cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1920684-1
title: Direct search for high-energy excitations in ferrimagnetic CrCl2(pyz-d4)2

description: Although previous INS experiments on CrCl2(pyz)2 confirmed the magnetic origin of a weak dispersive low-energy mode below 1 meV, two major problems remain: (i) its energy scale is too low to be compatible with the ordering temperature. (ii) The weak scattering intensity does not match the high spin value of Cr(III). XAS and magnetization measurement suggest that the Cr ion and pyrazine are antiferromagnetically coupled, and density functional theory estimates the exchange coupling between them to be as high as 250 meV. Here we propose a direct search for a high energy excitation associated with this interaction. The excitation should have relatively high intensity based on the total moment sum rule. Observation of such a mode would provide strong evidence that the ferrimagnetism of CrCl2(pyz)2 is indeed due to strong antiferromagnetic exchange between chromium and pyrazine.
DOI: 10.5286/isis.e.rb1920702
title: Crystal field excitations to understand anisotropy behavior in new Ce based heavy fermions CeT4Al15 (T=Rh and Ir)

description: Recently we have synthesised new caged-type heavy fermion compounds CeT4Al15 (T=Rh and Ir) and investigated using bulk measurements. The low temperature susceptibility, heat capacity and resistivity measurements indicate that compound with T=Ir orders magnetically below 1.5 K, while that with T-Rh remains paramagnetic heavy fermion down to 0.3 K. Further high temperature susceptibility (T&gt;100 K) confirms an easy c-axis, but below 100 K, there is a crossover to easy a-axis. Thus, it is interesting to investigate the crystal field excitations (i.e. single ion anisotropy) and their temperature dependence using inelastic neutron scattering study on these compounds to understand the crossover behaviour of the susceptibility. We therefore, propose to investigate the CEF excitations in CeT4Al15 (T=Rh and Ir) on MERLIN.
DOI: 10.5286/isis.e.rb1920702-1
title: Crystal field excitations to understand anisotropy behavior in new Ce based heavy fermions CeT4Al15 (T=Rh and Ir)

description: Recently we have synthesised new caged-type heavy fermion compounds CeT4Al15 (T=Rh and Ir) and investigated using bulk measurements. The low temperature susceptibility, heat capacity and resistivity measurements indicate that compound with T=Ir orders magnetically below 1.5 K, while that with T-Rh remains paramagnetic heavy fermion down to 0.3 K. Further high temperature susceptibility (T&gt;100 K) confirms an easy c-axis, but below 100 K, there is a crossover to easy a-axis. Thus, it is interesting to investigate the crystal field excitations (i.e. single ion anisotropy) and their temperature dependence using inelastic neutron scattering study on these compounds to understand the crossover behaviour of the susceptibility. We therefore, propose to investigate the CEF excitations in CeT4Al15 (T=Rh and Ir) on MERLIN.
DOI: 10.7910/dvn/erohbv
title: gait analysis

description: asdgfasdgasd
DOI: 10.5286/isis.e.rb1920119
title: Transmigration of alternating amphiphilic polymers through lipid membranes

description: Polymers with a very balanced hydrophilicity can translocate through biological membranes without doing damage. This simulates natural metabolism, and, therefore, allow for targeting certain drugs or agents into the cell interior [1]. We have synthesized such balanced, alternating hydrophobic/hydrophilic polymers and proved their translocation through lipid bilayer using Pulsed Field Gradient NMR technique. However, with this technique we cant exclude that some part of the polymers is attracted by lipid bilayer and therefore excluded from transmigration process. Now we want to test if the attraction takes place in our system using small angle neutron scattering.[1] M. Werner, J.-U. Sommer, V. A. Baulin, Soft Matter 2012, 8, 11714
DOI: 10.5286/isis.e.rb1920452
title: Structural studies of iridium hydrides. Part 2.

description: Oil is currently the primary raw material for all the carbon containing chemicals we take for granted and which are necessary for our modern life: pharmaceuticals, plastics, food additives, pesticides etc. Today the more unreactive molecules in oil, alkanes, must first be converted into more reactive molecules, alkenes, in high temperature processes that are energetically demanding and go with low selectivity. These alkenes are then one of the main starting materials in the making of organic molecules and we need to learn how to convert alkanes to alkenes in a milder and more selective way. Using various iridium compounds, especially those containing an iridium-hydrogen bond, alkanes can be transformed into alkenes in a mild way. This project is about studying the catalysts, the iridium hydrides, to learn more about what controls their structure and in the long run their reactivity.
DOI: 10.5286/isis.e.rb1920452-1
title: Structural studies of iridium hydrides. Part 2.

description: Oil is currently the primary raw material for all the carbon containing chemicals we take for granted and which are necessary for our modern life: pharmaceuticals, plastics, food additives, pesticides etc. Today the more unreactive molecules in oil, alkanes, must first be converted into more reactive molecules, alkenes, in high temperature processes that are energetically demanding and go with low selectivity. These alkenes are then one of the main starting materials in the making of organic molecules and we need to learn how to convert alkanes to alkenes in a milder and more selective way. Using various iridium compounds, especially those containing an iridium-hydrogen bond, alkanes can be transformed into alkenes in a mild way. This project is about studying the catalysts, the iridium hydrides, to learn more about what controls their structure and in the long run their reactivity.
DOI: 10.5286/isis.e.rb1920565
title: Small-Angle Neutron Scattering studies of a bacterial colonization factor

description: We plan to carry out SANS experiments on a bacterial colonization factor to elucidate how it interacts with chitin, which is found on the surface of plankton and crustaceans. This will reveal how bacteria cling to aquatic organisms to survive in the water before infecting their mammalian host. Potential outcomes of this research are new drugs and vaccines.
DOI: 10.5286/isis.e.rb1920565-1
title: Small-Angle Neutron Scattering studies of a bacterial colonization factor

description: We plan to carry out SANS experiments on a bacterial colonization factor to elucidate how it interacts with chitin, which is found on the surface of plankton and crustaceans. This will reveal how bacteria cling to aquatic organisms to survive in the water before infecting their mammalian host. Potential outcomes of this research are new drugs and vaccines.
DOI: 10.5286/isis.e.rb1920719
title: QLCR Spectroscopy of Solid Nitrogen

description: Quadrupolar level crossing resonance (QLCR) occurs in the muSR of solids with diamagnetic muon states in close proximity to quadrupolar nuclei. This effect provides uniquely valuable sensitivity to charge states in muSR. Recent progress in the computation of muon states in materials using density functional theory (DFT+mu) can also be applied to predicting and interpreting QLCR spectra. Solid nitrogen provides an excellent example system to test these calculations against experiment. In our latest muon studies of solid nitrogen two key discoveries are firstly the presence of negative diamagnetic muon states, along with the usual positive states, and secondly an anomalously fast relaxation rate for some of the resonances. The QLCR spectra are strongly temperature dependent and further studies are needed to establish the full dependence and relate it to properties of the molecular solid
DOI: 10.5286/isis.e.rb1920719-1
title: QLCR Spectroscopy of Solid Nitrogen

description: Quadrupolar level crossing resonance (QLCR) occurs in the muSR of solids with diamagnetic muon states in close proximity to quadrupolar nuclei. This effect provides uniquely valuable sensitivity to charge states in muSR. Recent progress in the computation of muon states in materials using density functional theory (DFT+mu) can also be applied to predicting and interpreting QLCR spectra. Solid nitrogen provides an excellent example system to test these calculations against experiment. In our latest muon studies of solid nitrogen two key discoveries are firstly the presence of negative diamagnetic muon states, along with the usual positive states, and secondly an anomalously fast relaxation rate for some of the resonances. The QLCR spectra are strongly temperature dependent and further studies are needed to establish the full dependence and relate it to properties of the molecular solid
DOI: 10.17632/rj9vg3cg4p.1
title: Data for: Non-destructive assessment of chloride in persimmon leaves using a miniature visible near-infrared spectrometer
DOI: 10.5286/isis.e.rb1900109-2
title: Commissioning of electrochemical cell for neutron scattering: In-situ study of Li vs mesoporus carbon batteries.

description: There is an urgent need for to provide energy storage solutions in order for the world to switch form it's reliance on fossil fuels to renewable energy. This will allow us to store energy to provide energy at times when there is no wind to turn a wind turbine or no sun to illuminate a solar cell.Lithium-ion batteries provides an electrochemical solution to energy storage which, due to the high energy density is popular in portable applications such as in mobile phones, laptops and electric vehicles. The electrochemical cell to be commissioned in this proposal will allow for the study of many energy materials operando. In this experiment we have chosen to study a lithium ion battery. The range of lengthscales available using our electrochemical cell in combination with NIMROD will allow for us to elucidate the much speculated upon mechanisms of charge storage in the cell.
DOI: 10.5286/isis.e.rb1900140
title: RESUBMISSION : DNA hybridisation-mediated vesicle fusion - kinetics and fate of fusion

description: Controlled vesicle fusion has major advantages in diagnostic and drug delivery applications. We have designed a DNA hybridisation-based assay for directed fusion of vesicles upon mixing, and applied it in a recently published diagnostic assay to detect microRNA. In this proposal we propose static and stopped flow SANS experiments with contrast matching to study this DNA-mediated vesicle fusion mechanism and gain insight into 1) changes to vesicle shape in real time during fusion, and 2) mixing of the inner and outer membrane leaflets. We will confirm if DNA-functionalised liposomes proceed to hemi- or fully fused states, and if fusion can be controlled by modifying vesicle lipid composition and DNA concentration. The findings are essential to understand these vesicles fusion behaviour and can be directly applied to developing drug delivery vectors and diagnostic assays within our lab.
DOI: 10.5286/isis.e.rb1900140-1
title: RESUBMISSION : DNA hybridisation-mediated vesicle fusion - kinetics and fate of fusion

description: Controlled vesicle fusion has major advantages in diagnostic and drug delivery applications. We have designed a DNA hybridisation-based assay for directed fusion of vesicles upon mixing, and applied it in a recently published diagnostic assay to detect microRNA. In this proposal we propose static and stopped flow SANS experiments with contrast matching to study this DNA-mediated vesicle fusion mechanism and gain insight into 1) changes to vesicle shape in real time during fusion, and 2) mixing of the inner and outer membrane leaflets. We will confirm if DNA-functionalised liposomes proceed to hemi- or fully fused states, and if fusion can be controlled by modifying vesicle lipid composition and DNA concentration. The findings are essential to understand these vesicles fusion behaviour and can be directly applied to developing drug delivery vectors and diagnostic assays within our lab.
DOI: 10.5286/isis.e.rb1910435
title: Study of the Hollandite Bi1.7V8O16: a possible spin liquid candidate?

description: Bi1.7V8O16 is a member of the Hollandite family and its structure is base upon two sets of V4+ (S = 1/2) and V3+ (S = 1) chains. Bi1.7V8O16 undergoes a Metal-Insulator transition (MIT) around 62 K and one aspect in this transition is the presence of a charge density wave. Previous measurements indicate that this compound may stabilise a spin liquid ground state in its insulating phase. We would like to check this hypothesis by performing neutron inelastic scattering on a powder sample at low temperature and around the MI transition.
DOI: 10.5286/isis.e.rb1910435-1
title: Study of the Hollandite Bi1.7V8O16: a possible spin liquid candidate?

description: Bi1.7V8O16 is a member of the Hollandite family and its structure is base upon two sets of V4+ (S = 1/2) and V3+ (S = 1) chains. Bi1.7V8O16 undergoes a Metal-Insulator transition (MIT) around 62 K and one aspect in this transition is the presence of a charge density wave. Previous measurements indicate that this compound may stabilise a spin liquid ground state in its insulating phase. We would like to check this hypothesis by performing neutron inelastic scattering on a powder sample at low temperature and around the MI transition.
DOI: 10.5286/isis.e.rb1920119-1
title: Transmigration of alternating amphiphilic polymers through lipid membranes

description: Polymers with a very balanced hydrophilicity can translocate through biological membranes without doing damage. This simulates natural metabolism, and, therefore, allow for targeting certain drugs or agents into the cell interior [1]. We have synthesized such balanced, alternating hydrophobic/hydrophilic polymers and proved their translocation through lipid bilayer using Pulsed Field Gradient NMR technique. However, with this technique we cant exclude that some part of the polymers is attracted by lipid bilayer and therefore excluded from transmigration process. Now we want to test if the attraction takes place in our system using small angle neutron scattering.[1] M. Werner, J.-U. Sommer, V. A. Baulin, Soft Matter 2012, 8, 11714
DOI: 10.5286/isis.e.rb1920385
title: Morphological and microstructural characterization of three components of the south Gate of Firenze Baptistery through neutron imaging

description: The South Gate of Florence Baptistery is a 3 meters high gilded bronze artifact designed by Andrea Pisano and cast by Lorenzo DAvanzo and co-workers between 1329 and 1336. It is one of the oldest Middle Ages bronze gates in existence in Europe. In order to gain the highest amount of information about the gate manufacturing method, we plan to use neutron and muon techniques on three detached components. Our goal consists in the investigation of the casting and gilding manufacturing procedures by identifying: a) number and position of the casting channels; b) composition and homogeneity of the brass alloy in the different areas; c) general quality of the casting through the identification of the presence and size of bubbles, flaws and defects; d) composition and thickness of the mercury amalgam gilding. Neutron imaging will be used to ansewer questions "a" and "c".
DOI: 10.5286/isis.e.rb1920385-1
title: Morphological and microstructural characterization of three components of the south Gate of Firenze Baptistery through neutron imaging

description: The South Gate of Florence Baptistery is a 3 meters high gilded bronze artifact designed by Andrea Pisano and cast by Lorenzo DAvanzo and co-workers between 1329 and 1336. It is one of the oldest Middle Ages bronze gates in existence in Europe. In order to gain the highest amount of information about the gate manufacturing method, we plan to use neutron and muon techniques on three detached components. Our goal consists in the investigation of the casting and gilding manufacturing procedures by identifying: a) number and position of the casting channels; b) composition and homogeneity of the brass alloy in the different areas; c) general quality of the casting through the identification of the presence and size of bubbles, flaws and defects; d) composition and thickness of the mercury amalgam gilding. Neutron imaging will be used to ansewer questions "a" and "c".
DOI: 10.5286/isis.e.rb1920729
title: Correlative Imaging of Plant Roots using Neutrons and X-rays

description: The interactions between plant roots and soil are an area of active research, particularly in terms of water and nutrient uptake. Since non-invasive, in vivo studies are required, tomographic imaging appears an obvious method to use, but no one imaging modality is well suited to capture the complete system. X-ray imaging gives clear insight to soil structure and composition, however water is comparatively transparent to X-rays and biological matter also displays poor contrast with respect to the pores between soil particles. Neutron imaging presents a complementary view where water and biological matter are better distinguished but the soil minerals are not imaged as clearly as they would be with X-rays. This work aims to develop robust methods for correlative imaging of Plant Roots using Neutrons and X-rays.
DOI: 10.5286/isis.e.rb1920729-1
title: Correlative Imaging of Plant Roots using Neutrons and X-rays

description: The interactions between plant roots and soil are an area of active research, particularly in terms of water and nutrient uptake. Since non-invasive, in vivo studies are required, tomographic imaging appears an obvious method to use, but no one imaging modality is well suited to capture the complete system. X-ray imaging gives clear insight to soil structure and composition, however water is comparatively transparent to X-rays and biological matter also displays poor contrast with respect to the pores between soil particles. Neutron imaging presents a complementary view where water and biological matter are better distinguished but the soil minerals are not imaged as clearly as they would be with X-rays. This work aims to develop robust methods for correlative imaging of Plant Roots using Neutrons and X-rays.
DOI: 10.5286/isis.e.rb1910322
title: Depth profiling fullerene-free organic solar cell blends using neutron reflectivity

description: In Sheffield, 9% efficient organic solar cells have been made using a new non-fullerene acceptor called ITIC, when blended with semiconducting polymers. GIWAXS measurements have shown that processing conditions such as choice of casting solvent and annealing conditions significantly change the horizontal morphology of the blend films. We expect these processing conditions to influence the vertical structure too as this has been seen for more well-studied systems. The vertical composition of the blend film is known to play a crucial role in the resulting device performance. Neutron reflectivity is therefore essential to probe the vertical structure, providing information inaccessible through other experiments. Together with our accepted SANS beam time we will gain a well-rounded picture, allowing us to understand the importance of processing-morphology-device performance relationships.
DOI: 10.5286/isis.e.rb1910322-1
title: Depth profiling fullerene-free organic solar cell blends using neutron reflectivity

description: In Sheffield, 9% efficient organic solar cells have been made using a new non-fullerene acceptor called ITIC, when blended with semiconducting polymers. GIWAXS measurements have shown that processing conditions such as choice of casting solvent and annealing conditions significantly change the horizontal morphology of the blend films. We expect these processing conditions to influence the vertical structure too as this has been seen for more well-studied systems. The vertical composition of the blend film is known to play a crucial role in the resulting device performance. Neutron reflectivity is therefore essential to probe the vertical structure, providing information inaccessible through other experiments. Together with our accepted SANS beam time we will gain a well-rounded picture, allowing us to understand the importance of processing-morphology-device performance relationships.
DOI: 10.5286/isis.e.rb1920124
title: Investigation of single ion crystal field anisotropy in heavy fermion compounds CeIr3B2 and PrIr3B2

description: The ferromagnetic transition Tc=41 K of CeIr3B2 is the second highest Tc recorded after CeRh3B2 in among Ce-based compounds makes it an interesting candidate to investigate using inelastic neutron scattering (INS). The isostructural PrIr3B2 compound also exhibits magnetic ordering at TN=10 K in addition to expected structural transition at 280 K. The susceptibility of these compounds exhibits considerable strong anisotropy. Interestingly the susceptibility of CeIr3B2 reveals a crossover behavior at high temperature (250 K) from easy ab-plane to hard c-axis. Therefore, the detailed study of crystal field excitations (CEF) using INS on MERLIN is proposed to explore the role of CEF anisotropy on the magnetic ground state. This study will be helpful to explain the role of CEF anisotropy in the observed behavior of the magnetic susceptibility and will shed light on the crossover behavior.
DOI: 10.5286/isis.e.rb1920224
title: Technological study of ancient Byzantine 12 Nummi coins  Part I

description: Byzantine bronze coins (6th cent. AD) minted in Alexandria, and now in the Kunsthistorisches Museum Vienna, are studied with focus on technological aspects. For the leaded bronze alloys, the formation of inhomogeneous phase distributions (Cu-Sn and Pb based phases) during the casting of the blanks is to be expected. Non-destructive investigations of the bulk compositions, the distribution of the Pb rich phase, and the textures of the coins are very important for numismatics to better understand the traditions of coin production in Byzantine antiquity up to the 6th century AD. The project requires joint-up neutron imaging and diffraction analyses, and as museum objects cannot be easily transported to large scale facilities for analyses it seems highly appropriate to combine tomography studies on the newly installed IMAT instrument with diffraction measurements on the same objects on GEM.
DOI: 10.5286/isis.e.rb1920224-1
title: Technological study of ancient Byzantine 12 Nummi coins  Part I

description: Byzantine bronze coins (6th cent. AD) minted in Alexandria, and now in the Kunsthistorisches Museum Vienna, are studied with focus on technological aspects. For the leaded bronze alloys, the formation of inhomogeneous phase distributions (Cu-Sn and Pb based phases) during the casting of the blanks is to be expected. Non-destructive investigations of the bulk compositions, the distribution of the Pb rich phase, and the textures of the coins are very important for numismatics to better understand the traditions of coin production in Byzantine antiquity up to the 6th century AD. The project requires joint-up neutron imaging and diffraction analyses, and as museum objects cannot be easily transported to large scale facilities for analyses it seems highly appropriate to combine tomography studies on the newly installed IMAT instrument with diffraction measurements on the same objects on GEM.
DOI: 10.5286/isis.e.rb1920572
title: Quasi-Elastic Neutron Scattering on adenine-based gold(I) hydrogel-entangled water molecules

description: The hydrogelation of gold(I) complexes is a fascinating albeit still underdeveloped area of soft matter chemistry, with feasible high-technology applications based on the unique properties of this metal. Although the scarce number of reported examples so far has been thoroughly studied by a wide plethora of techniques, there is a general lack of information on how water molecules assist the formation of the supramolecular hydrogelating motifs (which are commonly fibers). Herein, we propose the in-depth study of the dynamical behaviour of water and the hydrogel matrix in three of adenine-based gold(I) low molecular weight hydrometallogelators, by quasi-elastic neutron scattering (QENS).