cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2270006
title: Muon spin relaxation study of magnetic cluster glass formation accompanying suppression of ferromagnetic order in Sr1-x(La0.5K0.5)xRuO3

description: Sr1-x(La0.5K0.5)xRuO3 is a substitutional magnetic system, in which ferromagnetic (FM) order originating from itinerant Ru 4d electrons is suppressed by increasing the dopant concentration x and disappears at the critical concentration x = 0.5. Recently, we have performed a detailed magnetic and thermal experiment and found that the FM ordered state changes to a cluster-glass state, before reaching the critical concentration, and therefore, no prominent feature ascribed to the FM quantum critical fluctuations was observed in thermodynamic measurements. The formation of the cluster-glass state seems to markedly affect to the electronic properties of Sr1-x(La0.5K0.5)xRuO3 at around the critical concentration. In this study, we propose to perform zero-field and longitudinal muSR experiments to study the microscopic details of the cluster glass state and the dynamics of magnetic clusters.
DOI: 10.5286/isis.e.rb2420405
title: Liquid water at 2GPa: bonding and networks

description: Water remains one of the most intriguing liquids and much of its behaviour is poorly understood. We are carrying out simulations of water as a function of changing density. This proposal is for neutron data to provide complementary structural information in the crucial 0.4-2 GPa pressure range where none currently exist.
DOI: 10.5286/isis.e.rb2420405-1
title: Liquid water at 2GPa: bonding and networks

description: Water remains one of the most intriguing liquids and much of its behaviour is poorly understood. We are carrying out simulations of water as a function of changing density. This proposal is for neutron data to provide complementary structural information in the crucial 0.4-2 GPa pressure range where none currently exist.
DOI: 10.3535/0gw-l6e-sm8
title: Stylosanthes biflora (L.) Britton, Sterns & Poggenb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/llf-wb5-zlx
title: Mentha canadensis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2400073-1
title: Self-assembled polyrotaxane hydrogels based on dynamic disulfide bonds

description: We have developed novel hydrogels with remarkable toughness and stretchability through the threading and host-guest interactions between thiolated α-cyclodextrins (SHαCD) and poly(ethyleneglycol) (PEG) (PhD project of Xiang Xu). The formation of disulfide bridges between SHαCD threaded on different chains leads to the formation of a network. Properties can be improved with the addition of thiols as PEG end groups, preventing the unthreading of SHαCD from the chains. The design of these gels, with crosslinks able to slide and rotate, and disulfide bonds, which present a range of attractive properties, from in vivo degradation, to mucoadhesion, or cell permeation enhancement, make these gels excellent candidates for biomedical applications. We request rapid access to enable timely publication and because access through the direct route will result in beamtime too close to the end of Xiang’s PhD.
DOI: 10.5286/isis.e.rb2420443
title: Frustrated Lewis pairs in ionic liquids – towards operando experiments

description: Frustrated Lewis pairs (FLPs) are a combination of a Lewis acid and a Lewis base (e.g. borane/phosphine), prevented from forming an adduct by steric hindrance. In a solvent, the acid and the base remain partly associated in a weakly bound encounter complex, in which the HOMO orbital of the base and the LUMO orbital of an acid remain free. This allows for unique, transition metal-like reactivity of FLPs, including metal-free activation of H2. Our past work served as the first direct experimental evidence for the existence of encounter complex in benzene, and more recently – for enhanced encounter complex formation in ionic liquids (ILs). Here, we propose the study of FLP-IL solutions that are supported on a porous solid (MCM-41), to explore differences between bulk solutions and solutions in pores, and building towards the study of metal free, in operando hydrogenations.
DOI: 10.5286/isis.e.rb2420443-1
title: Frustrated Lewis pairs in ionic liquids – towards operando experiments

description: Frustrated Lewis pairs (FLPs) are a combination of a Lewis acid and a Lewis base (e.g. borane/phosphine), prevented from forming an adduct by steric hindrance. In a solvent, the acid and the base remain partly associated in a weakly bound encounter complex, in which the HOMO orbital of the base and the LUMO orbital of an acid remain free. This allows for unique, transition metal-like reactivity of FLPs, including metal-free activation of H2. Our past work served as the first direct experimental evidence for the existence of encounter complex in benzene, and more recently – for enhanced encounter complex formation in ionic liquids (ILs). Here, we propose the study of FLP-IL solutions that are supported on a porous solid (MCM-41), to explore differences between bulk solutions and solutions in pores, and building towards the study of metal free, in operando hydrogenations.
DOI: 10.21233/n32r4r
title: Pelly Bay pollen surface sample dataset

description: Raw data for the Pelly 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: 10.34816/ifao.archives.232898
title: SAQQARA_nb_1994_03381

description: Référence : nb_1994_03381<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/bhn-0y5-lxl
title: Dicentra cucullaria (L.) Bernh.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2400073
title: Self-assembled polyrotaxane hydrogels based on dynamic disulfide bonds

description: We have developed novel hydrogels with remarkable toughness and stretchability through the threading and host-guest interactions between thiolated α-cyclodextrins (SHαCD) and poly(ethyleneglycol) (PEG) (PhD project of Xiang Xu). The formation of disulfide bridges between SHαCD threaded on different chains leads to the formation of a network. Properties can be improved with the addition of thiols as PEG end groups, preventing the unthreading of SHαCD from the chains. The design of these gels, with crosslinks able to slide and rotate, and disulfide bonds, which present a range of attractive properties, from in vivo degradation, to mucoadhesion, or cell permeation enhancement, make these gels excellent candidates for biomedical applications. We request rapid access to enable timely publication and because access through the direct route will result in beamtime too close to the end of Xiang’s PhD.
DOI: 10.5286/isis.e.rb2490292-1
title: Replicating the original measurement of NiO on HRPD
DOI: 10.3535/4sw-5tm-r5f
title: Corydalis flavula (Raf.) DC.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ksy-etj-xz1
title: Leucospora multifida (Michx.) Nutt.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220016-2
title: Stochastic dynamics in corannulene and its flat counterpart perylene

description: We have recently discovered the emergence of dynamically disordered solid as well as fluid phases in the carbon-based �buckybowl� corannulene, a finding of direct relevance for the development and subsequent deployment of a new class of mesoscopic media for the storage of thermal and chemical energy. Building upon our recent works [see Carbon 183 196 (2021) and Carbon 155 432 (2019)], this proposal seeks to complete our work on corannulene in the liquid and supercooled states, and to extend it via the study of perylene, its flat and isobaric counterpart. In combination with other experimental data and computer simulations, these results will be used to establish the effects of molecular curvature on the transport properties and behaviour across their stable and metastable phases, and link this information to the emergence of stochastic motions and diffusion in both solid and liquid.
DOI: 10.5286/isis.e.rb2420404
title: Probing the influence of RNA cargos and polymer ratios on the structure of mRNA vaccines based on lipid-polymer hybrid nanoparticles

description: RNA therapeutics are expected to revolutionize medicine. However, how to safely deliver RNA into the correct cells still a hindrance. Lipid-polymer hybrid nanoparticles (LPNs), composed of ionizable cationic lipid and a polymer, can deliver RNA to target tissues, but little is known about the structure-activity relationship of these LPNs. We have designed monodisperse mRNA-loaded LPNs using the microfluidics manufacturing method that displays very high in vitro and in vivo transfection efficiency and immunogenicity in initial vaccination studies in mice. CryoTEM imaging suggests that these LPNs show structural characteristics that depend on: (i) the lipid:polymer ratio, (ii) the lipid:RNA ratio. At the same time, based on the SAXS and SANS data we acquired, we found differences in the high-q regions, which may indicate a difference in probed structure due to the different contrasts that lipid and RNA have with x-rays and neutrons. For an optimised RNA-loaded LPN formulation, we aim to reveal the structure and component distribution of LPNs for a range of formulations (lipid:polymer ratio, lipid:RNA ratio and type of RNA cargo) in conditions relevant to the extracellular and endosomal compartment (physiological and acidic pH).
DOI: 10.5286/isis.e.rb2420404-1
title: Probing the influence of RNA cargos and polymer ratios on the structure of mRNA vaccines based on lipid-polymer hybrid nanoparticles

description: RNA therapeutics are expected to revolutionize medicine. However, how to safely deliver RNA into the correct cells still a hindrance. Lipid-polymer hybrid nanoparticles (LPNs), composed of ionizable cationic lipid and a polymer, can deliver RNA to target tissues, but little is known about the structure-activity relationship of these LPNs. We have designed monodisperse mRNA-loaded LPNs using the microfluidics manufacturing method that displays very high in vitro and in vivo transfection efficiency and immunogenicity in initial vaccination studies in mice. CryoTEM imaging suggests that these LPNs show structural characteristics that depend on: (i) the lipid:polymer ratio, (ii) the lipid:RNA ratio. At the same time, based on the SAXS and SANS data we acquired, we found differences in the high-q regions, which may indicate a difference in probed structure due to the different contrasts that lipid and RNA have with x-rays and neutrons. For an optimised RNA-loaded LPN formulation, we aim to reveal the structure and component distribution of LPNs for a range of formulations (lipid:polymer ratio, lipid:RNA ratio and type of RNA cargo) in conditions relevant to the extracellular and endosomal compartment (physiological and acidic pH).
DOI: 10.3535/4hj-k43-8b5
title: Corydalis aurea Willd.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/6r7-erf-drd
title: Sporobolus paniculatus (Trin.) T.Durand & Schinz

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420229
title: Peculiar thermal expansion induced by enhanced Fe interaction in (Ti,Zr)Fe2+x alloy

description: In the (Ti,Zr)Fe2+x system, we further break through the stoichiometric ratio limit of AB2 type alloys by supercritical quenching (rapid cooling with liquid nitrogen), which may reverse part of Fe to the original 4f position occupied by non-magnetic elements and enhance the magnetic volume effect (MVE). Finally, we obtained the widest near zero thermal expansion (ZTE) temperature range (within 523K) of the system. Due to the similar atomic numbers of Ti and Fe in the sample, high intensity X-rays do not distinguish them well. However, the bound coherent scattering lengths of Ti (-0.35×10-12 cm) and Fe (0.95×10-12 cm) are significantly different, so neutron powder diffraction is a powerful means to distinguish between the two elements. In this proposal, we hope to conduct neutron powder diffraction to (i) determine the accurate crystal structures by distinguishing Ti and Fe, (ii) reveal the magnetic structures, (iii) obtain the magnetic moment of Fe as a function of temperatures, which is a critical step to understand the structure-property relationship in these compounds.
DOI: 10.5286/isis.e.rb2420229-1
title: Peculiar thermal expansion induced by enhanced Fe interaction in (Ti,Zr)Fe2+x alloy

description: In the (Ti,Zr)Fe2+x system, we further break through the stoichiometric ratio limit of AB2 type alloys by supercritical quenching (rapid cooling with liquid nitrogen), which may reverse part of Fe to the original 4f position occupied by non-magnetic elements and enhance the magnetic volume effect (MVE). Finally, we obtained the widest near zero thermal expansion (ZTE) temperature range (within 523K) of the system. Due to the similar atomic numbers of Ti and Fe in the sample, high intensity X-rays do not distinguish them well. However, the bound coherent scattering lengths of Ti (-0.35×10-12 cm) and Fe (0.95×10-12 cm) are significantly different, so neutron powder diffraction is a powerful means to distinguish between the two elements. In this proposal, we hope to conduct neutron powder diffraction to (i) determine the accurate crystal structures by distinguishing Ti and Fe, (ii) reveal the magnetic structures, (iii) obtain the magnetic moment of Fe as a function of temperatures, which is a critical step to understand the structure-property relationship in these compounds.
DOI: 10.5286/isis.e.rb2420364-1
title: Short and long range magnetic ordering in the distorted triangular lattice TbOF

description: The proposal aims to study the magnetic excitations in the ordered and disordered phase of the rhombohedral compound, TbOF, space group R-3m (166), a triangular lattice and a potential host for exotic magnetic states. TbOF, shows unusual magnetic properties with the magnetic susceptibility revealing a broad maximum at around 10 K and a second transition near 5 K. These transitions correspond to a complex disordered phase and a long range ordered phase, respectively, according to neutron diffraction. We will study the crystal field levels and low-lying magnetic excitations to elucidate the relevant magnetic exchange interactions and anisotropies that drive the magnetic behaviour in TbOF.
DOI: 10.3535/320-0vq-4px
title: Sporobolus strictus Franch.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/vsp-2ps-8vt
title: Sporobolus cordofanus (Hochst. ex Steud.) Hérincq ex Coss.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420168
title: Impact of Molecular Structure on Assembly of Microemulsions in Porous Electrodes

description: Microemulsions (ME) have applications in a variety of sectors from food products to pharmaceuticals and healthcare to energy materials, with recent interest in their electrochemical functionality for use in energy-related devices. MEs consist of oil, water, and surfactants that comprise of a hydrophilic head and a hydrophobic tail. From a molecular perspective, their functionality is dependent on the ordering and packing of the surfactant at the oil-water interface. For instance, our recent studies of Tween-20/water/toluene MEs probed the ternary phase diagram with cyclic voltammetry, conductivity, SANS, and NMR. The electrochemical techniques have shown there is facile electron transfer from ferrocene in the oil phase and the electrochemical kinetics are sufficient for use in an energy storage device. Similar studies are underway for the Brij-35/water/toluene system, as both Brij-35 and Tween-20 are non-ionic surfactants with similar structure, except Brij-35 is a linear molecule, while Tween-20 is branched. Thus, the local packing and ordering of Tween-20 at the oil-water interface will differ from that of Brij-35, which in turn may impact ionic transport across the interface. We are interested in understanding how this variation in molecular structure and local packing will impact the mesoscale structure and assembly of the ME and correlate this to its performance in an energy storage device.
DOI: 10.5286/isis.e.rb2420168-1
title: Impact of Molecular Structure on Assembly of Microemulsions in Porous Electrodes

description: Microemulsions (ME) have applications in a variety of sectors from food products to pharmaceuticals and healthcare to energy materials, with recent interest in their electrochemical functionality for use in energy-related devices. MEs consist of oil, water, and surfactants that comprise of a hydrophilic head and a hydrophobic tail. From a molecular perspective, their functionality is dependent on the ordering and packing of the surfactant at the oil-water interface. For instance, our recent studies of Tween-20/water/toluene MEs probed the ternary phase diagram with cyclic voltammetry, conductivity, SANS, and NMR. The electrochemical techniques have shown there is facile electron transfer from ferrocene in the oil phase and the electrochemical kinetics are sufficient for use in an energy storage device. Similar studies are underway for the Brij-35/water/toluene system, as both Brij-35 and Tween-20 are non-ionic surfactants with similar structure, except Brij-35 is a linear molecule, while Tween-20 is branched. Thus, the local packing and ordering of Tween-20 at the oil-water interface will differ from that of Brij-35, which in turn may impact ionic transport across the interface. We are interested in understanding how this variation in molecular structure and local packing will impact the mesoscale structure and assembly of the ME and correlate this to its performance in an energy storage device.
DOI: 10.5286/isis.e.rb2420364
title: Short and long range magnetic ordering in the distorted triangular lattice TbOF

description: The proposal aims to study the magnetic excitations in the ordered and disordered phase of the rhombohedral compound, TbOF, space group R-3m (166), a triangular lattice and a potential host for exotic magnetic states. TbOF, shows unusual magnetic properties with the magnetic susceptibility revealing a broad maximum at around 10 K and a second transition near 5 K. These transitions correspond to a complex disordered phase and a long range ordered phase, respectively, according to neutron diffraction. We will study the crystal field levels and low-lying magnetic excitations to elucidate the relevant magnetic exchange interactions and anisotropies that drive the magnetic behaviour in TbOF.
DOI: 10.3535/8d1-ht7-bxx
title: Scutellaria nervosa Pursh

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220063
title: Evaluation of Dislocation Character in Eurofer97 around the Ductile-to-Brittle Transition Temperature

description: The characterisation and development of structural materials for nuclear fusion reactors poses a significant challenge to the adoption of fusion energy. Eurofer97 (E97) is a front running reduced activation ferritic martensitic steel candidate in this area. It is important that candidate materials maintain their structural properties, and a comprehensive understanding of the ductile to brittle transition (DBT) is therefore desirable. This work will utilise in-situ neutron diffraction of E97 tensile samples at temperatures around the DBT to evaluate changing dislocation behaviour. Through analysis of shifting peak position and width, the dislocation density and character, as well as the elastic properties and yield flow stress of E97 around the DBT will be established. Dislocation character is strongly linked to embrittlement, and this work represents a novel means of evaluating the DBT.
DOI: 10.5286/isis.e.rb2220063-1
title: Evaluation of Dislocation Character in Eurofer97 around the Ductile-to-Brittle Transition Temperature

description: The characterisation and development of structural materials for nuclear fusion reactors poses a significant challenge to the adoption of fusion energy. Eurofer97 (E97) is a front running reduced activation ferritic martensitic steel candidate in this area. It is important that candidate materials maintain their structural properties, and a comprehensive understanding of the ductile to brittle transition (DBT) is therefore desirable. This work will utilise in-situ neutron diffraction of E97 tensile samples at temperatures around the DBT to evaluate changing dislocation behaviour. Through analysis of shifting peak position and width, the dislocation density and character, as well as the elastic properties and yield flow stress of E97 around the DBT will be established. Dislocation character is strongly linked to embrittlement, and this work represents a novel means of evaluating the DBT.
DOI: 10.3535/0n2-nvp-1c7
title: Smilax tamnoides L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zj8-gwn-znw
title: Smilax herbacea L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420402
title: The antifungal activity of GIK-modified amphiphilic peptides

description: The fungal infection has emerged as a significant global health concern primarily due to the misuse of drugs resulting from multidrug resistance and the slow pace of developing new antifungal agents. However, antifungal peptides (AFPs) may be a competitive candidate for solving this dilemma. AFPs function by binding to fungal membranes via surface electrostatic potentials, subsequently inducing membrane depolarization and increased permeability through hydrophobic interactions. This mechanism acts swiftly, effectively eliminating pathogens before resistance mechanisms can develop. Compared to natural AFPs, synthetic AFPs display enhanced properties including low toxicity to host cells, fewer unknown side effects, sufficient efficacy, stability, simpler sequences and low production costs and GIK with the sequence G(IIKK)3I-NH2 is spurious among them as an antifungal agent. Modifying GIK by altering the amino acids sequence to manipulate its electoral and hydrophobic properties may refine this amphophilic peptide's antifungal.
DOI: 10.5286/isis.e.rb2420402-1
title: The antifungal activity of GIK-modified amphiphilic peptides

description: The fungal infection has emerged as a significant global health concern primarily due to the misuse of drugs resulting from multidrug resistance and the slow pace of developing new antifungal agents. However, antifungal peptides (AFPs) may be a competitive candidate for solving this dilemma. AFPs function by binding to fungal membranes via surface electrostatic potentials, subsequently inducing membrane depolarization and increased permeability through hydrophobic interactions. This mechanism acts swiftly, effectively eliminating pathogens before resistance mechanisms can develop. Compared to natural AFPs, synthetic AFPs display enhanced properties including low toxicity to host cells, fewer unknown side effects, sufficient efficacy, stability, simpler sequences and low production costs and GIK with the sequence G(IIKK)3I-NH2 is spurious among them as an antifungal agent. Modifying GIK by altering the amino acids sequence to manipulate its electoral and hydrophobic properties may refine this amphophilic peptide's antifungal.