cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2510641-1
title: Establishing structure-function relationships in semiconducting polymer-surfactant nanoparticle blends

description: Semiconducting polymer nanoparticles (SPNs) have been widely investigated for applications in biosensing, biological imaging, cancer therapeutics due to their unique optoelectronic properties. Due to the inherent hydrophobicity of many common SPNs, surfactants are often co-precipitated with polymer to increase colloidal stability, reduce biofouling and add functional elements. While some trends in surfactant choice and preparation methods can be correlated with optical performance and hydrodynamic size of these SPN systems, little is known about the impact these design choices have on structure and morphology. With extensive experience working with nanoparticles for biosensing and imaging applications, the Stevens group aims to establish a structure-function relationship for common SPN-surfactant systems by combining single-particle and bulk analyses. This proposal aims to conduct a full study of surfactant-polymer blends, using the F8BT polymer as a model system and extending the analysis to establish more general trends with two widely used polymers in the photo-therapeutic space (PCPDTBT and DPPT). Furthermore, we hope to investigate structural changes to SPNs that may occur in a protein-rich environment, with an aim to engineer more robust, efficient and stable imaging and therapeutic agents that can perform well in-vivo.
DOI: 10.34816/ifao.archives.232977
title: SAQQARA_nb_1994_06045

description: Référence : nb_1994_06045<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/bqt-mm7-zsh
title: Hybanthus Jacq.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/eaj-mav-wk3
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510187-1
title: Crystal and magnetic structures of a new high pressure S = ½ Re6+ double perovskite Mn2MgReO6

description: Introducing rock-salt B-site ordering of a non-magnetic cation (here Mg2+) and a S = ½ cation with strong spin-orbital coupling (Re6+) creates geometrically frustrated A2MgReO6 double perovskite (DPv) materials in which interesting phenomena can emerge e.g. multipolar orders in Ba2MgReO6. We have used high pressure to prepare a new Mn2MgReO6 DPv material combining magnetic A-site Mn2+ and the geometrical frustrated BB’ sublattices of A2MgReO6 materials. Magnetic susceptibility data show a ferrimagnetic transition near TC1 = 75 K and a very weak anomaly at TC2 = 40 K. The Weiss/Curie temperature ratio is not consistent with a highly frustrated ground state, and indicates that Mn-Re interactions likely outweigh the expected geometric frustration in the B’ = Re sublattice, but hysteresis measurements reveal an unusual temperature variation that may indicate different ordering temperatures or saturation behaviour for Mn and Re spins. Neutron data from WISH are necessary to study the crystal and magnetic structures of Mn2MgReO6. Neutrons will give accurate atom positions, bond distances and structural distortions around the Mn-site, and enable us to solve the magnetic structure and its evolution below 75 K.
DOI: 10.5286/isis.e.rb2510429
title: The role of cholesterol in cancer cell survival:inhibition of Bax-induced apoptosis

description: Cellular clearance via programmed cell death (apoptosis) is essential for human development and health. Escaping apoptosis is an important hallmark of cancer, and dysregulation of mitochondrial apoptosis is recognized as a common mechanism enabling cancer cell survival and proliferation. While this is often related to upregulation or mutations of the pro-survival protein Bcl-2, another suspected mechanism is related to cholesterol accumulation in the mitochondria of cancer cells due to their altered lipid metabolism. Having established the mechanism by which the apoptotic protein Bax and anti-apoptotic protein Bcl-2 interact with mitochondrial outer membrane mimics using a combination of neutron reflection, ATR-FTIR spectroscopy and solid-state NMR, we now propose to investigate the impact of cholesterol accumulation on the mechanism of apoptosis inhibition in cancer cells.
DOI: 10.5286/isis.e.rb2510429-1
title: The role of cholesterol in cancer cell survival:inhibition of Bax-induced apoptosis

description: Cellular clearance via programmed cell death (apoptosis) is essential for human development and health. Escaping apoptosis is an important hallmark of cancer, and dysregulation of mitochondrial apoptosis is recognized as a common mechanism enabling cancer cell survival and proliferation. While this is often related to upregulation or mutations of the pro-survival protein Bcl-2, another suspected mechanism is related to cholesterol accumulation in the mitochondria of cancer cells due to their altered lipid metabolism. Having established the mechanism by which the apoptotic protein Bax and anti-apoptotic protein Bcl-2 interact with mitochondrial outer membrane mimics using a combination of neutron reflection, ATR-FTIR spectroscopy and solid-state NMR, we now propose to investigate the impact of cholesterol accumulation on the mechanism of apoptosis inhibition in cancer cells.
DOI: 10.5286/isis.e.rb2510641
title: Establishing structure-function relationships in semiconducting polymer-surfactant nanoparticle blends

description: Semiconducting polymer nanoparticles (SPNs) have been widely investigated for applications in biosensing, biological imaging, cancer therapeutics due to their unique optoelectronic properties. Due to the inherent hydrophobicity of many common SPNs, surfactants are often co-precipitated with polymer to increase colloidal stability, reduce biofouling and add functional elements. While some trends in surfactant choice and preparation methods can be correlated with optical performance and hydrodynamic size of these SPN systems, little is known about the impact these design choices have on structure and morphology. With extensive experience working with nanoparticles for biosensing and imaging applications, the Stevens group aims to establish a structure-function relationship for common SPN-surfactant systems by combining single-particle and bulk analyses. This proposal aims to conduct a full study of surfactant-polymer blends, using the F8BT polymer as a model system and extending the analysis to establish more general trends with two widely used polymers in the photo-therapeutic space (PCPDTBT and DPPT). Furthermore, we hope to investigate structural changes to SPNs that may occur in a protein-rich environment, with an aim to engineer more robust, efficient and stable imaging and therapeutic agents that can perform well in-vivo.
DOI: 10.3535/jaq-7cn-986
title: Carex sempervirens Vill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/wmh-f6m-a6a
title: Setaria verticillata (L.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510187
title: Crystal and magnetic structures of a new high pressure S = ½ Re6+ double perovskite Mn2MgReO6

description: Introducing rock-salt B-site ordering of a non-magnetic cation (here Mg2+) and a S = ½ cation with strong spin-orbital coupling (Re6+) creates geometrically frustrated A2MgReO6 double perovskite (DPv) materials in which interesting phenomena can emerge e.g. multipolar orders in Ba2MgReO6. We have used high pressure to prepare a new Mn2MgReO6 DPv material combining magnetic A-site Mn2+ and the geometrical frustrated BB’ sublattices of A2MgReO6 materials. Magnetic susceptibility data show a ferrimagnetic transition near TC1 = 75 K and a very weak anomaly at TC2 = 40 K. The Weiss/Curie temperature ratio is not consistent with a highly frustrated ground state, and indicates that Mn-Re interactions likely outweigh the expected geometric frustration in the B’ = Re sublattice, but hysteresis measurements reveal an unusual temperature variation that may indicate different ordering temperatures or saturation behaviour for Mn and Re spins. Neutron data from WISH are necessary to study the crystal and magnetic structures of Mn2MgReO6. Neutrons will give accurate atom positions, bond distances and structural distortions around the Mn-site, and enable us to solve the magnetic structure and its evolution below 75 K.
DOI: 10.5286/isis.e.rb2510636-1
title: Contrasting coking behaviour in ZSM-11 and ZSM-5 for biomass transformations

description: Catalyst lifetime is a vital metric for improving the efficiency of industrial processes, both from a financial and sustainable viewpoint. In microporous materials (with pore sizes &lt; 2 nm), such as zeolites, the formation of bulky aromatic molecules (coke) is a common occurrence in many high-temperature (&gt; 300 oC) catalytic hydrocarbon transformations. One such transformation is catalytic fast pyrolysis (CFP), which enables conversion of lignocellulosic biomass to valuable benzene, toluene, xylene (BTX) monomers in a single step, and is likely to form part of any future UK biorefinery scenario. This proposal investigates the use of two Fe modified zeolites with different frameworks, Fe/ZSM-5 (zig-zag channels) and Fe/ZSM-11 (straight channels) for CFP of a biomass model compound. Coke formation is the primary mechanism for deactivation during CFP, and this experiment aims to investigate how the choice of framework affects its formation. 
The two systems have very similar size pores; ~ 5.3 – 5.5 Å, but with subtly different framework topologies. Whilst ZSM-5 is constructed from sinusoidal channels that intersect one another, the channels in ZSM-11 are straight. We believe that this plays a significant role in varying the catalysts lifetime.
DOI: 10.34816/ifao.archives.232978
title: SAQQARA_nb_1994_06046

description: Référence : nb_1994_06046<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/aw8-d6h-99h
title: Aegopodium podagraria L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/lp4-adk-msz
title: Carex sempervirens Vill.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510274
title: Crystalline Cu(II)-AZM complex and its co-amorphous system: New antibiotic-based compound

description: Azithromycin (C38H72N2O12, AZM) is a half-synthetic macrolide synthetically obtained from the A erythromycin. It is the first member of a new family of antibiotics known as azalydes, showing some advantages other antibiotics due to its capacity of tissue penetration and higher stability in acidic media. To enhance the effect of the drug and expand the possibilities of application, complexes and solids dispersions involving transition metals or organic molecules have been synthesized over the last few years. In this context, two AZM compounds were synthesized, one in the crystalline form with hydrated copper (II) and the other in the amorphous form with copper (II) and tromethamine. Even if their structural, thermal, and vibrational properties have been characterized and analyzed, a complete description of the location of the water molecules in these systems s still missing. This is however essential to resolve open questions about the molecular packing, solubility, and bioavailability of the drug. Therefore, we propose to use TOSCA to investigate the intermediate intermolecular contacts by H2O molecules in the hydrated and amorphous system, and how they differ from each other.
DOI: 10.5286/isis.e.rb2510274-1
title: Crystalline Cu(II)-AZM complex and its co-amorphous system: New antibiotic-based compound

description: Azithromycin (C38H72N2O12, AZM) is a half-synthetic macrolide synthetically obtained from the A erythromycin. It is the first member of a new family of antibiotics known as azalydes, showing some advantages other antibiotics due to its capacity of tissue penetration and higher stability in acidic media. To enhance the effect of the drug and expand the possibilities of application, complexes and solids dispersions involving transition metals or organic molecules have been synthesized over the last few years. In this context, two AZM compounds were synthesized, one in the crystalline form with hydrated copper (II) and the other in the amorphous form with copper (II) and tromethamine. Even if their structural, thermal, and vibrational properties have been characterized and analyzed, a complete description of the location of the water molecules in these systems s still missing. This is however essential to resolve open questions about the molecular packing, solubility, and bioavailability of the drug. Therefore, we propose to use TOSCA to investigate the intermediate intermolecular contacts by H2O molecules in the hydrated and amorphous system, and how they differ from each other.
DOI: 10.5286/isis.e.rb2510636
title: Contrasting coking behaviour in ZSM-11 and ZSM-5 for biomass transformations

description: Catalyst lifetime is a vital metric for improving the efficiency of industrial processes, both from a financial and sustainable viewpoint. In microporous materials (with pore sizes &lt; 2 nm), such as zeolites, the formation of bulky aromatic molecules (coke) is a common occurrence in many high-temperature (&gt; 300 oC) catalytic hydrocarbon transformations. One such transformation is catalytic fast pyrolysis (CFP), which enables conversion of lignocellulosic biomass to valuable benzene, toluene, xylene (BTX) monomers in a single step, and is likely to form part of any future UK biorefinery scenario. This proposal investigates the use of two Fe modified zeolites with different frameworks, Fe/ZSM-5 (zig-zag channels) and Fe/ZSM-11 (straight channels) for CFP of a biomass model compound. Coke formation is the primary mechanism for deactivation during CFP, and this experiment aims to investigate how the choice of framework affects its formation. 
The two systems have very similar size pores; ~ 5.3 – 5.5 Å, but with subtly different framework topologies. Whilst ZSM-5 is constructed from sinusoidal channels that intersect one another, the channels in ZSM-11 are straight. We believe that this plays a significant role in varying the catalysts lifetime.
DOI: 10.3535/r44-rml-4eq
title: Hordelymus europaeus (L.) Jess. ex Harz

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510063-1
title: Thermal-to-epithermal neutron study of aminoacid organometallic complexes: Nickel L-Histidinate, Copper D-Alaninate and Nickel L-Alaninate

description: Metal ions play an essential biochemical role in many processes, both in the human body and in 
optoelectronic devices. In biological systems, most metal cations interact with proteins, making the study of 
metal-protein binding sites a topic of great interest in scientiﬁc research. When complexed with transition 
metals, these crystals exhibit relevant physical properties, including nonlinear optics, piezoelectricity, and 
ferroelectricity. The proposed experiment is part of a global experimental campaign involving the SXD, 
Tosca and Vesuvio beamline at the TS1 at ISIS. Our aim in this proposal is to measure Nickel L-Histidinate, 
Copper D-Alaninate and Nickel L-Alaninate as a function of temperature (at 0°C, -80°C, -170°C, and 
-190°C ). On SXD, we will perform single-crystal diﬀraction. On Vesuvio, we will use the neutron 
transmission (NT) and neutron Compton scattering (NCS) techniques. On TOSCA, we will measure the 
inter and intramolecular vibrational modes beyond the centre of the ﬁrst Brillouin zone to extend our 
knowledge gained from Raman spectroscopy and benchmark vibrational spectra against ab initio harmonic 
lattice and molecular simulations. The validated ab initio results will serve as the basis for the prediction of 
the properties of nickel L-histidinate, copper D-Alaninate, and nickel L-Alaninate.
DOI: 10.5286/isis.e.rb2510401
title: The high-pressure structure of liquid ammonia

description: We request 5 days on PEARL to determine the structure of pure fluid ammonia at 400 K in the pressure range of 1-2 GPa. There have been no studies in this pressure-temperature region using neutrons as a probe, and hence there is no information available about the exact structure adopted in the fluid, presence or absence of inter-molecular H-bonding and their variation with increasing density.
DOI: 10.5286/isis.e.rb2510401-1
title: The high-pressure structure of liquid ammonia

description: We request 5 days on PEARL to determine the structure of pure fluid ammonia at 400 K in the pressure range of 1-2 GPa. There have been no studies in this pressure-temperature region using neutrons as a probe, and hence there is no information available about the exact structure adopted in the fluid, presence or absence of inter-molecular H-bonding and their variation with increasing density.
DOI: 10.3535/9dt-9dl-3hp
title: Cotoneaster integerrimus Medik.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nkl-rk2-req
title: Sabulina verna subsp. gerardii (Willd.) Dillenb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510063
title: Thermal-to-epithermal neutron study of aminoacid organometallic complexes: Nickel L-Histidinate, Copper D-Alaninate and Nickel L-Alaninate

description: Metal ions play an essential biochemical role in many processes, both in the human body and in 
optoelectronic devices. In biological systems, most metal cations interact with proteins, making the study of 
metal-protein binding sites a topic of great interest in scientiﬁc research. When complexed with transition 
metals, these crystals exhibit relevant physical properties, including nonlinear optics, piezoelectricity, and 
ferroelectricity. The proposed experiment is part of a global experimental campaign involving the SXD, 
Tosca and Vesuvio beamline at the TS1 at ISIS. Our aim in this proposal is to measure Nickel L-Histidinate, 
Copper D-Alaninate and Nickel L-Alaninate as a function of temperature (at 0°C, -80°C, -170°C, and 
-190°C ). On SXD, we will perform single-crystal diﬀraction. On Vesuvio, we will use the neutron 
transmission (NT) and neutron Compton scattering (NCS) techniques. On TOSCA, we will measure the 
inter and intramolecular vibrational modes beyond the centre of the ﬁrst Brillouin zone to extend our 
knowledge gained from Raman spectroscopy and benchmark vibrational spectra against ab initio harmonic 
lattice and molecular simulations. The validated ab initio results will serve as the basis for the prediction of 
the properties of nickel L-histidinate, copper D-Alaninate, and nickel L-Alaninate.
DOI: 10.5286/isis.e.rb2510539
title: Investigating Magnetism and Chirality in the Magnetic Topological Material TbSi

description: Magnetic skyrmions are small, swirling topological defects in magnetization textures, with stability and dynamics tied to their topological properties. A hallmark of skyrmion phases is the topological Hall effect (THE), where the signal scales with a fictitious field rather than magnetization. In this proposal, we apply for neutron scattering experiments to resolve the magnetic structure and chirality of the newly-identified magnetic topological material TbSi with a distinct THE. This will provide the first definitive solution to the magnetic structure of TbSi, clarify the origin of the observed THE, and also explore the potential for altermagnetism through symmetry analysis.
DOI: 10.5286/isis.e.rb2510539-1
title: Investigating Magnetism and Chirality in the Magnetic Topological Material TbSi

description: Magnetic skyrmions are small, swirling topological defects in magnetization textures, with stability and dynamics tied to their topological properties. A hallmark of skyrmion phases is the topological Hall effect (THE), where the signal scales with a fictitious field rather than magnetization. In this proposal, we apply for neutron scattering experiments to resolve the magnetic structure and chirality of the newly-identified magnetic topological material TbSi with a distinct THE. This will provide the first definitive solution to the magnetic structure of TbSi, clarify the origin of the observed THE, and also explore the potential for altermagnetism through symmetry analysis.
DOI: 10.3535/dm7-b4m-ddx
title: Carex brachystachys Schrank

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/fr5-1xt-yfp
title: Crepis pyrenaica (L.) Greuter

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2510230
title: Probing the superconducting ground state of on non-centrosymmetric Ising superconductor 4H-NbSe2

description: This muon spin rotation (µSR) proposal aims to investigate the unconventional superconducting properties of the non-centrosymmetric superconductor 4H-NbSe2, which exhibits superconductivity at a critical temperature (Tc) of 6.21 K. Temperature-dependent magnetization and resistivity measurements have revealed a significantly higher upper critical field (Hc2) for in-plane fields (32.9 T) compared to out-of-plane fields (5.77 mT), suggesting the possibility of Ising superconductivity in this compound. First-principles calculations further support this notion by confirming a similar electronic structure and spin-orbit coupling strength as the monolayer polymorph. Given the challenges associated with local measurements in monolayers and the existing ambiguity regarding the superconducting ground state (spin-triplet vs. Ising), bulk 4H-NbSe2 presents a unique opportunity to explore the superconducting ground state through µSR for this potential Ising superconductor.
DOI: 10.5286/isis.e.rb2510230-1
title: Probing the superconducting ground state of on non-centrosymmetric Ising superconductor 4H-NbSe2

description: This muon spin rotation (µSR) proposal aims to investigate the unconventional superconducting properties of the non-centrosymmetric superconductor 4H-NbSe2, which exhibits superconductivity at a critical temperature (Tc) of 6.21 K. Temperature-dependent magnetization and resistivity measurements have revealed a significantly higher upper critical field (Hc2) for in-plane fields (32.9 T) compared to out-of-plane fields (5.77 mT), suggesting the possibility of Ising superconductivity in this compound. First-principles calculations further support this notion by confirming a similar electronic structure and spin-orbit coupling strength as the monolayer polymorph. Given the challenges associated with local measurements in monolayers and the existing ambiguity regarding the superconducting ground state (spin-triplet vs. Ising), bulk 4H-NbSe2 presents a unique opportunity to explore the superconducting ground state through µSR for this potential Ising superconductor.