 10.3535/7cl-a5t-783
title: Solanum dulcamara L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/knh-0jj-s0f
title: Lathyrus oleraceus Lam.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510065
title: Possible valence-bond condensation and quantum spin liquid phase in the S=1/2 antiferromagnet Y3Cu2Sb3O14

description: We have identified a new Cu based system, Y3Cu2Sb3O14 which appears to have a geometrically 3D network of S=1/2 Cu2+ ions. Our studies show that the magnetic susceptibility χ(T), specific heat Cp(T), electron spin resonance (ESR), 89Y nuclear magnetic resonance (NMR), and muon spin relaxation (µSR) confirm the absence of any long-range magnetic ordering and the persistence of spin dynamics down to 77 mK in spite of large Curie-Weiss (CW) temperature, θ_CW= -33 K. From ESR, µSR, and 89Y NMR we find evidence of a transition at about 65 K which we suggest arises from a 2/3rd of the spins condensing into a singlet state. Another transition is seen with an onset at about 10 K in µSR, and 89Y NMR signifying the condensation of the remaining 1/3rd spins into a spin liquid state. Through inelastic neutron scattering, we propose to explore the magnetic excitation spectrum (high energy and low energy) of powder samples of the Y3Cu2Sb3O14. More specifically, we are looking for the spin excitation continuum and the relative inelastic spectral weight from the low (T&lt;60 K) and high-temperature (T&gt;60 K) as was obtained for LiZn2Mo3O8.
DOI: 10.5286/isis.e.rb2510065-1
title: Possible valence-bond condensation and quantum spin liquid phase in the S=1/2 antiferromagnet Y3Cu2Sb3O14

description: We have identified a new Cu based system, Y3Cu2Sb3O14 which appears to have a geometrically 3D network of S=1/2 Cu2+ ions. Our studies show that the magnetic susceptibility χ(T), specific heat Cp(T), electron spin resonance (ESR), 89Y nuclear magnetic resonance (NMR), and muon spin relaxation (µSR) confirm the absence of any long-range magnetic ordering and the persistence of spin dynamics down to 77 mK in spite of large Curie-Weiss (CW) temperature, θ_CW= -33 K. From ESR, µSR, and 89Y NMR we find evidence of a transition at about 65 K which we suggest arises from a 2/3rd of the spins condensing into a singlet state. Another transition is seen with an onset at about 10 K in µSR, and 89Y NMR signifying the condensation of the remaining 1/3rd spins into a spin liquid state. Through inelastic neutron scattering, we propose to explore the magnetic excitation spectrum (high energy and low energy) of powder samples of the Y3Cu2Sb3O14. More specifically, we are looking for the spin excitation continuum and the relative inelastic spectral weight from the low (T&lt;60 K) and high-temperature (T&gt;60 K) as was obtained for LiZn2Mo3O8.
DOI: 10.5286/isis.e.rb2510649
title: Radical oxidation of tear film – development of dry eye disease.

description: The proposal seeks to continue a series of experiments investigating the interaction between atmospheric radicals and the aqueous lipid covered layer protecting mammalian eyes. Eyes are one of the most exposed mucosal interfaces on mammals and oxidation of the film may result in dry eye disease. We wish to demonstrate that the morphology of partially deuterated proxy tear film mixtures changes with exposure to an atmospheric radical oxidant, OH radical. The work will also continue to test if human tear film harvested from the experimenters and placed at the air-water interface has enough contrast to be visible on INTER.
DOI: 10.34816/ifao.archives.232997
title: SAQQARA_nb_1994_06069

description: Référence : nb_1994_06069<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/4x9-77m-xkw
title: Solanum tuberosum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/v1r-sjq-vbp
title: Vicia sativa L.

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