cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2220264
title: First and Second Order Phase Transitions in Glyphosate at High Pressure

description: A recent high pressure Raman study indicates that glyphosate undergoes two phase transitions at ~1 GPa and between ~4 GPa. Single crystal X-ray diffraction finds no discontinuities in the lattice or structural parameters. These contradictory findings were resolved by partitioning the cell volume into contributions from occupied and void space to reveal two small events at 0.9 and 3.8 GPa in the occupied volume, suggesting that the transitions are second order and correspond to changes in the mechanism by which pressure is accommodated. This neutron time will resolve an unusual oscillation in the position of one H-atom, required for the packing energy calculations that partly define the order of the transition. Glyphosate becomes polycrystalline at ~6 GPa after a first order phase transition; we will also collect data for complete structural characterisation of this new phase.
DOI: 10.3535/ce2-phg-ddh
title: Tsuga (Endl.) Carrière

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/sxp-fth-k08
title: Picea A.Dietr.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2255014-2
title: Effect of recombinant protein expression on baculovirus budded virus structure and infectivity
DOI: 10.5286/isis.e.rb2320296
title: Metamagnetic transitions in the honeycomb lattice Er2Si2O7

description: We seek to further investigate the metamagnetic transitions in the honeycomb lattice Er2Si2O7. The 1/3-plateau seen in the H||a magnetisation process is rather unusual for a four-sublattice structure. The plateau stabilisation is accompanied by a significant increase of the magnetic unit cell. Non-integer magnetic peaks indexed (0,k+1/2,l+1/2), (0,k+1/4,l+1/4) (0,k+1/3,l) and (0,k+2/3,l), where k and l are integers, appear in a narrow range of an applied field associated with the magnetisation plateau, while the field regions above and below the plateau contain only (0kl) peaks. Some of the non-integer field-induced peaks are not resolution limited, suggesting shorter-range magnetic correlations on the plateau. However, while we have solved the magnetic structure in the H||a,unusual behaviour is seen in applied field H||c in which a magnetic transition at 3.3 kOe is accompanied by a sudden jump of magnetisation. A magnetisation of 2μB per Er3+ is reached after the transition diverging from the predicted Ising-like behaviour. Above this transition, the magnetisation steadily increases and it seems saturation is not reached even at a significantly higher applied field of 70kOe. Observation of the diffuse scattering of the single crystal with the applied field oriented parallel to the c direction of the crystal will verify the true nature of the magnetic structure and also shed light on the cause of unexpected high field behaviour of the magnetisation process along the c-axis.
DOI: 10.5286/isis.e.rb2320296-1
title: Metamagnetic transitions in the honeycomb lattice Er2Si2O7

description: We seek to further investigate the metamagnetic transitions in the honeycomb lattice Er2Si2O7. The 1/3-plateau seen in the H||a magnetisation process is rather unusual for a four-sublattice structure. The plateau stabilisation is accompanied by a significant increase of the magnetic unit cell. Non-integer magnetic peaks indexed (0,k+1/2,l+1/2), (0,k+1/4,l+1/4) (0,k+1/3,l) and (0,k+2/3,l), where k and l are integers, appear in a narrow range of an applied field associated with the magnetisation plateau, while the field regions above and below the plateau contain only (0kl) peaks. Some of the non-integer field-induced peaks are not resolution limited, suggesting shorter-range magnetic correlations on the plateau. However, while we have solved the magnetic structure in the H||a,unusual behaviour is seen in applied field H||c in which a magnetic transition at 3.3 kOe is accompanied by a sudden jump of magnetisation. A magnetisation of 2μB per Er3+ is reached after the transition diverging from the predicted Ising-like behaviour. Above this transition, the magnetisation steadily increases and it seems saturation is not reached even at a significantly higher applied field of 70kOe. Observation of the diffuse scattering of the single crystal with the applied field oriented parallel to the c direction of the crystal will verify the true nature of the magnetic structure and also shed light on the cause of unexpected high field behaviour of the magnetisation process along the c-axis.
DOI: 10.3535/rtw-kft-ge3
title: Orchis purpurea subsp. purpurea

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/x78-j4k-02f
title: Tanacetum parthenium (L.) Sch. Bip.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2200309
title: Li-diffusion Study of the Disordered Rocksalt Material LNTO as Lithium-ion Battery Cathode

description: As demand for energy storage technologies with low cost and high energy density continues to increase, lithium-ion battery research must focus on developing new cathode materials to meet such expectations. Lithium transition metal oxides with disordered rocksalt (DRX) structure such as Li1.2Ni0.2Ti0.6O2 (LNTO) are one area of focus for this due to their high theoretical capacities. However, there is still much to learn about such structures, particularly the effect of variations in synthetic route on properties such as local charge distribution and ordering which can alter performance. We propose to investigate this using Muon Spectroscopy by elucidating differences in Li-ion diffusion brought on by changes in synthetic route.
DOI: 10.5286/isis.e.rb2200309-1
title: Li-diffusion Study of the Disordered Rocksalt Material LNTO as Lithium-ion Battery Cathode

description: As demand for energy storage technologies with low cost and high energy density continues to increase, lithium-ion battery research must focus on developing new cathode materials to meet such expectations. Lithium transition metal oxides with disordered rocksalt (DRX) structure such as Li1.2Ni0.2Ti0.6O2 (LNTO) are one area of focus for this due to their high theoretical capacities. However, there is still much to learn about such structures, particularly the effect of variations in synthetic route on properties such as local charge distribution and ordering which can alter performance. We propose to investigate this using Muon Spectroscopy by elucidating differences in Li-ion diffusion brought on by changes in synthetic route.
DOI: 10.5286/isis.e.rb2390169-1
title: Probing the ground state Magnetic structure of YbZn2GaO5 single crystal
DOI: 10.3535/n6f-6t3-kkk
title: Pulsatilla halleri subsp. halleri

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/tvt-c9h-k72
title: Pulsatilla halleri subsp. halleri

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220366
title: Anomalous magnetism and spin dynamics in Se-substituted Co3Sn2S2
DOI: 10.5286/isis.e.rb2220366-1
title: Anomalous magnetism and spin dynamics in Se-substituted Co3Sn2S2
DOI: 10.3535/kv1-s8w-rea
title: Pseudotsuga menziesii (Mirb.) Franco

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2300008-1
title: P2/P3 composite layered cathode materials for sodium ion batteries

description: Sodium-ion batteries (NIBs) are a more sustainable, cheaper and safer energy storage solution to lithium-ion batteries (LIBs). The best performing NIBs contain sodium layered oxide cathode materials, based around sodium, nickel and manganese, which typically adopt one of three structures P2,P3 (with trigonal prismatic sodium and O3 (with octahedral sodium). Recent studies have demonstrated that materials comprising nanoscale intergrowths of different phases can result in superior properties compared to single-phase equivalents. We have prepared a series of P2/P3 composites with excellent cycling performance and high voltages that are competitive with current commercial materials. This experiemnt seeks to understand the transition metal distribution in the component phases and the structural evolution on charge/discharge.
DOI: 10.5286/isis.e.rb2310278
title: MuSR studies of non-centrosymmetric superconductor NbGe2

description: The NbGe2 compound crystallizes in a NCS monoclinic structure and is described as a chiral crystal. Previous ZF-MuSR experiment at J-PARC showed the increase of muon spin relaxation rate increase below the superconducting transition temperature. However, it is difficult to get a accurate conclusion due to the sample size and experimental conditions. We propose to perform ZF-MuSR experiment at ISIS to confirm whether TRS breaking exists in the superconducting state of this compound. TF-MuSR experiment is also proposed to study the type-1.5 superconductivity of this compound.
DOI: 10.5286/isis.e.rb2310278-1
title: MuSR studies of non-centrosymmetric superconductor NbGe2

description: The NbGe2 compound crystallizes in a NCS monoclinic structure and is described as a chiral crystal. Previous ZF-MuSR experiment at J-PARC showed the increase of muon spin relaxation rate increase below the superconducting transition temperature. However, it is difficult to get a accurate conclusion due to the sample size and experimental conditions. We propose to perform ZF-MuSR experiment at ISIS to confirm whether TRS breaking exists in the superconducting state of this compound. TF-MuSR experiment is also proposed to study the type-1.5 superconductivity of this compound.
DOI: 10.3535/rfz-zmg-46x
title: Tanacetum parthenium (L.) Sch. Bip.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/syd-f50-p58
title: Ranunculus rumelicus Griseb.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2300008
title: P2/P3 composite layered cathode materials for sodium ion batteries

description: Sodium-ion batteries (NIBs) are a more sustainable, cheaper and safer energy storage solution to lithium-ion batteries (LIBs). The best performing NIBs contain sodium layered oxide cathode materials, based around sodium, nickel and manganese, which typically adopt one of three structures P2,P3 (with trigonal prismatic sodium and O3 (with octahedral sodium). Recent studies have demonstrated that materials comprising nanoscale intergrowths of different phases can result in superior properties compared to single-phase equivalents. We have prepared a series of P2/P3 composites with excellent cycling performance and high voltages that are competitive with current commercial materials. This experiemnt seeks to understand the transition metal distribution in the component phases and the structural evolution on charge/discharge.
DOI: 10.5286/isis.e.rb2390160
title: Custom made flow cell - neutron radiography test
DOI: 10.5286/isis.e.rb2390160-1
title: Custom made flow cell - neutron radiography test
DOI: 10.3535/jdb-y7k-eh7
title: Orchis purpurea subsp. purpurea

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/kc6-g51-bxg
title: Ranunculus asiaticus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2010654-3
title: Topologies of hydrogen-bond networks: Amorphous Ammonia Dihydrate
DOI: 10.5286/isis.e.rb2310091
title: Bulk Texture Analysis in Powder Extruded Ti-6Al-4V alloy containing extra high oxygen

description: Over the last few decades, there has been a desire to expand the market for Ti-6Al-4V alloy from aerospace applications to more general applications. However, the high cost of Ti-6Al-4V produced by conventional ingot metallurgy is a barrier. Consequently, there is a lot of interest in the utilisation of powder metallurgy (PM) as an affordable alternative that can produce near-net shape components. One major concern associated with conventional PM techniques is the presence of post-processing residual porosity and relatively high interstitial impurities resulting from cheaper starting powders that can lead to inferior properties. Although the development of innovative thermo-mechanical powder consolidation processes, such as powder compact extrusion has provided a nearly fully dense material introduction of severe deformation during processing means significantly complex evolution of microstructure showing anisotropic behaviour. Hence analysing the microstructural variations and crystallographic texture of constituent phases (hcp α and bcc β) across cross-sections and along the length of extruded material is rather important and no such study has been performed for powder-extruded Ti-6Al-4V. The knowledge of texture is essential to achieve desirable mechanical properties through heat treatments despite the presence of high interstitial impurities in relative cheap final components that can be utilised in many non-critical ‘fit for purpose applications.
DOI: 10.5286/isis.e.rb2310091-1
title: Bulk Texture Analysis in Powder Extruded Ti-6Al-4V alloy containing extra high oxygen

description: Over the last few decades, there has been a desire to expand the market for Ti-6Al-4V alloy from aerospace applications to more general applications. However, the high cost of Ti-6Al-4V produced by conventional ingot metallurgy is a barrier. Consequently, there is a lot of interest in the utilisation of powder metallurgy (PM) as an affordable alternative that can produce near-net shape components. One major concern associated with conventional PM techniques is the presence of post-processing residual porosity and relatively high interstitial impurities resulting from cheaper starting powders that can lead to inferior properties. Although the development of innovative thermo-mechanical powder consolidation processes, such as powder compact extrusion has provided a nearly fully dense material introduction of severe deformation during processing means significantly complex evolution of microstructure showing anisotropic behaviour. Hence analysing the microstructural variations and crystallographic texture of constituent phases (hcp α and bcc β) across cross-sections and along the length of extruded material is rather important and no such study has been performed for powder-extruded Ti-6Al-4V. The knowledge of texture is essential to achieve desirable mechanical properties through heat treatments despite the presence of high interstitial impurities in relative cheap final components that can be utilised in many non-critical ‘fit for purpose applications.
DOI: 10.3535/sgx-rx2-mxy
title: Tanacetum parthenium (L.) Sch. Bip.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/spe-pjf-wta
title: Ranunculus creticus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220458
title: Ion Diffusion in the Novel Sodium Battery Spinel Material Na3LiTi5O12
DOI: 10.5286/isis.e.rb2220458-1
title: Ion Diffusion in the Novel Sodium Battery Spinel Material Na3LiTi5O12
DOI: 10.5286/isis.e.rb2310301-1
title: Simultaneous loading of miltefosine and pentamidine in micelles and micellar gels of poloxamines for the treatment of leishmaniasis

description: Leishmaniasis (LS) is a neglected tropical disease (NTD) with high morbidity and mortality, considered the second leading cause of death worldwide by a parasitic agent after malaria. The available drugs against LS exhibit high toxicity and long duration schedules that can be overcome with more efficient formulations. Tetronic®, a family of block copolymers with temperature and pH-responsiveness, can encapsulate miltefosine, a phospholipid with activity against various parasite species, as well as pentamidine, used to treat LS. Our objective in this proposal is to elucidate by SANS the structures formed by Tetronic aggregates loaded with both drugs under physiological conditions. The experiments will be conducted at the diluted (micelles) and concentrated regimes (gels, intended for topical application in cutaneous LS). The ultimate goal is the design of formulations for the treatment of NTDs based on dual combination therapy, in which the drugs act at lower concentrations, thus reducing the side effects while keeping their therapeutic action. This proposal is a continuation of RB2210097 experiment.
DOI: 10.3535/hb1-bnb-86t
title: Tripleurospermum maritimum (L.) W. D. J. Koch

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2310301
title: Simultaneous loading of miltefosine and pentamidine in micelles and micellar gels of poloxamines for the treatment of leishmaniasis

description: Leishmaniasis (LS) is a neglected tropical disease (NTD) with high morbidity and mortality, considered the second leading cause of death worldwide by a parasitic agent after malaria. The available drugs against LS exhibit high toxicity and long duration schedules that can be overcome with more efficient formulations. Tetronic®, a family of block copolymers with temperature and pH-responsiveness, can encapsulate miltefosine, a phospholipid with activity against various parasite species, as well as pentamidine, used to treat LS. Our objective in this proposal is to elucidate by SANS the structures formed by Tetronic aggregates loaded with both drugs under physiological conditions. The experiments will be conducted at the diluted (micelles) and concentrated regimes (gels, intended for topical application in cutaneous LS). The ultimate goal is the design of formulations for the treatment of NTDs based on dual combination therapy, in which the drugs act at lower concentrations, thus reducing the side effects while keeping their therapeutic action. This proposal is a continuation of RB2210097 experiment.
DOI: 10.5286/isis.e.rb2320011
title: In situ NPD studies of Porous Metal-Organic Frameworks for Selective Benzene Capture

description: Benzene is one of the most important volatile organic compounds (VOCs) as well as a major indoor air pollutant posing a serious threat to public health due to its carcinogenicity. Furthermore, the separation of benzene and cyclohexane is vital for the production of high-purity cyclohexane in chemical industry. The removal of trace amount of benzene from air or benzene/cyclohexane mixture demands materials with outstanding affinity and capture efficiency. Metal-organic frameworks (MOFs) have shown great potential for toxic gas adsorption and separation. We seek to develop new sorbent materials for the efficient capture of benzene and request 4 days on WISH to study the adsorption behaviour of benzene and cyclohexane molecules in two robust MOF materials (MFM-125 and MFM-125-defect). Introduction of structural defects in MFM-125 has led to exceptionally high adsorption capacity for benzene at low-pressure region and high selectivity for benzene/cyclohexane separation in MFM-125-defect, suggesting the presence of specific host-guest interactions. The understanding of the intermolecular interactions between the porous framework and the hydrocarbon guests will tremendously benefit from the high resolution and the high sensitivity to light elements of neutron powder diffraction at WISH.
DOI: 10.5286/isis.e.rb2320011-1
title: In situ NPD studies of Porous Metal-Organic Frameworks for Selective Benzene Capture

description: Benzene is one of the most important volatile organic compounds (VOCs) as well as a major indoor air pollutant posing a serious threat to public health due to its carcinogenicity. Furthermore, the separation of benzene and cyclohexane is vital for the production of high-purity cyclohexane in chemical industry. The removal of trace amount of benzene from air or benzene/cyclohexane mixture demands materials with outstanding affinity and capture efficiency. Metal-organic frameworks (MOFs) have shown great potential for toxic gas adsorption and separation. We seek to develop new sorbent materials for the efficient capture of benzene and request 4 days on WISH to study the adsorption behaviour of benzene and cyclohexane molecules in two robust MOF materials (MFM-125 and MFM-125-defect). Introduction of structural defects in MFM-125 has led to exceptionally high adsorption capacity for benzene at low-pressure region and high selectivity for benzene/cyclohexane separation in MFM-125-defect, suggesting the presence of specific host-guest interactions. The understanding of the intermolecular interactions between the porous framework and the hydrocarbon guests will tremendously benefit from the high resolution and the high sensitivity to light elements of neutron powder diffraction at WISH.
DOI: 10.3535/46j-5dt-cxh
title: Pyrethrum maritimum Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/che-xxn-btf
title: Orchidaceae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2220659
title: Operando neutron diffraction to study an LNTO disordered rocksalt (DRX) material as a lithium-ion battery (LIB) cathode
DOI: 10.5286/isis.e.rb2220659-1
title: Operando neutron diffraction to study an LNTO disordered rocksalt (DRX) material as a lithium-ion battery (LIB) cathode
DOI: 10.5286/isis.e.rb2310107-1
title: Magnetic excitations in a low dimentional quasi-1D spin-one chain: PbCd2Ni6Te3O18

description: Recently one-dimensional (1D) spin-chain systems has attracted considerable attention due to possibility of Haldane formation for an integer spin system. The compounds PbCd2Ni6Te3O18 (M=Cd and Mn) having quasi-1D chains of Ni2+ (S=1) and Mn2+ (S=5/2) in their crystal structure exhibit remarkably interesting magnetic properties. The susceptibility reveals an antiferromagnetic ordering at 25.7 K for M = Cd and 86.0 K for M=Mn. Further, the heat capacity measurements also support the AFM magnetic ground state in both the compounds. Interestingly the susceptibility of M=Cd exhibits a broad maximum above TN indicating the presence of short range magnetic interactions. Our inelastic neutron scattering study on M=Mn on MARI reveals two well defined dispersive magnetic excitations below 20 meV at 5 K. To compare the magnetic exchange strength between Ni-Ni in PbCd2Ni6Te3O18 (M=Cd and Mn) compounds), we proposed to investigate magnetic excitations in M=Cd using the MERLIN spectrometer.
DOI: 10.3535/655-35s-k43
title: Ranunculus polyanthemos subsp. thomasii (Ten.) Tutin

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rs9-vkg-zgg
title: Tripleurospermum maritimum subsp. maritimum

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