cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e/isis.e.rb2420026-1
title: Contrast matching to understand solvent induced changes in morphology in dipeptide aggregates

description: We have a range of functionalised dipeptides that form micellar aggregates at high pH. We have recently found that we can modify the micellar aggregates by the addition of a co-solvent. The specific changes in morphology depend on the solvent used and are system dependent. We have excellent SAXS data, but now need to understand whether the co-solvent is part of the micellar aggregates or whether the changes are due to the changes in polarity, dielectric constant etc. Here, we wish to use contrast matching approaches to match out the dipeptide and see if the solvent is specifically present in the micellar aggregate or uniformly dispersed across the system.
DOI: 10.5286/isis.e/isis.e.rb2420491
title: An investigation of chromotropic behaviour in anils using combined neutron diffraction and Raman spectroscopy

description: Following the conclusion of a facility development project to develop a new sample environment allowing simultaneous in-situ neutron diffraction and Raman spectroscopy, we propose to study photoisomerization in 3,5-di-tert-butylsalicylidene-3,4dimethoxyanline, and proton migration in-salicylidene-2,5difluroanline and 3,5-di-tert-butylsalicylidene-2,4difluroanline. These compounds are chromotropic and such behaviour is associated with the transfer of a hydrogen atom from the oxygen atom of a phenolic group to a nitrogen atom to produce an enamine. The proton migration occurs either by thermal (thermochromic) or light stimuli (photochromic) and the possibility of studying the structural features and the Raman response at the same time will probe the mechanisms of action in fine details whilst building fundamental knowledge to be used for further calculations on these systems
DOI: 10.5286/isis.e/isis.e.rb2420491-1
title: An investigation of chromotropic behaviour in anils using combined neutron diffraction and Raman spectroscopy

description: Following the conclusion of a facility development project to develop a new sample environment allowing simultaneous in-situ neutron diffraction and Raman spectroscopy, we propose to study photoisomerization in 3,5-di-tert-butylsalicylidene-3,4dimethoxyanline, and proton migration in-salicylidene-2,5difluroanline and 3,5-di-tert-butylsalicylidene-2,4difluroanline. These compounds are chromotropic and such behaviour is associated with the transfer of a hydrogen atom from the oxygen atom of a phenolic group to a nitrogen atom to produce an enamine. The proton migration occurs either by thermal (thermochromic) or light stimuli (photochromic) and the possibility of studying the structural features and the Raman response at the same time will probe the mechanisms of action in fine details whilst building fundamental knowledge to be used for further calculations on these systems
DOI: 10.3535/vcs-yh7-lzf
title: Nardus stricta L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410566-1
title: High-Pressure Structural Evolution of a Fluorocuprate Ruddlesden-Popper Phase

description: Ruddlesden-Popper (RP) based phases have piqued the interest of many scientists for decades since the discovery of superconductivity in the La2CuO4, hole-doped systems. Whilst there has been countless studies on the A2(Cu,Ni)O4+𝛅 systems, their fluoride counterparts (where A = K, Rb) have received far less attention, largely due to the stability of the I4/mmm structure with decreasing temperature, thereby not affording the phase transitions associated with the onset of superconductivity in the oxides. We have recently synthesised Na2CuF4 (monoclinic, P21/c) through HF-free synthesis routes, and expect to observe a phase transition to the RP phase under pressure. Our DFT calculations have shown that there is a lower energy ground state (P42/ncm) that is thermodynamically more stable than the monoclinic structure, which we expect to observe under high pressures. Here we propose a high pressure in-situ diffraction study on PEARL to investigate this phase transition, and its stability post-transition as the pressure is released.
DOI: 10.5286/isis.e/isis.e.rb2420026
title: Contrast matching to understand solvent induced changes in morphology in dipeptide aggregates

description: We have a range of functionalised dipeptides that form micellar aggregates at high pH. We have recently found that we can modify the micellar aggregates by the addition of a co-solvent. The specific changes in morphology depend on the solvent used and are system dependent. We have excellent SAXS data, but now need to understand whether the co-solvent is part of the micellar aggregates or whether the changes are due to the changes in polarity, dielectric constant etc. Here, we wish to use contrast matching approaches to match out the dipeptide and see if the solvent is specifically present in the micellar aggregate or uniformly dispersed across the system.
DOI: 10.5286/isis.e/isis.e.rb2490084-1
title: Confined Water in Cu-Pz
DOI: 10.34816/ifao.archives.232809
title: SAQQARA_nb_1994_03279

description: Référence : nb_1994_03279<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/gja-8x2-vwv
title: Poa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/v2j-np1-rbv
title: Phleum alpinum L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2220194-2
title: Towards accurate B–O coordination numbers and structure-property relations in borate liquids

description: High-energy x-ray diffraction can provide accurate B-O coordination numbers, nBO, based on mean B–O bond lengths, rBO. Measuring temperature dependence of these in liquid borates allows enthalpies & entropies of isomerization to be extracted, & these connect directly to configurational properties such as heat capacity & entropy, which play a key role in viscous flow. This procedure relies on accurate knowledge of the thermal expansion of the B–O bond. Here we propose to measure the temperature dependent structure of liquid B2O3 using neutrons, in order to verify the rBO(T) obtained with x-rays, & to ensure that future neutron measurements of borate liquids can be used to derive structure-property relationships. We will also calculate x-ray-neutron difference functions, giving access to nearest-neighbour B–B distances, & unique insight into the boroxol ring dissolution mechanism.
DOI: 10.5286/isis.e/isis.e.rb2320069-2
title: What is the solution structure of Ce in different oxidation states? An in-situ electrochemical and neutron diffraction study in water

description: The aqueous coordination chemistry of the f-block is underdeveloped in comparison to the transition metals, but important emerging technologies (e.g batteries) or closed loop recycling strategies that rely on lanthanides do not have sufficient structural or thermodynamic grounding. In the proposal we aim to examine the structure of Ce(III) nitrate and electrochemically oxidise to Ce(IV) nitrate to directly compare the structures (e.g. inner vs outer sphere nitrate coordination; coordination number) and formation constants for any equilibria that may be formed. This will use a newly developed electrochemical cell so all measurements and the bulk electrolysis steps are conducted inside the instrument. The results will be augmented by EXAFS data measured on B18 at Diamond.
DOI: 10.5286/isis.e/isis.e.rb2410566
title: High-Pressure Structural Evolution of a Fluorocuprate Ruddlesden-Popper Phase

description: Ruddlesden-Popper (RP) based phases have piqued the interest of many scientists for decades since the discovery of superconductivity in the La2CuO4, hole-doped systems. Whilst there has been countless studies on the A2(Cu,Ni)O4+𝛅 systems, their fluoride counterparts (where A = K, Rb) have received far less attention, largely due to the stability of the I4/mmm structure with decreasing temperature, thereby not affording the phase transitions associated with the onset of superconductivity in the oxides. We have recently synthesised Na2CuF4 (monoclinic, P21/c) through HF-free synthesis routes, and expect to observe a phase transition to the RP phase under pressure. Our DFT calculations have shown that there is a lower energy ground state (P42/ncm) that is thermodynamically more stable than the monoclinic structure, which we expect to observe under high pressures. Here we propose a high pressure in-situ diffraction study on PEARL to investigate this phase transition, and its stability post-transition as the pressure is released.
DOI: 10.3535/eee-n02-7ay
title: Koeleria spicata (L.) Barberá, Quintanar, Soreng & P.M.Peterson

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/sj3-q7g-mh4
title: Rosaceae Juss.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2310289
title: INS study of iridate electrocatalysts used for water splitting

description: The development of effective electrocatalysts to bring about the splitting of water to yield hydrogen and oxygen as fuels is of great contemporary importance. In an electrolyser, the anodic oxygen evolution reaction (OER) is a major limiting step in improving efficiency and acid-resilient electrocatalysts are needed to bring about the effective operation of such devices. We will study some newly developed examples of such materials that have been exposed to acid conditions and embedded in a polymer membrane to mimic their real use. The aim is to use the sensitivity of inelastic neutron spectroscopy to examine the environment of acidic groups and trapped water to better understand the stability and mode of operation of these important energy materials.
DOI: 10.5286/isis.e/isis.e.rb2310289-1
title: INS study of iridate electrocatalysts used for water splitting

description: The development of effective electrocatalysts to bring about the splitting of water to yield hydrogen and oxygen as fuels is of great contemporary importance. In an electrolyser, the anodic oxygen evolution reaction (OER) is a major limiting step in improving efficiency and acid-resilient electrocatalysts are needed to bring about the effective operation of such devices. We will study some newly developed examples of such materials that have been exposed to acid conditions and embedded in a polymer membrane to mimic their real use. The aim is to use the sensitivity of inelastic neutron spectroscopy to examine the environment of acidic groups and trapped water to better understand the stability and mode of operation of these important energy materials.
DOI: 10.5286/isis.e/isis.e.rb2420286-1
title: Neutron studies of irradiation-induced defects in Cu-based materials for nuclear applications

description: The impact of irradiation on structural nuclear materials is one of the most studied aspects in the field of nuclear research. The irradiation effect involves a complex combination of many types of damage in different time and dimensional scales. The challenge in nuclear material research is to gain knowledge about the migration and agglomeration of defects as well as the trapping and de-trapping of helium at high temperatures. In the current proposal, we want to study irradiation-induced defects and helium-defect interaction in the precipitation-hardened copper alloy CuCrZr and oxide dispersion-strengthened copper ODS-Cu. We would like to determine the role of initially existing defects as phase boundaries and pre-treatment Ne implantation on He retention and bubble sizes in these materials. On the basis of the data obtained, the answer will be sought which of the tested materials is most suitable for nuclear application
DOI: 10.34816/ifao.archives.232810
title: SAQQARA_nb_1994_03280

description: Référence : nb_1994_03280<br />Site : Saqqara<br />Secteur : Mastaba de Ti<br />Type : photographie<br />
DOI: 10.3535/s7h-hsl-c8c
title: Barbarea vulgaris W. T. Aiton

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zwz-aa3-0g6
title: Poaceae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2420244
title: Resolving the structure of chlorophyll at the electrode surface under spectroelectrochemical stimuli

description: The experiments outlined in this proposal will determine the structure of monolayers and multilayers of a key light-harvesting molecule in photosynthesis—chlorophyll—at the electrode/electrolyte interface and how this is affected by light and applied potential. This will allow us to better understand the mechanisms of electron-transport in pigment-based bioelectronic devices.
DOI: 10.5286/isis.e/isis.e.rb2420244-1
title: Resolving the structure of chlorophyll at the electrode surface under spectroelectrochemical stimuli

description: The experiments outlined in this proposal will determine the structure of monolayers and multilayers of a key light-harvesting molecule in photosynthesis—chlorophyll—at the electrode/electrolyte interface and how this is affected by light and applied potential. This will allow us to better understand the mechanisms of electron-transport in pigment-based bioelectronic devices.
DOI: 10.5286/isis.e/isis.e.rb2420286
title: Neutron studies of irradiation-induced defects in Cu-based materials for nuclear applications

description: The impact of irradiation on structural nuclear materials is one of the most studied aspects in the field of nuclear research. The irradiation effect involves a complex combination of many types of damage in different time and dimensional scales. The challenge in nuclear material research is to gain knowledge about the migration and agglomeration of defects as well as the trapping and de-trapping of helium at high temperatures. In the current proposal, we want to study irradiation-induced defects and helium-defect interaction in the precipitation-hardened copper alloy CuCrZr and oxide dispersion-strengthened copper ODS-Cu. We would like to determine the role of initially existing defects as phase boundaries and pre-treatment Ne implantation on He retention and bubble sizes in these materials. On the basis of the data obtained, the answer will be sought which of the tested materials is most suitable for nuclear application
DOI: 10.3535/lq3-dbl-vlh
title: Poa L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2291052
title: Incident energy dependent total neutron cross-section measurement of thymol.
DOI: 10.5286/isis.e/isis.e.rb2291052-1
title: Incident energy dependent total neutron cross-section measurement of thymol.
DOI: 10.5286/isis.e/isis.e.rb2490033-1
title: Potential charge state change in NV-centre diamond
DOI: 10.3535/dfj-mwh-dd5
title: Trisetum Pers.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zmv-rha-t11
title: Anthoxanthum nipponicum Honda

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2400003
title: We CANS Do It: A Step Towards a Canadian PC-CANS

description: With a shortage of neutrons worldwide, a desire for the development of compact accelerator-driven neutron sources (CANS) has arisen. As such, a prototype Canadian CANS (PC-CANS) is proposed as the first steps towards rebuilding Canadian neutron capabilities. A challenge for this project is demonstrating that such a build will yield useful and efficient measurement capabilities for the user community. To emulate the proposed PC-CANS capabilities, the use of a modified LOQ setup (modified aperture) with a lower neutron flux will be used to measure a variety of experiments to compare the quality of data received versus a native LOQ setup. The experiments planned for the beamtime would include lipid membrane experiments probing structure of vesicles, detection of lipid domains, and monitoring of lipid asymmetry. Further experimentation in other fields, such as a templated silicalite experiment, will also be performed to expand the scope of the investigation and display further capabilities of the CANS instrument to users of other disciplines.
DOI: 10.5286/isis.e/isis.e.rb2400003-1
title: We CANS Do It: A Step Towards a Canadian PC-CANS

description: With a shortage of neutrons worldwide, a desire for the development of compact accelerator-driven neutron sources (CANS) has arisen. As such, a prototype Canadian CANS (PC-CANS) is proposed as the first steps towards rebuilding Canadian neutron capabilities. A challenge for this project is demonstrating that such a build will yield useful and efficient measurement capabilities for the user community. To emulate the proposed PC-CANS capabilities, the use of a modified LOQ setup (modified aperture) with a lower neutron flux will be used to measure a variety of experiments to compare the quality of data received versus a native LOQ setup. The experiments planned for the beamtime would include lipid membrane experiments probing structure of vesicles, detection of lipid domains, and monitoring of lipid asymmetry. Further experimentation in other fields, such as a templated silicalite experiment, will also be performed to expand the scope of the investigation and display further capabilities of the CANS instrument to users of other disciplines.
DOI: 10.5286/isis.e/isis.e.rb2410490-1
title: Probing and manipulating quantum states near an avoided level crossing in an isolated spin system.

description: We propose to use radio frequency manipulation to excite
and manipulate the state population at an avoided level crossing.
We can measure the isolated susceptibility in LiHo1-xYxF4 using transverse field
diamagnetic muons, where the isolated susceptibility is a superposed quantum state of the Ho spin
state at an avoided level crossing. Subsequently we will use
diamagnetic muons to measure directly the decoherence of this quantum state. This will
demonstrate that diamagnetic muons combined with state manipulation can identify and
measure quantum coherent states in bulk systems.
DOI: 10.3535/6gf-3zp-han
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/lyr-vpa-aab
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2400006
title: CANADA: Polarised neutron reflectometry of the helical magnetism in thin film MnGe

description: MnGe is a chiral magnetic material that potentially possesses multiple interesting topological states. Although the cubic B20 phase is not thermodynamically stable in bulk, we have used molecular beam epitaxy to synthesise the first magnetically isolated MnGe films using paramagnetic CrSi as a template layer, in place of the magnetic seed layers used by others. Preliminary polarised neutron reflectometry (PNR) performed at POLREF was complicated by the low contrast in the scattering length density between MnGe and the Si substrate. We propose to continue our investigation of the controversial phase diagram of MnGe thin films by producing new samples better suited for PNR. By increasing the thickness of the template layer, we show that the expected reflectivity is drastically increased. We will use PNR to probe a controversial low-temperature phase, and characterise the temperature dependence of the helical pitch. We will investigate how finite size effects affect the competition between discrete helicoids and other magnetic textures, and potentially find evidence for a novel chiral interaction predicted to exist in MnGe.
DOI: 10.5286/isis.e/isis.e.rb2400006-1
title: CANADA: Polarised neutron reflectometry of the helical magnetism in thin film MnGe

description: MnGe is a chiral magnetic material that potentially possesses multiple interesting topological states. Although the cubic B20 phase is not thermodynamically stable in bulk, we have used molecular beam epitaxy to synthesise the first magnetically isolated MnGe films using paramagnetic CrSi as a template layer, in place of the magnetic seed layers used by others. Preliminary polarised neutron reflectometry (PNR) performed at POLREF was complicated by the low contrast in the scattering length density between MnGe and the Si substrate. We propose to continue our investigation of the controversial phase diagram of MnGe thin films by producing new samples better suited for PNR. By increasing the thickness of the template layer, we show that the expected reflectivity is drastically increased. We will use PNR to probe a controversial low-temperature phase, and characterise the temperature dependence of the helical pitch. We will investigate how finite size effects affect the competition between discrete helicoids and other magnetic textures, and potentially find evidence for a novel chiral interaction predicted to exist in MnGe.
DOI: 10.5286/isis.e/isis.e.rb2410490
title: Probing and manipulating quantum states near an avoided level crossing in an isolated spin system.

description: We propose to use radio frequency manipulation to excite
and manipulate the state population at an avoided level crossing.
We can measure the isolated susceptibility in LiHo1-xYxF4 using transverse field
diamagnetic muons, where the isolated susceptibility is a superposed quantum state of the Ho spin
state at an avoided level crossing. Subsequently we will use
diamagnetic muons to measure directly the decoherence of this quantum state. This will
demonstrate that diamagnetic muons combined with state manipulation can identify and
measure quantum coherent states in bulk systems.
DOI: 10.3535/emq-l6y-mkq
title: Plantae

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/nkb-6w9-ysp
title: Sisymbrium irio L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e/isis.e.rb2410121
title: Erosion processes in Soils: Onset and propagation

description: This study aims to evaluate the microstructural changes that drive the erosion processes of an erodible soil during a pinhole test to develop new understanding of the role of compaction state and hydraulic history and efficiency of lime treatment method. It will enable assessment of the vulnerability of earthwork assets subjected to frequent flooding prone to progressive erosion (e.g. washout) as well as internal erosion processes of water retaining geostructures (e.g., river levees). While the macroscopic assessment of erodible soils under saturated conditions is relatively well established, the behaviour when the soil state departs partially saturated condition is neither well understood nor reported, but yet accounts for a large number of washout failures associated with extreme climate patterns.
DOI: 10.5286/isis.e/isis.e.rb2410121-1
title: Erosion processes in Soils: Onset and propagation

description: This study aims to evaluate the microstructural changes that drive the erosion processes of an erodible soil during a pinhole test to develop new understanding of the role of compaction state and hydraulic history and efficiency of lime treatment method. It will enable assessment of the vulnerability of earthwork assets subjected to frequent flooding prone to progressive erosion (e.g. washout) as well as internal erosion processes of water retaining geostructures (e.g., river levees). While the macroscopic assessment of erodible soils under saturated conditions is relatively well established, the behaviour when the soil state departs partially saturated condition is neither well understood nor reported, but yet accounts for a large number of washout failures associated with extreme climate patterns.