cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2420228-1
title: Influence of intestinal colloidal structures and self-assembly on lipidbased formulations for enhancing peptide drug bioavailability

description: Therapeutics based on peptides show promise in the treatment of conditions such as diabetes, cancer, and
irritable bowel syndrome. Their big size and hydrophilic nature, however, make it difficult to achieve the best
oral bioavailability because of the intestinal epithelium's low permeability. To improve bioavailability,
different methods have been looked into, such as endocytic routes, microneedles, co-releasing transient
"permeability enhancer" fatty acid-based molecules, and combining PE molecules with lipid-based
excipients in pharmaceutical dosage forms. In the small intestine, fatty acid formulation and intestinal fluids
produce colloidal and solubilizing structures, which aid drug absorption. The intestinal medium and
formulation constituents interact intricately due to structural changes caused by dilution, digesting, and
absorption. The unpredictability of lipid-based permeability-enhanced administration reduces disease
treatment efficacy. To address these challenges, a comprehensive approach using small-angle X-ray and
neutron scattering, and molecular dynamics simulations is proposed. This integrated framework aims to
provide a detailed understanding of colloidal structures formed by the permeation enhancers, as well as
taurocholate, and phospholipids, the major components of intestinal fluids. This knowledge will enable the
tailored design of oral drug delivery systems for peptide drugs, addressing individual variabilities and
increasing bioavailability.
DOI: 10.3535/c57-dt5-60f
title: Luzula DC.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/krt-wtv-ewb
title: Lespedeza violacea (L.) Pers.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420048
title: A neutron imaging study of ethyne hydrogenation over supported palladium catalysts

description: In May 2023 the applicants used the IMAT facility to obtain vivid images of hydrogen adsorption and desorption over carbon-supported Pd catalysts (RB2220700). Follow-on measurements in July 2023 expanded the concept further by examining the hydrogenation of ethyne over a 5 wt% Pd/C powder catalyst in a stainless-steel reactor (RB2310426). Although problems were experienced with in-line analytical facilities, the neutron imaging measurements were successful and revealed differences in how hydrogen partitioned throughout the catalyst bed during continuous ethyne turnover. Further imaging measurements are scheduled in May 2024 that will develop new Sample Environment capability, which will enable operando experiments to be undertaken (RB2410647).

This proposal requests a new allocation of IMAT beamtime to further extend the ethyne hydrogenation investigations to image hydrogenation activity in regimes of low and high hydrogen supply. Crucially, the latter configuration will broach the concept of catalyst deactivation, which will provide data suitable for kinetic analysis.

The application of neutron imaging techniques to inspect hydrogenation reactions at the gas/solid interface is novel and requires careful and informed development to establish the technique’s full potential. Endorsement of the applicability of the approach adopted is evidenced by Johnson Matthey’s provision of an EPSRC Industrial CASE award for this endeavour.
DOI: 10.5286/isis.e.rb2420048-1
title: A neutron imaging study of ethyne hydrogenation over supported palladium catalysts

description: In May 2023 the applicants used the IMAT facility to obtain vivid images of hydrogen adsorption and desorption over carbon-supported Pd catalysts (RB2220700). Follow-on measurements in July 2023 expanded the concept further by examining the hydrogenation of ethyne over a 5 wt% Pd/C powder catalyst in a stainless-steel reactor (RB2310426). Although problems were experienced with in-line analytical facilities, the neutron imaging measurements were successful and revealed differences in how hydrogen partitioned throughout the catalyst bed during continuous ethyne turnover. Further imaging measurements are scheduled in May 2024 that will develop new Sample Environment capability, which will enable operando experiments to be undertaken (RB2410647).

This proposal requests a new allocation of IMAT beamtime to further extend the ethyne hydrogenation investigations to image hydrogenation activity in regimes of low and high hydrogen supply. Crucially, the latter configuration will broach the concept of catalyst deactivation, which will provide data suitable for kinetic analysis.

The application of neutron imaging techniques to inspect hydrogenation reactions at the gas/solid interface is novel and requires careful and informed development to establish the technique’s full potential. Endorsement of the applicability of the approach adopted is evidenced by Johnson Matthey’s provision of an EPSRC Industrial CASE award for this endeavour.
DOI: 10.5286/isis.e.rb2420228
title: Influence of intestinal colloidal structures and self-assembly on lipidbased formulations for enhancing peptide drug bioavailability

description: Therapeutics based on peptides show promise in the treatment of conditions such as diabetes, cancer, and
irritable bowel syndrome. Their big size and hydrophilic nature, however, make it difficult to achieve the best
oral bioavailability because of the intestinal epithelium's low permeability. To improve bioavailability,
different methods have been looked into, such as endocytic routes, microneedles, co-releasing transient
"permeability enhancer" fatty acid-based molecules, and combining PE molecules with lipid-based
excipients in pharmaceutical dosage forms. In the small intestine, fatty acid formulation and intestinal fluids
produce colloidal and solubilizing structures, which aid drug absorption. The intestinal medium and
formulation constituents interact intricately due to structural changes caused by dilution, digesting, and
absorption. The unpredictability of lipid-based permeability-enhanced administration reduces disease
treatment efficacy. To address these challenges, a comprehensive approach using small-angle X-ray and
neutron scattering, and molecular dynamics simulations is proposed. This integrated framework aims to
provide a detailed understanding of colloidal structures formed by the permeation enhancers, as well as
taurocholate, and phospholipids, the major components of intestinal fluids. This knowledge will enable the
tailored design of oral drug delivery systems for peptide drugs, addressing individual variabilities and
increasing bioavailability.
DOI: 10.34816/ifao.archives.232894
title: SAQQARA_nb_1994_03376

description: Référence : nb_1994_03376<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/g89-60r-qky
title: Persicaria hydropiperoides (Michx.) Small

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/z2v-0sz-3x5
title: Lespedeza capitata Michx.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420281
title: Organic molecular beam deposition of a smectic-like liquid crystal film

description: Compounds forming the Smectic E phase are a good candidate for field effect transistor materials in printed electronics, especially for the development of flexible electronic applications. Specular NR is proposed to be used for a precision structural description of the thin SmE LC films in a wide range of thicknesses. It is expected to detect differences in terms of scattering length density for layers near the substrate and far from it. Such data can indicate the type of orientation of these elongated molecules at the first stages of synthesis. For these purposes, we will additionally use a series of partially deuterated samples, allowing us to obtain reflectivities for two contrasts. Another issue in this study will be analyzing the up-down orientation of two types of LC molecules in the layers for ferroelectric ordering, which will be easily observed for “half-deuterated” molecules.
DOI: 10.5286/isis.e.rb2420281-1
title: Organic molecular beam deposition of a smectic-like liquid crystal film

description: Compounds forming the Smectic E phase are a good candidate for field effect transistor materials in printed electronics, especially for the development of flexible electronic applications. Specular NR is proposed to be used for a precision structural description of the thin SmE LC films in a wide range of thicknesses. It is expected to detect differences in terms of scattering length density for layers near the substrate and far from it. Such data can indicate the type of orientation of these elongated molecules at the first stages of synthesis. For these purposes, we will additionally use a series of partially deuterated samples, allowing us to obtain reflectivities for two contrasts. Another issue in this study will be analyzing the up-down orientation of two types of LC molecules in the layers for ferroelectric ordering, which will be easily observed for “half-deuterated” molecules.
DOI: 10.5286/isis.e.rb2490306-1
title: Dynamics in a modified polyamide
DOI: 10.3535/fkd-9rj-9h3
title: Lespedeza repens (L.) W.P.C.Barton

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/tt9-00b-pvb
title: Persicaria lapathifolia subsp. lapathifolia

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420385
title: Inelastic Neutron Scattering Study of defective half-Heusler Material

description: Typical Half-Heusler compounds, identified as promising high temperature thermoelectric materials due to their unexpected semiconducting nature and good thermal properties. Several HH compounds are recently found to contain high concentrations of vacancies. These vacancies exhibit some specific distributions, such as short-range ordering in Nb0.8CoSb and possible Zig-zag distribution in Eu2ZnSb2. Intriguingly, these vacancy defective compounds exhibit much lower lattice thermal conductivity than their counterparts without vacancies. Here, we synthesized a series of ZrCoSb vacancy-defective compounds that can control the degree of vacancy order and thermal conductivity without changing their composition. These defective ZrCoSb samples can be considered as a hierarchical structure of order at different length scales, short-range order in some samples and long-range order in others. However, a comprehensive understanding is missing due to the lack of an experimental measurements and analysis of lattice dynamics in those compounds. In this proposal, we want to apply neutron scattering technique to study the dynamic spectra, hence to assess the significance of vacancies in the suppression of lattice thermal conductivity.
DOI: 10.5286/isis.e.rb2420385-1
title: Inelastic Neutron Scattering Study of defective half-Heusler Material

description: Typical Half-Heusler compounds, identified as promising high temperature thermoelectric materials due to their unexpected semiconducting nature and good thermal properties. Several HH compounds are recently found to contain high concentrations of vacancies. These vacancies exhibit some specific distributions, such as short-range ordering in Nb0.8CoSb and possible Zig-zag distribution in Eu2ZnSb2. Intriguingly, these vacancy defective compounds exhibit much lower lattice thermal conductivity than their counterparts without vacancies. Here, we synthesized a series of ZrCoSb vacancy-defective compounds that can control the degree of vacancy order and thermal conductivity without changing their composition. These defective ZrCoSb samples can be considered as a hierarchical structure of order at different length scales, short-range order in some samples and long-range order in others. However, a comprehensive understanding is missing due to the lack of an experimental measurements and analysis of lattice dynamics in those compounds. In this proposal, we want to apply neutron scattering technique to study the dynamic spectra, hence to assess the significance of vacancies in the suppression of lattice thermal conductivity.
DOI: 10.5286/isis.e.rb2420525-4
title: Transferability in Moonshine

description: Transferability of interatomic potentials in molecular simulation is a core assumption upon which most forcefields are built. Yet, forcefields are often parameterised against limited experimental structural data in the condensed phase, or commonly none at all. We propose to investigate the structure of the ternary “moonshine” mixture at four compositions, performing full isotopic substitution on each of the three components. This will yield a rich dataset by which recent advances in multi-configuration simulation analysis implemented in the Dissolve software can be fully explored, with a view to forming coherent workflows for similarly large parametric studies which are anticipated to form a significant part of the SANDALS-II programme.
DOI: 10.34816/ifao.archives.232895
title: SAQQARA_nb_1994_03377

description: Référence : nb_1994_03377<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/b4m-fnm-cpd
title: Pinus monticola Douglas ex. D.Don

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2368053
title: Structural characterization of superionic sodium tungsten phosphate glasses by high-Q neutron diffraction

description: Superionic phosphate glass and crystalline samples are technologically important materials for applications as electrolytes and cathodes in energy storage devices such as supercapacitors and rechargeable batteries. Sodium tungsten phosphate system forms glassy phase samples by melt quenching technique over a wide composition range. WO3 is a conditional glass former and its incorporation in the phosphate network produces mixed short-range structural units with enhanced disorder that promotes ionic transport. Tungsten phosphate glasses contatining 2 to 20 mol %Na2O show hiigh ionic conductivity of ~ 15 mScm-1 at room temperature. The proposal aims to perform short range structural characterization of sodium tungsten phosphate glasses by high-Q neutron experiments and correlate the changes in the glass structure with its ionic conductivity as a function of Na2O concentration.
DOI: 10.5286/isis.e.rb2368053-1
title: Structural characterization of superionic sodium tungsten phosphate glasses by high-Q neutron diffraction

description: Superionic phosphate glass and crystalline samples are technologically important materials for applications as electrolytes and cathodes in energy storage devices such as supercapacitors and rechargeable batteries. Sodium tungsten phosphate system forms glassy phase samples by melt quenching technique over a wide composition range. WO3 is a conditional glass former and its incorporation in the phosphate network produces mixed short-range structural units with enhanced disorder that promotes ionic transport. Tungsten phosphate glasses contatining 2 to 20 mol %Na2O show hiigh ionic conductivity of ~ 15 mScm-1 at room temperature. The proposal aims to perform short range structural characterization of sodium tungsten phosphate glasses by high-Q neutron experiments and correlate the changes in the glass structure with its ionic conductivity as a function of Na2O concentration.
DOI: 10.3535/mwq-v64-5cp
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zk5-lte-mqn
title: Nothofagus pumilio (Poepp. & Endl.) Krasser

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410179-4
title: The impact of high pressure on the vibrational spectrum of molecular organic semiconductors

description: The van der Waals nature of organic semiconductors (OSCs) offers low cost processing while intermolecular vibrations affect their charge transport properties. By using inelastic neutron scattering and terahertz spectroscopy, combined with quantum mechanical simulations, we have characterized for the first time the full-spectrum of low-frequency motions in several OSCs, identifying the long axis sliding motion as the killer phonon mode. Within this framework, the aim of this proposal is to push our study further and investigate the impact of pressure on the vibrational spectrum present in these soft materials. This will allow us to 1) understand the impact of pressure on the thermal disorder in OSCs, 2) elucidate how the killer phonon modes are hampered as a function of molecular design and packing, 3) test if there is a critical pressure value at which killer phonon modes are affected and, 4) develop potential pressure/strain strategies to improve transport properties in these soft materials.
DOI: 10.5286/isis.e.rb2467011
title: Magnetic structure determination of the first high pressure, high entropy oxide

description: High entropy oxides (HEOs) are a family of materials with extreme configurational disorder – but how their entropic forces interact with external conditions such as high pressure remains an unexplored arena. We have succeeded in synthesising the first high pressure, high entropy oxide. The material, which forms at 15 GPa, has the nominal composition (Cr,Mn,Fe,Co,Ni)4O5, and crystallises in the orthorhombic Cmcm space group, making it one of the first non-cubic HEOs. Early characterisation shows remarkably complex magnetic order, with enigmatic features that cannot be disentangled without more advanced techniques. X-ray absorption spectroscopy shows mixed site occupancies, while confirming a trend of suppressed configurational entropy in HEOs composed of 3d transition metals. Our proposed experiment will utilise neutron powder diffraction to solve the material’s magnetic structure, and explore its evolution as a function of temperature. The chemical complexity and magnetic nature of our system makes neutron diffraction an invaluable tool to answer these pressing questions. Our results will represent a significant contribution to our understanding of the evolution of properties in HEOs, and the interactions between magnetism and disorder in complex materials.
DOI: 10.5286/isis.e.rb2467011-1
title: Magnetic structure determination of the first high pressure, high entropy oxide

description: High entropy oxides (HEOs) are a family of materials with extreme configurational disorder – but how their entropic forces interact with external conditions such as high pressure remains an unexplored arena. We have succeeded in synthesising the first high pressure, high entropy oxide. The material, which forms at 15 GPa, has the nominal composition (Cr,Mn,Fe,Co,Ni)4O5, and crystallises in the orthorhombic Cmcm space group, making it one of the first non-cubic HEOs. Early characterisation shows remarkably complex magnetic order, with enigmatic features that cannot be disentangled without more advanced techniques. X-ray absorption spectroscopy shows mixed site occupancies, while confirming a trend of suppressed configurational entropy in HEOs composed of 3d transition metals. Our proposed experiment will utilise neutron powder diffraction to solve the material’s magnetic structure, and explore its evolution as a function of temperature. The chemical complexity and magnetic nature of our system makes neutron diffraction an invaluable tool to answer these pressing questions. Our results will represent a significant contribution to our understanding of the evolution of properties in HEOs, and the interactions between magnetism and disorder in complex materials.
DOI: 10.5286/isis.e.rb2490183-1
title: Limit of Detection - MAPS Part
DOI: 10.34816/ifao.archives.232896
title: SAQQARA_nb_1994_03378

description: Référence : nb_1994_03378<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/jff-dpl-f2a
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/x6q-qdd-rae
title: Argentina anserina subsp. anserina

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2270006-1
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.rb2270019-2
title: Effects of oxygen distributions to magnetic properties of nanoparticle La2CuO4

description: The long-range magnetic transition temperature of La2CuO4 (LCO) was found to be strongly suppressed by reducing the particle size down to the nanometer scale. We also revealed from our previous muSR study that a clear phase separation into long-range and short-range ordered states appeared in nanoparticle LCO. We suggest that reason of the phase separation was due to the existence of oxygen distributions between the two phases. On the other hand, magnetic properties measured by SQUID on nanoparticle LCO's which were annealed in different atmosphere gas conditions did not show large differences. We are guessing that this unchanged magnetic property is a new possible character of the nano-size effect on LCO. Accordingly, we propose to measure changes in TN of systematically annealed nanoparticle LCO to investigate effects of oxygen distribution to magnetic properties of nanoparticle LCO.
DOI: 10.34816/ifao.archives.232897
title: SAQQARA_nb_1994_03379

description: Référence : nb_1994_03379<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/ndd-3jv-7l5
title: Dalea candida Willd.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ymx-gzr-f1x
title: Dalea purpurea Vent.

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