cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2410045
title: Analysis of microstructural characteristics of modern replicas of phosphoric and arsenic-phosphoric iron alloys, a calibration study

description: Many iron-and-steel artefacts produced in Europe between the 2nd and 14th centuries AD were produced with pattern-welded composites materials made of phosphoric- or phosphoric-arsenic iron and phosphorus/arsenic-free iron or steel. Identification of phosphoric- and arsenic-phosphoric iron in archaeological iron artefacts is of extreme importance for determining both the manner of their production and technological 
characteristics, and in the broader context for mapping the evolution of blacksmithing traditions. Neutron imaging and BENT are potentially effective methods for the investigation of this type of archaeological metallic artefacts. We propose to start the activity related to the identification and characterization of central European archaeological artefacts containing phosphoric/arsenic iron by determining morphological and microstructural features of replicas of known characteristics, to pave the way for future historical metallurgy sample analysis.
DOI: 10.5286/isis.e.rb2410045-1
title: Analysis of microstructural characteristics of modern replicas of phosphoric and arsenic-phosphoric iron alloys, a calibration study

description: Many iron-and-steel artefacts produced in Europe between the 2nd and 14th centuries AD were produced with pattern-welded composites materials made of phosphoric- or phosphoric-arsenic iron and phosphorus/arsenic-free iron or steel. Identification of phosphoric- and arsenic-phosphoric iron in archaeological iron artefacts is of extreme importance for determining both the manner of their production and technological 
characteristics, and in the broader context for mapping the evolution of blacksmithing traditions. Neutron imaging and BENT are potentially effective methods for the investigation of this type of archaeological metallic artefacts. We propose to start the activity related to the identification and characterization of central European archaeological artefacts containing phosphoric/arsenic iron by determining morphological and microstructural features of replicas of known characteristics, to pave the way for future historical metallurgy sample analysis.
DOI: 10.5286/isis.e.rb2420051
title: Elucidation of TeO3 to TeO4 transition in bismuth tellurite glass for superionic glass host development

description: Our study pioneers the elucidation of the TeO3 to TeO4 transition in bismuth tellurite glasses, a pivotal advancement for solid-state battery through the optimization of tellurite-based superionic material hosts. FTIR spectroscopy revealed notable shifts in the TeO2 functional units' peaks, particularly the TeO3 peak moving to a lower wavenumber near the TeO4 peak at critical Bi2O3 concentrations of 7 & 11 mol%. This shift signifies a reduction in non-bridging oxygen sites (NBO), crucial for enhancing Li+ ion mobility. This finding was further substantiated by molecular dynamics simulations which identified Te-O pair distribution function g(r) peak at 1.817 Å, (the "3" short bonds) in pure TeO2 glass (0 mol% Bi2O3) and peak at 2.125 Å (the longer “+1” bond) at 10 - 50 mol% of Bi2O3, suggesting a structural shift towards TeO4 configurations. The intensity of this “+1” peak intensifies with Bi2O3 addition, marking a clear structural transition. Hence, our research proposes to leverage high-resolution neutron diffraction to dissect the Te atom environment and its coordination shift amidst increasing Bi2O3. The neutron diffraction study focuses on confirming the Te-O g(r), average Te-O coordination number nTeO, and average Te–O bond distance rTeO spanning xBi2O3-(100-x)TeO2 formulations (x = 0, 10, 20, 30, 40, to 50 mol%). We request 3 days on the General Materials Diffractometer (GEM) to facilitates total scattering measurements for this array of compositions.
DOI: 10.3535/8df-rt9-hsx
title: Poa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ams-53x-aqw
title: Solidago canadensis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420067-1
title: What drives anion order in TiOF?

description: FeOF and TiOF both adopt the rutile structure, and exhibit anion ordering within 2D {110} planes. This anion order gives rise to diffuse scattering, caused by covalency-driven displacements of cations (M = Fe, Ti) within fac-MO3F3 octahedra. Surprisingly, the anion order is different in each case. Recent theoretical predictions have suggested that the TiOF ordering is caused by Ti-Ti (d1-d1) dimerization, but this would have to persist to extremely high temperatures. The aim of this experiment is therefore to investigate the Ti-Ti distance at high temperatures to (dis)prove this hypothesis.
DOI: 10.5286/isis.e.rb2420459
title: How do lipids regulate cell death? Investigating how membrane lipid composition impacts the distribution of lipid-protein complexes formed during apoptosis
DOI: 10.5286/isis.e.rb2420459-1
title: How do lipids regulate cell death? Investigating how membrane lipid composition impacts the distribution of lipid-protein complexes formed during apoptosis
DOI: 10.34816/ifao.archives.232923
title: SAQQARA_nb_1994_05978

description: Référence : nb_1994_05978<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/067-9bx-b7d
title: Juncus nodosus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/gqd-l52-a68
title: Solidago radula Nutt.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2400042
title: H/D effect in the Manganese analogue of Prussian Blue

description: The manganese analogue of Prussian Blue of formula Mn(II)3[Mn(III)(CN)6]2•(D2O)6.xD2O (x = 6-10) is the first deuterated Prussian Blue analogue (PBA) that has shown a structural phase transition from cubic to tetragonal at low temperature in an X-ray single crystal diffraction study on a sample of volume about 0.02 mm3. Such small crystals have always been impossible to use in a neutron diffraction experiment, especially on SXD for the low power of the ISIS Neutron source and the low flux of the water moderator. Recently the upgrade of all detectors on SXD to the new Wavelength Shifting Fibre technology, has open the possibility of challenging the limit of the instrument and use much smaller samples. This experiment has the dual aim of: i) testing the capability of the new detectors with a real challenging sample; ii) gather new information on the structure of the d-MnPB.
DOI: 10.5286/isis.e.rb2400042-1
title: H/D effect in the Manganese analogue of Prussian Blue

description: The manganese analogue of Prussian Blue of formula Mn(II)3[Mn(III)(CN)6]2•(D2O)6.xD2O (x = 6-10) is the first deuterated Prussian Blue analogue (PBA) that has shown a structural phase transition from cubic to tetragonal at low temperature in an X-ray single crystal diffraction study on a sample of volume about 0.02 mm3. Such small crystals have always been impossible to use in a neutron diffraction experiment, especially on SXD for the low power of the ISIS Neutron source and the low flux of the water moderator. Recently the upgrade of all detectors on SXD to the new Wavelength Shifting Fibre technology, has open the possibility of challenging the limit of the instrument and use much smaller samples. This experiment has the dual aim of: i) testing the capability of the new detectors with a real challenging sample; ii) gather new information on the structure of the d-MnPB.
DOI: 10.5286/isis.e.rb2420067
title: What drives anion order in TiOF?

description: FeOF and TiOF both adopt the rutile structure, and exhibit anion ordering within 2D {110} planes. This anion order gives rise to diffuse scattering, caused by covalency-driven displacements of cations (M = Fe, Ti) within fac-MO3F3 octahedra. Surprisingly, the anion order is different in each case. Recent theoretical predictions have suggested that the TiOF ordering is caused by Ti-Ti (d1-d1) dimerization, but this would have to persist to extremely high temperatures. The aim of this experiment is therefore to investigate the Ti-Ti distance at high temperatures to (dis)prove this hypothesis.
DOI: 10.3535/dmy-qgm-ba4
title: Euthamia lanceolata (L.) G. L. Nesom

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5281/zenodo.15845337
title: Arctic lake drainage types and drainage month (2000-2020)

description: Lake drainage events may cause catastrophic flooding in the Arctic, impacting topography, ecosystems, and permafrost carbon dynamics. Among the 3,955 drainage events recorded between 2000 and 2020, lateral drainage was the predominant type, with most events occurring in May and June. In this context, lake drainage events are defined as those involving lakes with an initial area greater than 10 hectares and a loss of more than 50% of their surface area.
DOI: 10.5286/isis.e.rb2300083-1
title: The Search for Selenium Hydrogen Bonding

description: Hydrogen bonding is ubiquitous and plays a fundamental role across multiple disciplines such as chemistry, biology and physics. Since its identification more than a century ago (Latimer and Rodebush, 1920), oxygen and nitrogen have been the most studied hydrogen bonding donors and acceptors, while the exploration of hydrogen bonding with other group VI elements, such as sulfur and selenium, is lacking and often overlooked. Here, we request 4 days on SANDALS to study the structure of the simplest selenol, methaneselenol, to unambiguously determine the existence of selenium hydrogen bonding in the liquid state (never been reported in the liquid), while providing a complete picture of the system in comparison with the results from previous allocated beamtime (RB2220561) on the solution structure of methanethiol (MeSH) and MeSH/MeOH mixtures.
DOI: 10.5286/isis.e.rb2510250
title: Study of Higher Energy Spin Dynamics in Frustrated MnCr2S4 Using Inelastic Neutron Scattering

description: Frustrated spinel compound MnCr2S4 shows two consecutive transitions at T_c = 65 K to a ferrimagnetic state and at T_YK = 5 K to the Yafet-Kittel (YK) phase. Ultrasound and magnetization experiments on MnCr2S4 revealed a series of field-driven phase transitions too. In analogy to the quantum-lattice gas models it was proposed that the zero field phase below T_YK and the field-induced phases can be described as exotic spin superfluid and spin supersolid states of quantum nature, respectively. With our preliminary powder INS measurements at OSIRIS, we successfully observed presence of low energy excitation modes up to 5 meV and its thermal evolution. However, it also looks that the low-energy modes observed at 50 K near 2-3 meV energy transfer move to higher energy sides (above 5 meV) with decreasing temperature below 50 K. However, due to the maximum energy (5 meV) transfer limitation of the OSIRIS instrument for a clean signal without background scattering, we could not verify that. Hence, to study such thermal evolution towards higher energy sides and by that to acquire more systematic and comprehensive picture, we need further detailed zero-field INS measurements on MnCr2S4 powder with transfer energy &gt;5 meV on MERLIN. Completion of these measurements will provide details of the spin excitation spectra emerging from the exotic spin-superfluid magnetic ground state and ferrimagnetic phase above, and will allow to determine precisely the ingredients of the spin Hamiltonian.
DOI: 10.5286/isis.e.rb2510250-1
title: Study of Higher Energy Spin Dynamics in Frustrated MnCr2S4 Using Inelastic Neutron Scattering

description: Frustrated spinel compound MnCr2S4 shows two consecutive transitions at T_c = 65 K to a ferrimagnetic state and at T_YK = 5 K to the Yafet-Kittel (YK) phase. Ultrasound and magnetization experiments on MnCr2S4 revealed a series of field-driven phase transitions too. In analogy to the quantum-lattice gas models it was proposed that the zero field phase below T_YK and the field-induced phases can be described as exotic spin superfluid and spin supersolid states of quantum nature, respectively. With our preliminary powder INS measurements at OSIRIS, we successfully observed presence of low energy excitation modes up to 5 meV and its thermal evolution. However, it also looks that the low-energy modes observed at 50 K near 2-3 meV energy transfer move to higher energy sides (above 5 meV) with decreasing temperature below 50 K. However, due to the maximum energy (5 meV) transfer limitation of the OSIRIS instrument for a clean signal without background scattering, we could not verify that. Hence, to study such thermal evolution towards higher energy sides and by that to acquire more systematic and comprehensive picture, we need further detailed zero-field INS measurements on MnCr2S4 powder with transfer energy &gt;5 meV on MERLIN. Completion of these measurements will provide details of the spin excitation spectra emerging from the exotic spin-superfluid magnetic ground state and ferrimagnetic phase above, and will allow to determine precisely the ingredients of the spin Hamiltonian.
DOI: 10.34816/ifao.archives.232924
title: SAQQARA_nb_1994_05979

description: Référence : nb_1994_05979<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/8wt-gsg-178
title: Rubus radicans Cav.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ks0-9ke-kjd
title: Geum quellyon Sweet

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2300083
title: The Search for Selenium Hydrogen Bonding

description: Hydrogen bonding is ubiquitous and plays a fundamental role across multiple disciplines such as chemistry, biology and physics. Since its identification more than a century ago (Latimer and Rodebush, 1920), oxygen and nitrogen have been the most studied hydrogen bonding donors and acceptors, while the exploration of hydrogen bonding with other group VI elements, such as sulfur and selenium, is lacking and often overlooked. Here, we request 4 days on SANDALS to study the structure of the simplest selenol, methaneselenol, to unambiguously determine the existence of selenium hydrogen bonding in the liquid state (never been reported in the liquid), while providing a complete picture of the system in comparison with the results from previous allocated beamtime (RB2220561) on the solution structure of methanethiol (MeSH) and MeSH/MeOH mixtures.
DOI: 10.5286/isis.e.rb2510524
title: Nanoscale features of hydrophilic electrospun fibers

description: The solubility and bioavailability of active pharmaceutical ingredients (APIs) are closely tied to their physical form, with over 75% of emerging APIs facing low aqueous solubility, hindering clinical application. Amorphous solid dispersions (ASDs) offer a promising solution by dispersing APIs in water-miscible polymer carriers, enhancing solubility and dissolution rates. However, ASDs often exhibit storage stability challenges, as they require concentrations above the solubility limit, making them thermodynamically unstable and prone to recrystallization. Electrospinning is an effective technique for producing high-surface-area ASD fibers, which could improve therapeutic delivery, yet the crystallization pathways remains from these systems poorly understood. We intend to probe the nanostructure of drug domains within electrospun fibres using Small-Angle Neutron Scattering (SANS), overcoming limitations of X-ray diffraction in detecting small crystallites. Initial SANS experiments have focused on hydrophobic polymers like poly(caprolactone) and poly(lactide-co-glycolide) with poorly soluble drugs, but exploring hydrophilic materials is essential for rapid drug release in applications like orally-dispersible medicines. This SANS proposal will thus probe nanoscale features of these hydrophilic electrospun ASDs.
DOI: 10.5286/isis.e.rb2510524-1
title: Nanoscale features of hydrophilic electrospun fibers

description: The solubility and bioavailability of active pharmaceutical ingredients (APIs) are closely tied to their physical form, with over 75% of emerging APIs facing low aqueous solubility, hindering clinical application. Amorphous solid dispersions (ASDs) offer a promising solution by dispersing APIs in water-miscible polymer carriers, enhancing solubility and dissolution rates. However, ASDs often exhibit storage stability challenges, as they require concentrations above the solubility limit, making them thermodynamically unstable and prone to recrystallization. Electrospinning is an effective technique for producing high-surface-area ASD fibers, which could improve therapeutic delivery, yet the crystallization pathways remains from these systems poorly understood. We intend to probe the nanostructure of drug domains within electrospun fibres using Small-Angle Neutron Scattering (SANS), overcoming limitations of X-ray diffraction in detecting small crystallites. Initial SANS experiments have focused on hydrophobic polymers like poly(caprolactone) and poly(lactide-co-glycolide) with poorly soluble drugs, but exploring hydrophilic materials is essential for rapid drug release in applications like orally-dispersible medicines. This SANS proposal will thus probe nanoscale features of these hydrophilic electrospun ASDs.
DOI: 10.21233/n35j6c
title: Keith Bay pollen surface sample dataset

description: Raw data for the Keith Bay 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: 10.3535/9gf-rh0-max
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rx5-dmr-0za
title: Geum andicola (Phil.) Reiche

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420502
title: Copy of The effect of different ligands on the change in conformational entropy in BCA

description: Changes of protein conformational entropy ΔS_conf and hydration layers are relevant for ligand-binding. The protein-ligand binding is governed by equilibrium thermodynamics ΔG=ΔH-TΔS, it occurs if ΔG is minimised. Previous work showed entropy-entropy compensation occurs between the protein streptavidin and its hydration layer. Another interesting system is bovine carbonic anhydrase II (BCAII). This protein has many compatible ligands. Two of these are 4-fluorobenzenesulfonamide (4-FBS) and pentafluorobenzenesulfonamide (PFBS). Analysing BCAII with 4-FBS and PFBS creates the opportunity to analyse different ligand binding affinities and their ΔS_conf. For this we aim to perform quasielastic neutron scattering experiments on BCAII in the ligand free and bound state for each ligand at different temperatures. We expect to see a negative ΔS_conf, as the ligand reduces the proteins flexibility
DOI: 10.5286/isis.e.rb2420502-1
title: Copy of The effect of different ligands on the change in conformational entropy in BCA

description: Changes of protein conformational entropy ΔS_conf and hydration layers are relevant for ligand-binding. The protein-ligand binding is governed by equilibrium thermodynamics ΔG=ΔH-TΔS, it occurs if ΔG is minimised. Previous work showed entropy-entropy compensation occurs between the protein streptavidin and its hydration layer. Another interesting system is bovine carbonic anhydrase II (BCAII). This protein has many compatible ligands. Two of these are 4-fluorobenzenesulfonamide (4-FBS) and pentafluorobenzenesulfonamide (PFBS). Analysing BCAII with 4-FBS and PFBS creates the opportunity to analyse different ligand binding affinities and their ΔS_conf. For this we aim to perform quasielastic neutron scattering experiments on BCAII in the ligand free and bound state for each ligand at different temperatures. We expect to see a negative ΔS_conf, as the ligand reduces the proteins flexibility
DOI: 10.5286/isis.e.rb2510714-1
title: Investigation of an alternative experiment using negative muons to determine the elemental composition of samples
DOI: 10.34816/ifao.archives.232925
title: SAQQARA_nb_1994_05980

description: Référence : nb_1994_05980<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/gek-62q-t84
title: Fragaria chiloensis (L.) Mill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/l7l-2ar-pfj
title: Geum quellyon Sweet

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2467107
title: The effect of hydrogen on the deformation behavior of zirconium alloys at elevated temperatures

description: Hydrogen ingress inevitably happens in zirconium alloy parts during the operation of nuclear reactors: resultantly hydrides form at low temperatures as brittle phases that can significantly reduce the alloys’ ductility and fracture toughness. Interestingly, upon the increase of testing temperature to above 200ºC, there is a brittle to ductile transition for hydride containing zirconium alloys. Possible mechanisms that might control the transition to ductile deformation might be associated with plasticity in both zirconium and/or hydrides, and enhanced plasticity in zirconium due to solute hydrogen atoms (hydrogen enabled softening). This proposal utilizes in-situ uniaxial tensile tests during diffraction at elevated temperatures on zirconium samples with and without hydrogen, so that the effect of solute hydrogen atoms on the activation of different slip systems can be studied through the analysis of lattice strain evolution. The generated strain data will be complemented by in-situ SEM HRDIC tests that reveal strain localization on individual grains. The goal is to understand whether solute hydrogen atoms can induce deformation behavior change of zirconium, and the magnitude of softening if there is, and providing deeper understanding of the brittle-ductile transition behavior.
DOI: 10.5286/isis.e.rb2467107-1
title: The effect of hydrogen on the deformation behavior of zirconium alloys at elevated temperatures

description: Hydrogen ingress inevitably happens in zirconium alloy parts during the operation of nuclear reactors: resultantly hydrides form at low temperatures as brittle phases that can significantly reduce the alloys’ ductility and fracture toughness. Interestingly, upon the increase of testing temperature to above 200ºC, there is a brittle to ductile transition for hydride containing zirconium alloys. Possible mechanisms that might control the transition to ductile deformation might be associated with plasticity in both zirconium and/or hydrides, and enhanced plasticity in zirconium due to solute hydrogen atoms (hydrogen enabled softening). This proposal utilizes in-situ uniaxial tensile tests during diffraction at elevated temperatures on zirconium samples with and without hydrogen, so that the effect of solute hydrogen atoms on the activation of different slip systems can be studied through the analysis of lattice strain evolution. The generated strain data will be complemented by in-situ SEM HRDIC tests that reveal strain localization on individual grains. The goal is to understand whether solute hydrogen atoms can induce deformation behavior change of zirconium, and the magnitude of softening if there is, and providing deeper understanding of the brittle-ductile transition behavior.
DOI: 10.5286/isis.e.rb2510714
title: Investigation of an alternative experiment using negative muons to determine the elemental composition of samples