cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2210188
title: CELLULAR DYNAMICS AS A MARKER OF NORMAL-TO-CANCER TRANSFORMATION

description: Normal to cancer transition (NTC), an ill understood process, has been shown to be closely associated to cell´s biomechanical properties which are dependant on the dynamical profile of the intracellular medium.Previous QENS experiments performed by the applicants to monitor the impact of drugs on the cytomatrix of cancer cells, as well as the influence of intracellular water dynamics on NTC transformation, evidenced the suitability of this approach for unveiling particular dynamical features of malignancy and achieving a better understanding of the NTC transition. The present proposal aims to extend these QENS studies to distinct types of human cancers, by using the unique capabilities of LET for QENS studies in order to help us characterise the different dynamical processes taking place within the heterogeneous cellular systems and how they change between healthy and malignant cells.
DOI: 10.5286/isis.e.rb2210315
title: The role of hydrophobicity in cell penetration and gene delivery by cationic copolymers

description: Non-viral gene delivery provides potential for a broad range of biomedical innovations, from vaccines to agriculture. However, there remains a need for efficient, non-toxic delivery agents that can enter cells and deliver genetic material. We have developed positively charged block copolymers that are able bind nucleic acids, forming so-called polyplexes. Through modification of the polymer hydrophobicity, we have been able to tune the cell-penetrating behaviour of these polymers and enhance their ability to reversibly bind RNA to function as effective gene delivery vectors. Here, we propose to use neutron reflectometry to structurally investigate the role of hydrophobicity on the interaction of these compounds with models of the eukaryotic cell membrane, and their ability to deposit genetic material. This will further the design of next-generation non-viral gene delivery vectors.
DOI: 10.5286/isis.e.rb2210315-1
title: The role of hydrophobicity in cell penetration and gene delivery by cationic copolymers

description: Non-viral gene delivery provides potential for a broad range of biomedical innovations, from vaccines to agriculture. However, there remains a need for efficient, non-toxic delivery agents that can enter cells and deliver genetic material. We have developed positively charged block copolymers that are able bind nucleic acids, forming so-called polyplexes. Through modification of the polymer hydrophobicity, we have been able to tune the cell-penetrating behaviour of these polymers and enhance their ability to reversibly bind RNA to function as effective gene delivery vectors. Here, we propose to use neutron reflectometry to structurally investigate the role of hydrophobicity on the interaction of these compounds with models of the eukaryotic cell membrane, and their ability to deposit genetic material. This will further the design of next-generation non-viral gene delivery vectors.
DOI: 10.3535/5w2-xcj-v8d
title: Dactylis glomerata subsp. glomerata

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/a6v-g0d-sh7
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210187-1
title: The Early Stages of Zeolite Formation from Gels to Crystals Followed by Neutron Scattering

description: The formation mechanisms of solids with extended structures remain poorly understood but are of increasing importance for ‘design’ of new materials in many fields. This is a pressing need given the range of solid-state materials for many contemporary areas of relevance to energy (batteries, fuel cells, photovoltaics), the environment (pollutant adsorbents), green manufacture of chemicals (catalysts) and electronics (dielectrics, magnetics and optical materials). The need to understand crystallisation is greater than ever: to guide the preparation of optimised materials tuned for application, and discovery of new phases. Here, we will use a new in situ reaction cell to follow the formation of adsorbent materials to track their assembly from chemicals to crystals. Neutrons are highly penetrating to ‘see’ inside a reaction vessel and are also sensitive to the location and role of water.
DOI: 10.5286/isis.e.rb2210232
title: Hierarchical structuring of cerium oxide nanoparticles driven by amphiphilic coating.

description: In recent years, the controlled clustering of NPs building blocks into defined geometric arrangements opens a new research area in soft materials with original physico-chemical properties. NP clusters not only allow the combination of properties of individual NPs but also takes advantage of the interactions between neighboring NPs which can result in new properties. Here, a button-up approach led to clusters of coated cerium oxide nanoparticles (CeO2-NPs) dispersed in water. Through hydrophobic interactions between the alkyl chains of organic coating, aggregates can be obtained with a more or less complex order, passing from faces cubic structures or body-centered cubic structures to Frank-Kasper phases. The aim of this project is to understand how the ratio between the inorganic core radius and alkyl chain length influences the hierarchical organization of CeO2-NPs.
DOI: 10.5286/isis.e.rb2210232-1
title: Hierarchical structuring of cerium oxide nanoparticles driven by amphiphilic coating.

description: In recent years, the controlled clustering of NPs building blocks into defined geometric arrangements opens a new research area in soft materials with original physico-chemical properties. NP clusters not only allow the combination of properties of individual NPs but also takes advantage of the interactions between neighboring NPs which can result in new properties. Here, a button-up approach led to clusters of coated cerium oxide nanoparticles (CeO2-NPs) dispersed in water. Through hydrophobic interactions between the alkyl chains of organic coating, aggregates can be obtained with a more or less complex order, passing from faces cubic structures or body-centered cubic structures to Frank-Kasper phases. The aim of this project is to understand how the ratio between the inorganic core radius and alkyl chain length influences the hierarchical organization of CeO2-NPs.
DOI: 10.3535/4lg-cz3-1r4
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/pw8-j93-j7b
title: Calyptridium monandrum Nutt.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210058-1
title: Nanostructure of phosphonium orthoborate ionic liquids for lubrication

description: We have developed a class of phosphonium-orthoborate ionic liquids (ILs) with exceptional lubricative properties, both in their pure state and when mixed with a model base oil (propylene carbonate or 2-ethylhexyl laurate). These systems were studied extensively at the interface, showing significant interfacial adsorption and structuring, and concentration-dependent electroresponsivity. In this proposal, we aim to correlate these properties with the bulk nanostructure using Small-angle Neutron Scattering (SANS). ILs often have persistent domain structure in the bulk and isotopic contrast variation will be used to elucidate this. The existence of ordered domains within the IL may affect the lubricity through interactions with the adsorbed layer. We hope to observe this nanostructure to expand the depth of our interfacial studies into the bulk.
DOI: 10.5286/isis.e.rb2210187
title: The Early Stages of Zeolite Formation from Gels to Crystals Followed by Neutron Scattering

description: The formation mechanisms of solids with extended structures remain poorly understood but are of increasing importance for ‘design’ of new materials in many fields. This is a pressing need given the range of solid-state materials for many contemporary areas of relevance to energy (batteries, fuel cells, photovoltaics), the environment (pollutant adsorbents), green manufacture of chemicals (catalysts) and electronics (dielectrics, magnetics and optical materials). The need to understand crystallisation is greater than ever: to guide the preparation of optimised materials tuned for application, and discovery of new phases. Here, we will use a new in situ reaction cell to follow the formation of adsorbent materials to track their assembly from chemicals to crystals. Neutrons are highly penetrating to ‘see’ inside a reaction vessel and are also sensitive to the location and role of water.
DOI: 10.3535/gty-epe-86k
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zb7-v7p-ht4
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210047
title: High-field magnetic states of a novel distorted triangular antiferromagnet

description: The magnetic phase diagram of distorted triangular lattice antiferromagnets is often populated by exotic quantum states, e.g. two-dimensional incommensurate spin-density waves and frustration-induced magnetization plateaux. Theoretical predictions of spin-density waves in triangular systems exist, but experimental realizations still lack. Plateau states are quite rare, or inaccessible due to the high magnetic field required. The novel triangular lattice system Cs2CoBr4 hosts both these field-induced states and two additional unknown phases, all accessible at convenient magnetic fields &lt; 6 T. Our goal is to determine the magnetic structure of the unknown states and complete our understanding of this exotic quantum magnet. The experiment will also expand our knowledge of ordered states supported by frustrated antiferromagnets on triangular lattices close to saturation.
DOI: 10.5286/isis.e.rb2210047-1
title: High-field magnetic states of a novel distorted triangular antiferromagnet

description: The magnetic phase diagram of distorted triangular lattice antiferromagnets is often populated by exotic quantum states, e.g. two-dimensional incommensurate spin-density waves and frustration-induced magnetization plateaux. Theoretical predictions of spin-density waves in triangular systems exist, but experimental realizations still lack. Plateau states are quite rare, or inaccessible due to the high magnetic field required. The novel triangular lattice system Cs2CoBr4 hosts both these field-induced states and two additional unknown phases, all accessible at convenient magnetic fields &lt; 6 T. Our goal is to determine the magnetic structure of the unknown states and complete our understanding of this exotic quantum magnet. The experiment will also expand our knowledge of ordered states supported by frustrated antiferromagnets on triangular lattices close to saturation.
DOI: 10.5286/isis.e.rb2210058
title: Nanostructure of phosphonium orthoborate ionic liquids for lubrication

description: We have developed a class of phosphonium-orthoborate ionic liquids (ILs) with exceptional lubricative properties, both in their pure state and when mixed with a model base oil (propylene carbonate or 2-ethylhexyl laurate). These systems were studied extensively at the interface, showing significant interfacial adsorption and structuring, and concentration-dependent electroresponsivity. In this proposal, we aim to correlate these properties with the bulk nanostructure using Small-angle Neutron Scattering (SANS). ILs often have persistent domain structure in the bulk and isotopic contrast variation will be used to elucidate this. The existence of ordered domains within the IL may affect the lubricity through interactions with the adsorbed layer. We hope to observe this nanostructure to expand the depth of our interfacial studies into the bulk.
DOI: 10.5286/isis.e.rb2210146-1
title: Magnetic-field induced quantum phases in a magnetically frustrated Yb-zigzag chain system YbCuS2

description: In a Yb-based semiconductor YbCuS2, where trivalent Yb ions form a low-dimensional zigzag chain, the competitive AFM interactions enhance magnetic fluctuations due to the magnetic frustration. A phase transition occurs at TO = 0.95 K, where the magnetic entropy is reduced to 20% of Rln2. TO is robust for B &lt; 4 T, and TO increases to higher temperatures but decreases for B &gt; 7 T. The peculiar phase diagram suggests manifestation of magnetic-field induced quantum phases. Magnetic reflections were observed below TO by powder neutron diffraction experiments at WISH. The magnetic structure is characterized by an incommensurate propagation vector and the ordered moment is reduced. The aim of the present experiment is to investigate evolution of the order parameters and possible magnetic structures in the magnetic-field induced phases by the neutron diffraction measurements on WISH.
DOI: 10.3535/yg7-awj-fcz
title: Catabrosa aquatica (L.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210087
title: The role of hydrogen bonding for the formation of cation dimers in carboxy-functionalized ionic liquids

description: The properties of ionic liquids (ILs) are governed by a subtle balance of Coulomb interactions, dispersion forces and hydrogen bonding. The latter has a particularly significant influence on the behaviour of those substances and can be divided into two main types: One occuring between a cation and an anion and another between ions of like-charge. In ILs, the hydrogen bonding between cations might not appear to be important. However, structural motifs involving hydrogen-bonded cation clusters were observed in the bulk liquid phase. In this study, we want to analyse the carboxy-functionalized IL N-carboxymethylpyridinium bis(trifluoromethanesulfonyl)azanide, which forms doubly hydrogen-bonded cation dimers already in the solid state. We ask whether this particularly strong hydrogen bond motif between ions of like-charge remains upon melting and how it behaves with increasing temperature.
DOI: 10.5286/isis.e.rb2210087-1
title: The role of hydrogen bonding for the formation of cation dimers in carboxy-functionalized ionic liquids

description: The properties of ionic liquids (ILs) are governed by a subtle balance of Coulomb interactions, dispersion forces and hydrogen bonding. The latter has a particularly significant influence on the behaviour of those substances and can be divided into two main types: One occuring between a cation and an anion and another between ions of like-charge. In ILs, the hydrogen bonding between cations might not appear to be important. However, structural motifs involving hydrogen-bonded cation clusters were observed in the bulk liquid phase. In this study, we want to analyse the carboxy-functionalized IL N-carboxymethylpyridinium bis(trifluoromethanesulfonyl)azanide, which forms doubly hydrogen-bonded cation dimers already in the solid state. We ask whether this particularly strong hydrogen bond motif between ions of like-charge remains upon melting and how it behaves with increasing temperature.
DOI: 10.5286/isis.e.rb2210146
title: Magnetic-field induced quantum phases in a magnetically frustrated Yb-zigzag chain system YbCuS2

description: In a Yb-based semiconductor YbCuS2, where trivalent Yb ions form a low-dimensional zigzag chain, the competitive AFM interactions enhance magnetic fluctuations due to the magnetic frustration. A phase transition occurs at TO = 0.95 K, where the magnetic entropy is reduced to 20% of Rln2. TO is robust for B &lt; 4 T, and TO increases to higher temperatures but decreases for B &gt; 7 T. The peculiar phase diagram suggests manifestation of magnetic-field induced quantum phases. Magnetic reflections were observed below TO by powder neutron diffraction experiments at WISH. The magnetic structure is characterized by an incommensurate propagation vector and the ordered moment is reduced. The aim of the present experiment is to investigate evolution of the order parameters and possible magnetic structures in the magnetic-field induced phases by the neutron diffraction measurements on WISH.
DOI: 10.3535/3pc-exb-3dw
title: Rhodostemonodaphne avilensis Madriñán

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/z6k-dqf-7m5
title: Humulus lupulus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210124-1
title: Building a structural and functional model of the complex between the small lipidated GTPase Arf1 and its ArfGAP, ASAP1.

description: Most cell membrane signaling and trafficking are regulated by assembling dynamic signaling platforms associated with cell membrane surfaces in lipid and time-dependent fashion. This project focuses on mapping the interaction between ASAP1, a multidomain ArfGAP protein that correlates with poor prognosis in several cancers, with its substrate Arf1. We will use neutron reflectometry and model membranes. We recently combined NMR, NR, and MD to elucidate the membrane docking geometry and the fundamental interactions of the ASAP1 PH domain in the absence of Arf1 (O. Soubias et al. Sci. Adv. 30(6), 2020). We further characterized Arf1 on its own (manuscript in preparation). This work is a continuation of this project towards resolving the structure of the Arf1/PH complex at the membrane.
DOI: 10.5286/isis.e.rb2210350
title: Understanding the structure and phytochemical loading of bile salt containing liposomes

description: The information about the morphology of colloidal systems plays an essential role in controlling the biological fate and bioavailability of cargo loaded systems in the gastrointestinal tract. Recently there has been interest in the incorporation of bile salts (BSs) into phospholipid vesicles to enhance the bioavailability of phytochemicals with the modification of the structure. BSs containing systems are already utilized in the pharmaceutical industry as a delivery vehicles, however, they have not been employed for the encapsulation of phytochemicals in the food industry.Resveratrol (as a model phytochemical) loaded phospholipid/BSs system will be used to investigate structures and interactions, controlling the fate of the system in the gastrointestinal tract, and explore the adaptability of the system into the food formulations.
DOI: 10.5286/isis.e.rb2210350-1
title: Understanding the structure and phytochemical loading of bile salt containing liposomes

description: The information about the morphology of colloidal systems plays an essential role in controlling the biological fate and bioavailability of cargo loaded systems in the gastrointestinal tract. Recently there has been interest in the incorporation of bile salts (BSs) into phospholipid vesicles to enhance the bioavailability of phytochemicals with the modification of the structure. BSs containing systems are already utilized in the pharmaceutical industry as a delivery vehicles, however, they have not been employed for the encapsulation of phytochemicals in the food industry.Resveratrol (as a model phytochemical) loaded phospholipid/BSs system will be used to investigate structures and interactions, controlling the fate of the system in the gastrointestinal tract, and explore the adaptability of the system into the food formulations.
DOI: 10.3535/543-ghb-drh
title: Bothriochloa ischaemum (L.) Keng

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xa0-m3b-wr5
title: Crepis biennis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210124
title: Building a structural and functional model of the complex between the small lipidated GTPase Arf1 and its ArfGAP, ASAP1.

description: Most cell membrane signaling and trafficking are regulated by assembling dynamic signaling platforms associated with cell membrane surfaces in lipid and time-dependent fashion. This project focuses on mapping the interaction between ASAP1, a multidomain ArfGAP protein that correlates with poor prognosis in several cancers, with its substrate Arf1. We will use neutron reflectometry and model membranes. We recently combined NMR, NR, and MD to elucidate the membrane docking geometry and the fundamental interactions of the ASAP1 PH domain in the absence of Arf1 (O. Soubias et al. Sci. Adv. 30(6), 2020). We further characterized Arf1 on its own (manuscript in preparation). This work is a continuation of this project towards resolving the structure of the Arf1/PH complex at the membrane.
DOI: 10.5286/isis.e.rb2210267-1
title: On the interaction of the lipopolysaccharide-specific LA27 aptamer and asymmetric lipid bilayers mimicking the external bacterial membrane.

description: Aptamers are single-stranded nucleic acid molecules that bind target molecules with a high affinity and specificity, favoring their detection. Different aptamers are used in the detection of lipopolysaccharides (LPS). The most widely used is the B2 aptamer, while various truncated forms of different length were analyzed. The LA27 variant showed a doubled binding affinity with respect to the parent aptamer, thus offering an LBA ultrasensitive and selective detection of LPS endotoxin. The portion of LPS molecule interacting with LA27 was not understood yet. Any clear information on the affinity of the LA27 aptamer with respect to LPS molecules deriving from different kind of Gram(-) bacteria was investigated yet. In this context, we are interested in understanding the interaction between LA27 and LPS-containing asymmetric lipid bilayers as mimics of the external bacterial membrane.
DOI: 10.3535/efe-vwd-bw4
title: Campanula glomerata subsp. glomerata

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2210267
title: On the interaction of the lipopolysaccharide-specific LA27 aptamer and asymmetric lipid bilayers mimicking the external bacterial membrane.

description: Aptamers are single-stranded nucleic acid molecules that bind target molecules with a high affinity and specificity, favoring their detection. Different aptamers are used in the detection of lipopolysaccharides (LPS). The most widely used is the B2 aptamer, while various truncated forms of different length were analyzed. The LA27 variant showed a doubled binding affinity with respect to the parent aptamer, thus offering an LBA ultrasensitive and selective detection of LPS endotoxin. The portion of LPS molecule interacting with LA27 was not understood yet. Any clear information on the affinity of the LA27 aptamer with respect to LPS molecules deriving from different kind of Gram(-) bacteria was investigated yet. In this context, we are interested in understanding the interaction between LA27 and LPS-containing asymmetric lipid bilayers as mimics of the external bacterial membrane.
DOI: 10.5286/isis.e.rb2210323
title: Laue Diffraction of Single-crystalline Graphite Intercalation Compounds

description: We propose to use neutron scattering to study the crystal structures of a group of intercalated layered materials, i.e. graphite intercalation compounds (GIC). Via a task-specific synthesis approach, these GIC crystals show high single crystallinity and interesting quantum phenomena (i.e. monolayer-behaving bulk materials with superlattice modulation). Of particular note is that the intercalants are made of light elements, making neutron scattering the most suitable tool for studying their spatial ordering, whereas X-ray diffraction techniques are not as capable of fully resolving the lattice formed by the light elements. The neutron scattering results are critical to understanding the observed quantum phenomena by computational methods. We expect that the results from the this study could provide new insights on synthesizing and understanding monolayer-behaving bulk materials.