cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3535/lp4-ae9-tzc
title: Racomitrium lanuginosum (Hedw.) Brid.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410726-1
title: RNA modification via novel fluorescent base analogues: Effect on the structure of RNA-containing lipid nanoparticles and their sub-populations

description: Nucleic acid-based therapies are a rapidly expanding field. To study delivery and performance of nucleic acids in cells, they must often be fluorescently labelled, usually by attaching large fluorescent dyes. However, this can significantly perturb the nucleic acid’s biological functions and structural integrity. To address this, the Wilhelmsson group has developed chemically modified nucleic acid building blocks which are inherently fluorescent, so-called “fluorescent base analogues”. These can be efficiently incorporated into RNA which closely mimics the behaviour of the native RNA, and can be translated to proteins within cells. 
LNPs are enormously successful mRNA delivery vectors, but relationships between their structure and function are not yet well understood. To leverage the benefits of fluorescent base analogue labeled RNA to explore critical questions in the field (e.g. how cargo is released from LNPs), the effect of incorporating these novel labelled RNAs on LNP structure needs to be validated. In this experiment, we characterise the structures of LNPs loaded with fluorescent base analogue labeled RNA, and compare them to LNPs loaded with unlabeled and conventionally labeled RNA. We will also characterise sub-populations within these LNP formulations, separated using AF4. The results will deepen our understanding of the impact of fluorescent labelling strategies on LNP architecture, and mark a pivotal step forward in correlating LNP structure to performance.
DOI: 10.5286/isis.e.rb2420399
title: Comparing cushions for improved model thylakoid membranes at the electrode surface

description: In this proposal, we will build on previous successful experiments demonstrating the potential-dependent deposition of model photosynthetic thylakoid membranes onto electrode surfaces; here, we aim to improve the conservation of the natural structure at the interface by preconditioning the electrode with a range of suitable cushioning layers that may also encourage bilayer fusion. Using our bespoke neutron reflectometry/spectroelectrochemistry measurement cell, we will be able to directly couple the structural effects observed to the measured photocurrent and hence determine the best strategy for modelling these systems.
DOI: 10.5286/isis.e.rb2420399-1
title: Comparing cushions for improved model thylakoid membranes at the electrode surface

description: In this proposal, we will build on previous successful experiments demonstrating the potential-dependent deposition of model photosynthetic thylakoid membranes onto electrode surfaces; here, we aim to improve the conservation of the natural structure at the interface by preconditioning the electrode with a range of suitable cushioning layers that may also encourage bilayer fusion. Using our bespoke neutron reflectometry/spectroelectrochemistry measurement cell, we will be able to directly couple the structural effects observed to the measured photocurrent and hence determine the best strategy for modelling these systems.
DOI: 10.3535/b7t-xbg-7ff
title: Lopidium concinnum (Hook.) Wilson

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/e1p-qvs-drw
title: Lepyrodon hexastichus (Mont.) Wijk & Margad.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410726
title: RNA modification via novel fluorescent base analogues: Effect on the structure of RNA-containing lipid nanoparticles and their sub-populations

description: Nucleic acid-based therapies are a rapidly expanding field. To study delivery and performance of nucleic acids in cells, they must often be fluorescently labelled, usually by attaching large fluorescent dyes. However, this can significantly perturb the nucleic acid’s biological functions and structural integrity. To address this, the Wilhelmsson group has developed chemically modified nucleic acid building blocks which are inherently fluorescent, so-called “fluorescent base analogues”. These can be efficiently incorporated into RNA which closely mimics the behaviour of the native RNA, and can be translated to proteins within cells. 
LNPs are enormously successful mRNA delivery vectors, but relationships between their structure and function are not yet well understood. To leverage the benefits of fluorescent base analogue labeled RNA to explore critical questions in the field (e.g. how cargo is released from LNPs), the effect of incorporating these novel labelled RNAs on LNP structure needs to be validated. In this experiment, we characterise the structures of LNPs loaded with fluorescent base analogue labeled RNA, and compare them to LNPs loaded with unlabeled and conventionally labeled RNA. We will also characterise sub-populations within these LNP formulations, separated using AF4. The results will deepen our understanding of the impact of fluorescent labelling strategies on LNP architecture, and mark a pivotal step forward in correlating LNP structure to performance.
DOI: 10.5286/isis.e.rb2420273-1
title: UNDERSTANDING THE EFFECT OF BALL MILLING PRETREATMENT ON THE SURFACE FUNCTIONALITY OF BIOCHAR CATALYSTS - MAPS

description: Macroporous and mesoporous materials such as biochar (BCR) has proven favorable as the relatively larger pores can improve molecular diffusion for the large molecules and their surface functional groups are easily tuned for interaction with various substrates. Our previous INS study of raw BCR show that the material has a slightly higher population of aromatic components than aliphatic compounds. The CH–OH ratio in the raw BCR is ~5, showing that the hydroxyl functional groups are a minority species. C–H stretch modes are the majority species with a ratio of sp3–CH:sp2–CH of 1:1.3. We now wish to understand the effect of pretreatment of BCR on their surface functionality, in particular via the ball milling pretreatment technique as it is considered a promising cost effective alternative method of producing materials with greater surface characteristics. Two types of BCR from different feedstock will be used - palm oil empty fruit bunch and coconut shell waste. Samples pretreated using conventional acid pretreatment will also be carried out. The comparison of BCR from different feedstock and pretreatment techniques will aid the understanding of the correlation between the targeted pretreatment conditions and structure characteristics of BCR before use for catalytic purposes.
DOI: 10.34816/ifao.archives.232913
title: SAQQARA_nb_1994_05967

description: Référence : nb_1994_05967<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/6pn-8cv-1eg
title: Weymouthia mollis (Hedw.) Broth.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420273
title: UNDERSTANDING THE EFFECT OF BALL MILLING PRETREATMENT ON THE SURFACE FUNCTIONALITY OF BIOCHAR CATALYSTS - MAPS

description: Macroporous and mesoporous materials such as biochar (BCR) has proven favorable as the relatively larger pores can improve molecular diffusion for the large molecules and their surface functional groups are easily tuned for interaction with various substrates. Our previous INS study of raw BCR show that the material has a slightly higher population of aromatic components than aliphatic compounds. The CH–OH ratio in the raw BCR is ~5, showing that the hydroxyl functional groups are a minority species. C–H stretch modes are the majority species with a ratio of sp3–CH:sp2–CH of 1:1.3. We now wish to understand the effect of pretreatment of BCR on their surface functionality, in particular via the ball milling pretreatment technique as it is considered a promising cost effective alternative method of producing materials with greater surface characteristics. Two types of BCR from different feedstock will be used - palm oil empty fruit bunch and coconut shell waste. Samples pretreated using conventional acid pretreatment will also be carried out. The comparison of BCR from different feedstock and pretreatment techniques will aid the understanding of the correlation between the targeted pretreatment conditions and structure characteristics of BCR before use for catalytic purposes.
DOI: 10.5286/isis.e.rb2420355
title: Inhibition of alkali-silica reaction using tetraethyl orthosilicate silane (TEOS28 and TEOS40) for hardened cement-based materials

description: The alkali-silica reaction (ASR) is one of the main deleterious processes that affects concrete structures around the world. When it comes to the durability of large-scale projects, such as hydroelectric plants, predicting the performance of aggregates and materials throughout their useful life becomes an important factor.In recent decades, the use of surface treatments has become a good option among existing materials to help minimize the impacts of the alkali-aggregate reaction (AAR). Applications of silanes/siloxanes in real structures, diagnosed with alkali-aggregate reaction, have already yielded positive results from the point of view of reducing expansion kinetics. The use of inorganic materials with certain hydrophobic properties related to the crystallization of hydrated products, such as ethyl silicate, has aroused greater interest due to the entry of aggressive agents, such as chlorides and sulfates. We propose to characterize the impact of adding TEOS to cement paste. This characterization will contribute to the study of the control mechanisms of concrete expansion. Therefore, the objective of this study is to evaluate the effectiveness of two TEOS-based products containing different compositions of SiO2, through the analysis of hydration data from cement components using the quasiellastic and inelastic neutron scattering technique.
DOI: 10.5286/isis.e.rb2420355-1
title: Inhibition of alkali-silica reaction using tetraethyl orthosilicate silane (TEOS28 and TEOS40) for hardened cement-based materials

description: The alkali-silica reaction (ASR) is one of the main deleterious processes that affects concrete structures around the world. When it comes to the durability of large-scale projects, such as hydroelectric plants, predicting the performance of aggregates and materials throughout their useful life becomes an important factor.In recent decades, the use of surface treatments has become a good option among existing materials to help minimize the impacts of the alkali-aggregate reaction (AAR). Applications of silanes/siloxanes in real structures, diagnosed with alkali-aggregate reaction, have already yielded positive results from the point of view of reducing expansion kinetics. The use of inorganic materials with certain hydrophobic properties related to the crystallization of hydrated products, such as ethyl silicate, has aroused greater interest due to the entry of aggressive agents, such as chlorides and sulfates. We propose to characterize the impact of adding TEOS to cement paste. This characterization will contribute to the study of the control mechanisms of concrete expansion. Therefore, the objective of this study is to evaluate the effectiveness of two TEOS-based products containing different compositions of SiO2, through the analysis of hydration data from cement components using the quasiellastic and inelastic neutron scattering technique.
DOI: 10.3535/2nr-z7p-ahb
title: Trifolium Tourn. ex L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/m7a-xcc-19m
title: Hymenodontopsis mnioides (Hook.) N.E. Bell, A.E. Newton & D. Quandt

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220561-4
title: Competing inter-molecular interactions in sulfur containing systems: SH vs OH

description: SH groups are the constituents of proteins, amino acids and other biomolecules and their role in solution is central for many biological processes such as protein folding, molecular recognition and protein three-dimensional stability. By contrast with oxygen, sulfur exhibits lower electronegativity and increased polarizability which manifest as different trends of inter-molecular interactions. The ability of sulfur to hydrogen bond has been known for long time but a full understanding of the nature, directionality and strength of these bonding motifs is still lacking. This proposal will investigate the competition among fundamental interactions involving SH groups in solution and will answer fundamental questions about the role of sulfur in hydrogen bonding stability.
DOI: 10.5286/isis.e.rb2420476
title: Quasi-elastic neutron scattering of thermoresponsive surfactant vesicles

description: In this work, we will explore how vesicle dynamics change in response to different salt and temperature conditions. This will be achieved by preparing various aqueous solutions of a specially synthesised zwitterionic surfactant molecule - oleyl amidopropyl betaine (OAPB) - in predetermined ratios with the well-known anionic surfactant, aerosol-OT (AOT). We then will measure the dynamics and calculate mean square displacement as a function of salt concentration and temperature using quasi-elastic neutron scattering (QENS), to determine changes in conformational entropy, diffusion and flexibility (using MSD).5 This study will expand on our recent published work in the structure of the vesicles using SANS@ANSTO, and will allow us to understand the structure-dynamics correlation in these systems. We will also utilise deuterated constituents of OAPB and AOT (already provided by the National Deuteration Facility (NDF) at ANSTO) to elucidate individual contributions of molecules to the overall dynamics.
DOI: 10.5286/isis.e.rb2420476-1
title: Quasi-elastic neutron scattering of thermoresponsive surfactant vesicles

description: In this work, we will explore how vesicle dynamics change in response to different salt and temperature conditions. This will be achieved by preparing various aqueous solutions of a specially synthesised zwitterionic surfactant molecule - oleyl amidopropyl betaine (OAPB) - in predetermined ratios with the well-known anionic surfactant, aerosol-OT (AOT). We then will measure the dynamics and calculate mean square displacement as a function of salt concentration and temperature using quasi-elastic neutron scattering (QENS), to determine changes in conformational entropy, diffusion and flexibility (using MSD).5 This study will expand on our recent published work in the structure of the vesicles using SANS@ANSTO, and will allow us to understand the structure-dynamics correlation in these systems. We will also utilise deuterated constituents of OAPB and AOT (already provided by the National Deuteration Facility (NDF) at ANSTO) to elucidate individual contributions of molecules to the overall dynamics.
DOI: 10.21233/n3jr43
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.232914
title: SAQQARA_nb_1994_05968

description: Référence : nb_1994_05968<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/jjg-0qq-pz5
title: Amphicarpaea bracteata (L.) Fernald

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/s6s-edq-vmq
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2420307-1
title: Pore-Opening of Zeolitic Imidazolate Framework COK-17 under Nitrogen Pressure: Study Using Inelastic Neutron Scattering

description: Flexible Zeolitic Imidazolate Frameworks (ZIF) are unique in a sense that their pore aperture can be regulated using the applied gas pressure. Utilizing this phenomenon, a single ZIF can be used selective for different gases depending on the applied gas pressure and gas-type. In order to understand the flexibility of ZIFs at molecular level, different techniques are being utilized. Inelastic neutron scattering has shown that linker rotation under gas pressure causes the pore-aperture opening in methylimidazolate based frameworks. On the other hand, X-ray diffraction based studies have shown that lattice deformation under gas pressure cause the pore-aperture tuning. In this regard, we propose to investigate the flexibility of a recently reported ZIF i.e. COK-17 using INS under N2 gas pressure. The COK-17 has shown very high gas separation selectivity attributed to its pore-aperture tuning under gas pressure.
DOI: 10.5286/isis.e.rb2420411
title: Rationally Designed Cationic Peptides Effect on Mimicry Bilayer of Bacteria Membrane

description: This NR experiment proposes to determine how a group of membrane-permeating peptides interact with the lipid bilayer mimicking bacterial membranes. The peptides were designed by mimicking the disordered region of a Dengue viral capsid protein. As this is the first NR study, we request 3 days of INTER time to examine how the native and designed peptides bind to the model bilayer that mimics bacterial membranes with different charges and that also allows us to compare with the outer membrane of human red blood cells with different structures and charges. This study has the potential to offer valuable insights into the impact of peptide sequences on membrane disruptions in future NR experiments.
DOI: 10.5286/isis.e.rb2420411-1
title: Rationally Designed Cationic Peptides Effect on Mimicry Bilayer of Bacteria Membrane

description: This NR experiment proposes to determine how a group of membrane-permeating peptides interact with the lipid bilayer mimicking bacterial membranes. The peptides were designed by mimicking the disordered region of a Dengue viral capsid protein. As this is the first NR study, we request 3 days of INTER time to examine how the native and designed peptides bind to the model bilayer that mimics bacterial membranes with different charges and that also allows us to compare with the outer membrane of human red blood cells with different structures and charges. This study has the potential to offer valuable insights into the impact of peptide sequences on membrane disruptions in future NR experiments.
DOI: 10.3535/tcg-tca-s9l
title: Glycyrrhiza lepidota Pursh

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2410724
title: Discrete breathers in barocaloric ammonium salts

description: Barocaloric materials, which can be cycled between high- and low-entropy phases by applying pressure, provide an important, environmentally friendly alternative to vapour-compression refrigeration. However, a far greater understanding of the structural origins of the entropy change is needed in order to systematically improve these materials’ properties to the point of commercial value. One unexplored route to increasing the entropy is to take advantage of “discrete breathers”, intrinsically localised modes that can form as the result of anharmonic interactions between the molecular components of a crystal. Here we propose a detailed exploration of these modes in a simple barocaloric, ND4I, in which they have been theoretically predicted but never experimentally observed. Our results will demonstrate whether these modes can be used as a design tool for entropic materials. We will further compare them against molecular simulations as part of a wider ISIS-funded PhD project on molecular modelling of inelastic and quasielastic scattering data.
DOI: 10.5286/isis.e.rb2410724-1
title: Discrete breathers in barocaloric ammonium salts

description: Barocaloric materials, which can be cycled between high- and low-entropy phases by applying pressure, provide an important, environmentally friendly alternative to vapour-compression refrigeration. However, a far greater understanding of the structural origins of the entropy change is needed in order to systematically improve these materials’ properties to the point of commercial value. One unexplored route to increasing the entropy is to take advantage of “discrete breathers”, intrinsically localised modes that can form as the result of anharmonic interactions between the molecular components of a crystal. Here we propose a detailed exploration of these modes in a simple barocaloric, ND4I, in which they have been theoretically predicted but never experimentally observed. Our results will demonstrate whether these modes can be used as a design tool for entropic materials. We will further compare them against molecular simulations as part of a wider ISIS-funded PhD project on molecular modelling of inelastic and quasielastic scattering data.
DOI: 10.5286/isis.e.rb2420307
title: Pore-Opening of Zeolitic Imidazolate Framework COK-17 under Nitrogen Pressure: Study Using Inelastic Neutron Scattering

description: Flexible Zeolitic Imidazolate Frameworks (ZIF) are unique in a sense that their pore aperture can be regulated using the applied gas pressure. Utilizing this phenomenon, a single ZIF can be used selective for different gases depending on the applied gas pressure and gas-type. In order to understand the flexibility of ZIFs at molecular level, different techniques are being utilized. Inelastic neutron scattering has shown that linker rotation under gas pressure causes the pore-aperture opening in methylimidazolate based frameworks. On the other hand, X-ray diffraction based studies have shown that lattice deformation under gas pressure cause the pore-aperture tuning. In this regard, we propose to investigate the flexibility of a recently reported ZIF i.e. COK-17 using INS under N2 gas pressure. The COK-17 has shown very high gas separation selectivity attributed to its pore-aperture tuning under gas pressure.
DOI: 10.3535/ek2-dhe-42b
title: Dysphania botrys (L.) Mosyakin & Clemants

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/y5x-v9m-q6t
title: Arbusculohypopterygium arbuscula (Brid.) M. Stech, T. Pfeiff. & W. Frey

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