cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2410017-1
title: Investigation of possible quantum spin liquid ground state in d4 iridium double perovskite PrSrMgIrO6 using muon-spin-rotation/relaxation

description: A new series of Ir-based double perovskites Pr2-xSrxMgIrO6 (x = 0, 0.5, 1) has been theoretically proposed to undergo a transition from the spin-orbit-coupled Mott insulating phase at x = 0 to the elusive half-metallic antiferromagnetic (HMAFM) state with Sr doping at x = 1. But, in contrary to such claim, our detailed magnetic, electrical, and x-ray photoemission spectroscopy measurements clearly refute HMAFM ground state in either of the doped samples. Rather, we have evidenced that the correlated magnetic behaviors of each of these compounds are solely governed by the Ir-moments, while the magnetic Pr3+ only contributes to the total paramagnetic moments. While, there is clear indication of magnetic ordering transition for the x = 0 and 0.5 samples, the half-Sr-doped (x = 1) d4 iridate DP PrSrMgIrO6 (PSMIO) evades any magnetic transition till down to 2 K despite significant antiferromagnetic interaction, thus promoting the PrSrMgIrO6 material towards a potential quantum spin-liquid candidate. Therefore, we here propose to perform the in-depth microscopic local probe muon-spin-relaxation/rotation (µSR) experiments on PSMIO till down to 50 mK in order to confirm the true magnetic ground state and the ground state spin dynamics.
DOI: 10.5286/isis.e.rb2455033
title: Non-destructive residual stress and defect assessments on composite W fibers-Cu tube used in nuclear fusion applications
DOI: 10.5286/isis.e.rb2455033-1
title: Non-destructive residual stress and defect assessments on composite W fibers-Cu tube used in nuclear fusion applications
DOI: 10.34816/ifao.archives.232932
title: SAQQARA_nb_1994_05988

description: Référence : nb_1994_05988<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/r8q-sgc-56z
title: Cuscuta europaea L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410017
title: Investigation of possible quantum spin liquid ground state in d4 iridium double perovskite PrSrMgIrO6 using muon-spin-rotation/relaxation

description: A new series of Ir-based double perovskites Pr2-xSrxMgIrO6 (x = 0, 0.5, 1) has been theoretically proposed to undergo a transition from the spin-orbit-coupled Mott insulating phase at x = 0 to the elusive half-metallic antiferromagnetic (HMAFM) state with Sr doping at x = 1. But, in contrary to such claim, our detailed magnetic, electrical, and x-ray photoemission spectroscopy measurements clearly refute HMAFM ground state in either of the doped samples. Rather, we have evidenced that the correlated magnetic behaviors of each of these compounds are solely governed by the Ir-moments, while the magnetic Pr3+ only contributes to the total paramagnetic moments. While, there is clear indication of magnetic ordering transition for the x = 0 and 0.5 samples, the half-Sr-doped (x = 1) d4 iridate DP PrSrMgIrO6 (PSMIO) evades any magnetic transition till down to 2 K despite significant antiferromagnetic interaction, thus promoting the PrSrMgIrO6 material towards a potential quantum spin-liquid candidate. Therefore, we here propose to perform the in-depth microscopic local probe muon-spin-relaxation/rotation (µSR) experiments on PSMIO till down to 50 mK in order to confirm the true magnetic ground state and the ground state spin dynamics.
DOI: 10.5286/isis.e.rb2420288
title: SANS characterization of Melanosomes-derived hybrid particles designed for RNA delivery

description: Melanosomes are cell-secreted vesicles carrying melanin to keratinocytes. Being inherently designed to target skin cells, they are interesting candidates for the development of melanosomes-based nanovectors for the treatment of skin-related diseases, such as psoriasis, skin cancer and genetic skin diseases. In this framework, we are recently working on melanosome-derived vesicles, which have shown promising ability to transfect RNA to keratinocytes. With this SANS proposal we aim at (i) improving the structural and physicochemical characterization of these hybrid systems, (ii) structurally characterize RNA binding ability of melanosomes-based vectors (iii) determine the mechanism of interaction of melanosomes-derived hybrid vesicles with bio-relevant interfaces, i.e., lipid vesicles mimicking the composition of keratinocytes. Overall, the results of the study will contribute at improving the fundamental knowledge on melanosomes, thus fostering their application in RNA delivery and, more in general in the biomedical field.
DOI: 10.5286/isis.e.rb2420288-1
title: SANS characterization of Melanosomes-derived hybrid particles designed for RNA delivery

description: Melanosomes are cell-secreted vesicles carrying melanin to keratinocytes. Being inherently designed to target skin cells, they are interesting candidates for the development of melanosomes-based nanovectors for the treatment of skin-related diseases, such as psoriasis, skin cancer and genetic skin diseases. In this framework, we are recently working on melanosome-derived vesicles, which have shown promising ability to transfect RNA to keratinocytes. With this SANS proposal we aim at (i) improving the structural and physicochemical characterization of these hybrid systems, (ii) structurally characterize RNA binding ability of melanosomes-based vectors (iii) determine the mechanism of interaction of melanosomes-derived hybrid vesicles with bio-relevant interfaces, i.e., lipid vesicles mimicking the composition of keratinocytes. Overall, the results of the study will contribute at improving the fundamental knowledge on melanosomes, thus fostering their application in RNA delivery and, more in general in the biomedical field.
DOI: 10.3535/jgp-r39-k0b
title: Hydrangea integrifolia Hayata

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qmb-cv3-l4q
title: Veronica officinalis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420292
title: Neutron diffraction study of a Kondo ferromagnet with competing magnetic behaviours

description: Unlike their antiferromagnetic counterparts, the application of pressure to a Kondo ferromagnet rarely suppresses the Curie temperature to a quantum critical point, but instead there is often a change of ground state to an antiferromagnetic or spin-glass type phase. We propose to perform powder neutron diffraction measurements of a Ce-based Kondo ferromagnet using the WISH diffractometer. The magnetic ground state of this compound becomes antiferromagnetic under applied pressure, and there are indications of competing magnetic behaviours at ambient pressure. We aim to characterize the magnetic ground state at ambient pressure, and especially look for evidence of either an antiferromagnetic ordered component or short-range antiferromagnetic correlations at low temperatures. These results can help us gain a microscopic understanding of the competition and coexistence of these different magnetic phases, which is important for understanding their pressure evolution, as well as for the broader understanding of ferromagnetic quantum phase transitions.
DOI: 10.5286/isis.e.rb2420292-1
title: Neutron diffraction study of a Kondo ferromagnet with competing magnetic behaviours

description: Unlike their antiferromagnetic counterparts, the application of pressure to a Kondo ferromagnet rarely suppresses the Curie temperature to a quantum critical point, but instead there is often a change of ground state to an antiferromagnetic or spin-glass type phase. We propose to perform powder neutron diffraction measurements of a Ce-based Kondo ferromagnet using the WISH diffractometer. The magnetic ground state of this compound becomes antiferromagnetic under applied pressure, and there are indications of competing magnetic behaviours at ambient pressure. We aim to characterize the magnetic ground state at ambient pressure, and especially look for evidence of either an antiferromagnetic ordered component or short-range antiferromagnetic correlations at low temperatures. These results can help us gain a microscopic understanding of the competition and coexistence of these different magnetic phases, which is important for understanding their pressure evolution, as well as for the broader understanding of ferromagnetic quantum phase transitions.
DOI: 10.5286/isis.e.rb2590108-1
title: NPD of Al2TiO5
DOI: 10.34816/ifao.archives.232933
title: SAQQARA_nb_1994_05989

description: Référence : nb_1994_05989<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/8pr-3cn-vzt
title: Centipeda elatinoides (Less.) Benth. & Hook. fil. ex O. Hoffm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ppm-cq5-afw
title: Alliaria petiolata (M. Bieb.) Cavara & Grande

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310582
title: Validating Isomorph theory

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. Experimentally we therefore identify candidates for isomorphs as lines along which the relaxation time is the same (isochrones). We wish to examine the temperature and pressure dependent changes to the structure, by measuring on both deuterated and hydrogen-containing cumene (isopropylbenzene, C9H12). 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.rb2310582-1
title: Validating Isomorph theory

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. Experimentally we therefore identify candidates for isomorphs as lines along which the relaxation time is the same (isochrones). We wish to examine the temperature and pressure dependent changes to the structure, by measuring on both deuterated and hydrogen-containing cumene (isopropylbenzene, C9H12). 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.rb2469101-1
title: Determining water content in polymeric nano-particles to understand the mechanism behind chelator-free radiolabelling

description: Polymeric nanoparticles have significant applications in cancer treatment as carriers for chemotherapeutic drugs, leveraging the Enhanced Permeation and Retention (EPR) effect to target tumors. This effect, linked to the abnormal vasculature and lack of lymphatic drainage in tumors, varies among tumor types and patients, necessitating prior assessment for effective nanoparticle-based chemotherapy. Imaging techniques like SPECT, PET, or MRI can determine nanoparticle accumulation in tumors, requiring particles to be radiolabelled or loaded with contrast agents. We developed a chelator-free radiolabelling method that preserves particle properties by radiolabelling the micellar core, which works well with PEO-PCL polymers but less so with PEO-PB. Higher metal concentrations cause solid deposits in micelles, and radiolabelling efficiency peaks around one hour. Collaborating with TU Delft and Wageningen University, we found this method also applies to PLGA nanoparticles. Elemental speciation of the metal salt is critical, with metal hydroxide complexes essential for effective loading and stability. The mechanism of these complexes entering the hydrophobic core remains unclear, but water content in nanoparticles appears crucial. Understanding water exchange and transport in model systems could elucidate the radiolabelling mechanism and guide polymer selection for improved efficacy.
DOI: 10.3535/5dg-dr8-9cw
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zst-t6m-4nj
title: Ranunculus lingua L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420005
title: INS Studies of Cooperative Adsorption of Alkynes in Functional Metal-Organic Frameworks

description: Cooperative adsorption by porous materials shows significant potentials for challenging gas separation, because they often enable adsorbents with enhanced working capacity and selectivity. However, the mechanism on structural dynamics of host-guest binding remains poorly understood. We have recently developed a series of isostructural metal-organic frameworks (MOFs), namely MFU-4L-OH(M) (M = Co, Ni), which exhibit highly cooperative adsorption that results in exceptional binding with alkynes. In situ PXRD and IR spectroscopy suggests the presence of strong binding of alkynes during the cooperative adsorption. We request 5 days on TOSCA to investigate the binding dynamics of alkynes within these MOFs via in situ inelastic neutron scattering (INS) to gain full dynamic insights into sorption mechanism. This study will have significant impacts on removal of trace alkynes from lower olefins, an important process for polymer industry.
DOI: 10.5286/isis.e.rb2420005-1
title: INS Studies of Cooperative Adsorption of Alkynes in Functional Metal-Organic Frameworks

description: Cooperative adsorption by porous materials shows significant potentials for challenging gas separation, because they often enable adsorbents with enhanced working capacity and selectivity. However, the mechanism on structural dynamics of host-guest binding remains poorly understood. We have recently developed a series of isostructural metal-organic frameworks (MOFs), namely MFU-4L-OH(M) (M = Co, Ni), which exhibit highly cooperative adsorption that results in exceptional binding with alkynes. In situ PXRD and IR spectroscopy suggests the presence of strong binding of alkynes during the cooperative adsorption. We request 5 days on TOSCA to investigate the binding dynamics of alkynes within these MOFs via in situ inelastic neutron scattering (INS) to gain full dynamic insights into sorption mechanism. This study will have significant impacts on removal of trace alkynes from lower olefins, an important process for polymer industry.
DOI: 10.5286/isis.e.rb2469101
title: Determining water content in polymeric nano-particles to understand the mechanism behind chelator-free radiolabelling

description: Polymeric nanoparticles have significant applications in cancer treatment as carriers for chemotherapeutic drugs, leveraging the Enhanced Permeation and Retention (EPR) effect to target tumors. This effect, linked to the abnormal vasculature and lack of lymphatic drainage in tumors, varies among tumor types and patients, necessitating prior assessment for effective nanoparticle-based chemotherapy. Imaging techniques like SPECT, PET, or MRI can determine nanoparticle accumulation in tumors, requiring particles to be radiolabelled or loaded with contrast agents. We developed a chelator-free radiolabelling method that preserves particle properties by radiolabelling the micellar core, which works well with PEO-PCL polymers but less so with PEO-PB. Higher metal concentrations cause solid deposits in micelles, and radiolabelling efficiency peaks around one hour. Collaborating with TU Delft and Wageningen University, we found this method also applies to PLGA nanoparticles. Elemental speciation of the metal salt is critical, with metal hydroxide complexes essential for effective loading and stability. The mechanism of these complexes entering the hydrophobic core remains unclear, but water content in nanoparticles appears crucial. Understanding water exchange and transport in model systems could elucidate the radiolabelling mechanism and guide polymer selection for improved efficacy.
DOI: 10.34816/ifao.archives.232934
title: SAQQARA_nb_1994_05990

description: Référence : nb_1994_05990<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/xxm-kpj-dr7
title: Veronica scutellata L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310529-2
title: Study of structure and viscosity correlation in novel ionic liquids.

description: Ionic Liquids (ILs) have three distinct structural motifs: adjacency correlations, charge alterations, and polar-apolar alterations. Each of these motifs has its own relaxation. These motifs are associated with different length scales and are described by the peaks associated with the structure-function S(Q) and its time-dependent version S(Q,t). X-ray scattering experiments and MD simulations can probe the S(Q). On the other hand, QENS can be used to probe the variation of local dynamics over different length scales associated with the process of charge blurring within the charge networks. The amphiphilic ions show nanoscale domain segregation leading to regions with diﬀerent local frictions is one of the primary motivations for us to explore neutron scattering methods to measure the dynamics on speciﬁc length scales using QENS experiments which addressed by the variation of measured diffusivities across the length scales that define the charge-ordering of these ionic liquids, 
 Experiments show changing one atom or functional group of IL anion or cation results in a noticeable change in viscosity, while the liquid structure is largely unaffected. By combining NMR measurements together with molecular dynamics from QENS and the measured and calculated liquid factors, we plan to resolve the connections between ILs structure from glassy-state to liquid state, dynamics, and ion self-diffusivities and how these combines to determine the bulk liquid shear viscosities.
DOI: 10.5286/isis.e.rb2420485-1
title: Understanding the effect of surface coating and elemental doping on mitigating the decomposition of LiNiO2 and LiNi0.8Mn0.1Co0.1O2 cathode powders

description: LiNiO2 and LiNi0.8Mn0.1Co0.1O2 are promising cathode materials for next-generation high-energy-density Li-ion battery cathodes. However, their strong sensitivity to moisture and air prevents their industrial commercialisation. They react with H2O, CO2 and O2 under ambient conditions to form impurities such as LiOH and Li2CO3, which also leads to structural transitions in the parent material, thereby worsening their electrochemical performance. Therefore, these cathode materials are typically processed in dry rooms, which are expensive to maintain. Thus, reducing their sensitivity to ambient atmospheric conditions through either surface coating techniques or elemental doping, will make their processing simpler and cheaper, thereby directly facilitating their commercialisation. In this proposal, we intend to use in situ neutron diffraction studies to investigate whether these strategies can successfully mitigate the atmospheric degradation of these cathode materials. By following the structural transitions occurring in the parent and modified materials when heated under air through the in situ experiment, we will be able to gauge the utility of these techniques to improve the stability of these materials.
DOI: 10.5286/isis.e.rb2455019-4
title: In-Situ Measurement of High Pressure Gaseous Hydrogen Ingression in Metal
DOI: 10.3535/45d-q98-pgn
title: Linaria vulgaris Mill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/hhq-eev-swc
title: Ranunculus arvensis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410014
title: Hydrogen bond dynamics in sodium hydrogen bissulfate.

description: Detailed research on the nature of hydrogen bond (HB), including the examination of the inﬂuence of the environment, e.g., crystal ﬁeld, on the structure and dynamics, is of prime importance for the understanding of proton conductivity and is vital for the design of new and improved materials with desired properties. A precise description of proton dynamics is essential for accurate characterisation and prediction of properties of H-bonded ferroelectrics. Crystalline sodium hydrogen bissulfate (SHBS) is a ferroelectric system with the shortest non-symmetric HB known in the literature. As the shapes of both incident neutron energy-dependent transmission (NT) and NCS peaks on Vesuvio depend on the atom-projected VDOSes and, thus, on the underlying PMFs, we propose to employ both techniques to investigate the local nuclear quantum dynamics of SHBS and its deuterated counterpart systems at 10K, 100K, 200K, 300K and 550K. In addition to the VESUVIO proposal, SXD and TOSCA proposals will be submitted. From the SXD data on a single crystal of the SHBS and its deuterated counterpart, the average and local structure (in terms of the thermal ellipsoids) will be established. TOSCA data will serve as a comparison with the ab initio computed O–H (O-D) stretching envelope. The use of isotopologues will enable us to perform a critical appraisal of isotope effects on the local structure and dynamics.
DOI: 10.5286/isis.e.rb2410014-4
title: Hydrogen bond dynamics in sodium hydrogen bissulfate.

description: Detailed research on the nature of hydrogen bond (HB), including the examination of the inﬂuence of the environment, e.g., crystal ﬁeld, on the structure and dynamics, is of prime importance for the understanding of proton conductivity and is vital for the design of new and improved materials with desired properties. A precise description of proton dynamics is essential for accurate characterisation and prediction of properties of H-bonded ferroelectrics. Crystalline sodium hydrogen bissulfate (SHBS) is a ferroelectric system with the shortest non-symmetric HB known in the literature. As the shapes of both incident neutron energy-dependent transmission (NT) and NCS peaks on Vesuvio depend on the atom-projected VDOSes and, thus, on the underlying PMFs, we propose to employ both techniques to investigate the local nuclear quantum dynamics of SHBS and its deuterated counterpart systems at 10K, 100K, 200K, 300K and 550K. In addition to the VESUVIO proposal, SXD and TOSCA proposals will be submitted. From the SXD data on a single crystal of the SHBS and its deuterated counterpart, the average and local structure (in terms of the thermal ellipsoids) will be established. TOSCA data will serve as a comparison with the ab initio computed O–H (O-D) stretching envelope. The use of isotopologues will enable us to perform a critical appraisal of isotope effects on the local structure and dynamics.