cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2310313-1
title: Kraft Lignin Solubility in Deep Eutectic Solvents

description: Lignin stands as a promising raw material to produce commodities and specialty chemicals, yet its poor solubility remains a big challenge. Recently, deep eutectic solvents (DES) have been proposed as sustainable solvents with high potential to dissolve and valorize lignin. In the present study, the ability of DES based on cholinium chloride (ChCl) combined with alcohols and carboxylic acids as hydrogen bond donors to dissolve kraft lignin is examined. The main goal is to get insights on the importance of the water content on the solubility of kraft lignin in DES. Inelastic neutron scattering (INS) will be applied to unravel the DES-water-lignin interactions at a molecular level.
DOI: 10.5286/isis.e.rb2490000-1
title: Investigation of hydrogen bonding in carbon supports for catalysts
DOI: 10.21233/n3hz23
title: Esker (CA:Nunavut) pollen surface sample dataset

description: Raw data for the Esker (CA:Nunavut) 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/nd4-hl9-srg
title: Orchis latifolia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/slw-egg-eya
title: Orchis latifolia L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220039
title: QENS study of Proton Diffusion in Decorated Metal-Organic Frameworks
DOI: 10.5286/isis.e.rb2220039-1
title: QENS study of Proton Diffusion in Decorated Metal-Organic Frameworks
DOI: 10.5286/isis.e.rb2490003-1
title: Magnetism in Ulvospinel Fe2TiO4 single crystals
DOI: 10.3535/r0p-qv5-0qr
title: Tanacetum corymbosum (L.) Sch. Bip.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310257
title: Inelastic neutron scattering on Prussian White as a function of the Na and water content

description: Prussian Blue Analogues (PBAs, AxM[M'(CN)6)]·zH2O) are a promising class of materials for sustainable positive battery electrodes, especially Prussian White (PW, Na2-xFe[Fe(CN)6]) due to its high theoretical capacity (160-170 mAh/g) and high operating potential (~3.2 V). However, the material exhibits many phase transitions as a function of the Na and water content followed by large volume changes. Water stabilizes the structure but is not good for battery applications leading to capacity fade upon electrochemical cycling. Thus, it must be removed or replaced with another compatible molecule. To successfully chemically modify PBAs and substitute water, a deeper fundamental understanding of the interactions between water and the PBA framework is needed. Inelastic neutron scattering (INS) is an ideal technique to study how neutral guest species, such as water, interact with A-site cations in PBAs. The INS experiment aims at developing a fundamental understanding of the structure-property relationships in PBAs and to pave the way for developing improved energy storage materials.
DOI: 10.5286/isis.e.rb2310257-1
title: Inelastic neutron scattering on Prussian White as a function of the Na and water content

description: Prussian Blue Analogues (PBAs, AxM[M'(CN)6)]·zH2O) are a promising class of materials for sustainable positive battery electrodes, especially Prussian White (PW, Na2-xFe[Fe(CN)6]) due to its high theoretical capacity (160-170 mAh/g) and high operating potential (~3.2 V). However, the material exhibits many phase transitions as a function of the Na and water content followed by large volume changes. Water stabilizes the structure but is not good for battery applications leading to capacity fade upon electrochemical cycling. Thus, it must be removed or replaced with another compatible molecule. To successfully chemically modify PBAs and substitute water, a deeper fundamental understanding of the interactions between water and the PBA framework is needed. Inelastic neutron scattering (INS) is an ideal technique to study how neutral guest species, such as water, interact with A-site cations in PBAs. The INS experiment aims at developing a fundamental understanding of the structure-property relationships in PBAs and to pave the way for developing improved energy storage materials.
DOI: 10.5286/isis.e.rb2320047-1
title: Interaction between Cationic Lipopeptides and Models of Gram-Negative Bacterial Membranes Studied by Neutron Reflection

description: A group of designed lipopeptides with 4 amino acids have displayed large differences in antimicrobial efficacy and biocompatibility, as well as in secondary structures upon membrane binding. Neutron reflection is about the only method that could help reveal how these lipopeptides attack inner and outer membranes of Gram-negative bacteria from the established membrane models for bacteria, thus helping explain their anti-microbial actions. This work is part of PhD research by Tianhao Ge and constitutes an important aspect of our design and development of effective antimicrobial peptides.
DOI: 10.3535/52x-kjt-v0b
title: Orchis militaris L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/6p9-h7r-1rn
title: Orchis purpurea subsp. purpurea

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/n4r-g1s-y69
title: Chrysanthemum zawadzkii Herbich

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310302
title: Crystalline electric field excitations in frustrated antiferromagnets YbCuS2 and YbAgSe2 with an effective spin-1/2 zigzag chain

description: In rare-earth based semiconductors and insulators, superexchange interaction mediated by nonmagnetic anions plays the role in ordering of localized 4f moments. A zigzag spin chain is one of the appropriate stages to study the magnetic frustration relevant to a quantum spin liquid. In the present work, we focus on an Yb-based semiconductors YbCuS2 and YbAgSe2 with an effective spin-1/2 zigzag chain. The aim of the present experiment is to understand the origin of the 1/3 magnetization plateau and the magnetic frustration effect through investigation of the crystalline electric field (CEF) level schemes and the single-ion magnetic anisotropy. To determine the CEF schemes, we plan to perform inelastic neutron scattering (INS) experiments using powdered samples. Here, a wide energy range of MARI is essential because the large energy scale is expected in these compounds. The CEF level schemes will be determined by analyzing the temperature and Q dependences of the intensity of the excitation peaks.
DOI: 10.5286/isis.e.rb2310302-1
title: Crystalline electric field excitations in frustrated antiferromagnets YbCuS2 and YbAgSe2 with an effective spin-1/2 zigzag chain

description: In rare-earth based semiconductors and insulators, superexchange interaction mediated by nonmagnetic anions plays the role in ordering of localized 4f moments. A zigzag spin chain is one of the appropriate stages to study the magnetic frustration relevant to a quantum spin liquid. In the present work, we focus on an Yb-based semiconductors YbCuS2 and YbAgSe2 with an effective spin-1/2 zigzag chain. The aim of the present experiment is to understand the origin of the 1/3 magnetization plateau and the magnetic frustration effect through investigation of the crystalline electric field (CEF) level schemes and the single-ion magnetic anisotropy. To determine the CEF schemes, we plan to perform inelastic neutron scattering (INS) experiments using powdered samples. Here, a wide energy range of MARI is essential because the large energy scale is expected in these compounds. The CEF level schemes will be determined by analyzing the temperature and Q dependences of the intensity of the excitation peaks.
DOI: 10.5286/isis.e.rb2320047
title: Interaction between Cationic Lipopeptides and Models of Gram-Negative Bacterial Membranes Studied by Neutron Reflection

description: A group of designed lipopeptides with 4 amino acids have displayed large differences in antimicrobial efficacy and biocompatibility, as well as in secondary structures upon membrane binding. Neutron reflection is about the only method that could help reveal how these lipopeptides attack inner and outer membranes of Gram-negative bacteria from the established membrane models for bacteria, thus helping explain their anti-microbial actions. This work is part of PhD research by Tianhao Ge and constitutes an important aspect of our design and development of effective antimicrobial peptides.
DOI: 10.3535/9kb-xj1-r8q
title: Lobularia maritima (L.) Desv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310636-1
title: High temperature vibrational dynamics in SiO2

description: We propose to measure the T-evolution of the vibrational density of states in SiO2, from room temperature up to the liquid state. Our main target is the comprehension of the mechanisms underlying the boson peak. To the best of our knowledge, this experiment can be done only with the RISO furnace installed on LET. In addition, by exploiting the repetition rate multiplication of LET, we will get high-resolution measurements of the dynamic structure factor to determine the non-ergodicity factors, thus improving the comprehension of the glass transition phenomenology in the prototypical system of strong glassformer.
DOI: 10.5286/isis.e.rb2400007
title: Structural changes moving between Isomorphs

description: The goal of the experiment is to continue our work on the first experimental test of the predictions from isomorph theory,that the structure of a liquid, in reduced units, is invariant along certain lines, isomorphs, in the (P, T)-phase diagram. Isomorph theory predicts that the relaxation time of the liquid is invariant along isomorphs . A previous experiment conducted by the proposer group have shown great agreement with the predictions of isomorph theory for main liquid structure peak of cumene (Isopropylbenzene, C9H12), and the goal of the experiment is to give an microscopic understanding of the changes we see moving between isomorphs. Experimentally we wish to measure on cumene, d-cumene and 50:50 mixture, at four different state points along the ambient pressure isobar. Using isotopic substitution and EPSR to analyze the results. The unique construction of SANDALS (and NIMROD) makes it possible to measure neutron diffraction on both hydrogen-containing as well as deuterated samples.
DOI: 10.5286/isis.e.rb2400007-1
title: Structural changes moving between Isomorphs

description: The goal of the experiment is to continue our work on the first experimental test of the predictions from isomorph theory,that the structure of a liquid, in reduced units, is invariant along certain lines, isomorphs, in the (P, T)-phase diagram. Isomorph theory predicts that the relaxation time of the liquid is invariant along isomorphs . A previous experiment conducted by the proposer group have shown great agreement with the predictions of isomorph theory for main liquid structure peak of cumene (Isopropylbenzene, C9H12), and the goal of the experiment is to give an microscopic understanding of the changes we see moving between isomorphs. Experimentally we wish to measure on cumene, d-cumene and 50:50 mixture, at four different state points along the ambient pressure isobar. Using isotopic substitution and EPSR to analyze the results. The unique construction of SANDALS (and NIMROD) makes it possible to measure neutron diffraction on both hydrogen-containing as well as deuterated samples.
DOI: 10.34816/ifao.archives.232675
title: SAQQARA_pv_2004_00714

description: Référence : pv_2004_00714<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/d8l-bzy-6lb
title: Orchis purpurea subsp. purpurea

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q15-ejj-8nx
title: Pyrethrum corymbosum (L.) Scop.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220611-2
title: The dynamics of 2-dimensional methanol in halloysite nanotubes
DOI: 10.5286/isis.e.rb2255013-2
title: Investigation of the internal structure of lipid nanoparticles for gene delivery
DOI: 10.5286/isis.e.rb2310636
title: High temperature vibrational dynamics in SiO2

description: We propose to measure the T-evolution of the vibrational density of states in SiO2, from room temperature up to the liquid state. Our main target is the comprehension of the mechanisms underlying the boson peak. To the best of our knowledge, this experiment can be done only with the RISO furnace installed on LET. In addition, by exploiting the repetition rate multiplication of LET, we will get high-resolution measurements of the dynamic structure factor to determine the non-ergodicity factors, thus improving the comprehension of the glass transition phenomenology in the prototypical system of strong glassformer.
DOI: 10.3535/w7g-087-ehe
title: Odontites vernus (Bellardi) Dumort.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wg6-pab-nh6
title: Tanacetum corymbosum subsp. subcorymbosum (Schur) Pawl.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310146-2
title: Structure of niobium phosphate glasses with non-linear optical properties

description: The addition of Nb2O5 to phosphate glasses improves the chemical durability, increases the refractive index, and imparts non-linear optical properties, which opens-up the possibility of innovative applications in optical waveguiding. The non-linearity is achieved without the incorporation of toxic components such as lead, which has a beneficial environmental and health impact. To optimise the material properties, it is important to know their dependence on the glass structure. The composition dependence of the Nb coordination environment is, however, an unknown quantity. We propose to remedy this situation by using neutron diffraction to study the structure of glasses in the model system Nb2O5-NaPO3. The results will be combined with those from solid-state NMR experiments to build a comprehensive picture of the network connectivity and how it is influenced by varying the Nb content.
DOI: 10.5286/isis.e.rb2310241
title: Analysis of the low temperature spin correlations in the hexagonal Ising anti-ferromagnet NdCl3

description: Understanding the phases and properties of materials which do not conform to the paradigms derived from notions of canonical long-range order, are at the frontier of materials physics. Indeed, understanding short range spin correlations and how they reflect entanglement and other collective quantum phenomena is required to harness such physics for next generation technologies and advancing understanding of the fundamental properties of matter. A key ingredient for finding such behavior is novel three-dimensional spin networks which can generate strong geometric frustration. Furthermore, it is now recognized that the novel physics of frustrated spin networks is enhanced by the presence of anisotropic spin-spin interactions originating with strong spin-orbit coupling, thus rare-earth compounds are a particularly compelling place to look for new examples of frustrated materials. With these criteria in mind, we recently investigated the magnetic properties of the hexagonal Ising anti-ferromagnet NdCl3 and we suspect that this system may possess a novel short range or liquid like phase that surprisingly is hosted by lattices that appears to be highly 3-dimensional. Here we propose to study the spin correlations of NdCl3 at low temperatures, with elastic neutron scattering measurements.
DOI: 10.5286/isis.e.rb2310241-1
title: Analysis of the low temperature spin correlations in the hexagonal Ising anti-ferromagnet NdCl3

description: Understanding the phases and properties of materials which do not conform to the paradigms derived from notions of canonical long-range order, are at the frontier of materials physics. Indeed, understanding short range spin correlations and how they reflect entanglement and other collective quantum phenomena is required to harness such physics for next generation technologies and advancing understanding of the fundamental properties of matter. A key ingredient for finding such behavior is novel three-dimensional spin networks which can generate strong geometric frustration. Furthermore, it is now recognized that the novel physics of frustrated spin networks is enhanced by the presence of anisotropic spin-spin interactions originating with strong spin-orbit coupling, thus rare-earth compounds are a particularly compelling place to look for new examples of frustrated materials. With these criteria in mind, we recently investigated the magnetic properties of the hexagonal Ising anti-ferromagnet NdCl3 and we suspect that this system may possess a novel short range or liquid like phase that surprisingly is hosted by lattices that appears to be highly 3-dimensional. Here we propose to study the spin correlations of NdCl3 at low temperatures, with elastic neutron scattering measurements.
DOI: 10.34816/ifao.archives.232676
title: SAQQARA_pv_2004_00715

description: Référence : pv_2004_00715<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/7cr-r8z-y4m
title: Cleistogenes serotina (L.) Keng

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/e0d-jvn-nx4
title: Tanacetum corymbosum subsp. corymbosum

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310146
title: Structure of niobium phosphate glasses with non-linear optical properties

description: The addition of Nb2O5 to phosphate glasses improves the chemical durability, increases the refractive index, and imparts non-linear optical properties, which opens-up the possibility of innovative applications in optical waveguiding. The non-linearity is achieved without the incorporation of toxic components such as lead, which has a beneficial environmental and health impact. To optimise the material properties, it is important to know their dependence on the glass structure. The composition dependence of the Nb coordination environment is, however, an unknown quantity. We propose to remedy this situation by using neutron diffraction to study the structure of glasses in the model system Nb2O5-NaPO3. The results will be combined with those from solid-state NMR experiments to build a comprehensive picture of the network connectivity and how it is influenced by varying the Nb content.
DOI: 10.5286/isis.e.rb2320322
title: Investigation of the high temperature phase transitions in BaFe2O4

description: γ-BaFe2O4 shows antiferromagnetism and an improper ferroelectricity at room temperature. The latter is caused by the simultaneous presence of two non-polar distortion modes of the FeO4 units, namely the in-plane rotation of such units and the up-up-up-up-up-down ordering of the apical oxygens around the hexagonal cavities. In the proposed experiment we would like to explore the two phase transitions observed at high temperatures (above 1038 K) and characterize the ferroelectric to paraelectric phase transition.
DOI: 10.5286/isis.e.rb2320322-1
title: Investigation of the high temperature phase transitions in BaFe2O4

description: γ-BaFe2O4 shows antiferromagnetism and an improper ferroelectricity at room temperature. The latter is caused by the simultaneous presence of two non-polar distortion modes of the FeO4 units, namely the in-plane rotation of such units and the up-up-up-up-up-down ordering of the apical oxygens around the hexagonal cavities. In the proposed experiment we would like to explore the two phase transitions observed at high temperatures (above 1038 K) and characterize the ferroelectric to paraelectric phase transition.
DOI: 10.3535/r3d-gn7-0t0
title: Panicum miliaceum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/td5-494-y06
title: Achnatherum pekinense (Hance) Ohwi

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220011-6
title: The effects of CaO/SrO substitution in bioactive glasses: a combined structural and dynamical study
DOI: 10.5286/isis.e.rb2310170
title: Negative Thermal Expansion and Phase Transitions in Niobium Oxyfluoride

description: The rhenium trioxide (ReO3) structure is adopted by a number of materials, and is interesting because it can readily give rise to negative thermal expansion (NTE), i.e. the volume of the material unusually decreases on heating. This behaviour is not well understood, however, with only some ReO3-type materials showing NTE without an obvious distinction.
Niobium oxyfluoride (NbO2-xF1+x) also adopts the ReO3-type structure, and we have recently discovered that its thermal expansion can be tuned directly with x, from positive thermal expansion (x = 0) to negative thermal expansion (x = 0.6). This experiment aims to perform variable temperature measurements in order to understand the origin of this change in behaviour, using the anion sensitivity of neutrons to analyse the position and thermal motion of O and F atoms. In addition to better understanding these niobium oxyfluorides, we hope that these results will lead to a more general understanding of why NTE occurs in only some ReO3-type materials.
DOI: 10.5286/isis.e.rb2310170-1
title: Negative Thermal Expansion and Phase Transitions in Niobium Oxyfluoride

description: The rhenium trioxide (ReO3) structure is adopted by a number of materials, and is interesting because it can readily give rise to negative thermal expansion (NTE), i.e. the volume of the material unusually decreases on heating. This behaviour is not well understood, however, with only some ReO3-type materials showing NTE without an obvious distinction.
Niobium oxyfluoride (NbO2-xF1+x) also adopts the ReO3-type structure, and we have recently discovered that its thermal expansion can be tuned directly with x, from positive thermal expansion (x = 0) to negative thermal expansion (x = 0.6). This experiment aims to perform variable temperature measurements in order to understand the origin of this change in behaviour, using the anion sensitivity of neutrons to analyse the position and thermal motion of O and F atoms. In addition to better understanding these niobium oxyfluorides, we hope that these results will lead to a more general understanding of why NTE occurs in only some ReO3-type materials.
DOI: 10.34816/ifao.archives.232677
title: SAQQARA_pv_2004_00716

description: Référence : pv_2004_00716<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/x4x-n4e-v0n
title: Cleistogenes serotina (L.) Keng

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zty-kk3-5x1
title: Cupressaceae Gray

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